diff --git a/Framework/API/inc/MantidAPI/AlgorithmHistory.h b/Framework/API/inc/MantidAPI/AlgorithmHistory.h
index 7b9208a96c82cabad1c6fcd702a4b77a567ed5c9..583d66e18f70765e89a2d84285eefc4686ee61e5 100644
--- a/Framework/API/inc/MantidAPI/AlgorithmHistory.h
+++ b/Framework/API/inc/MantidAPI/AlgorithmHistory.h
@@ -27,7 +27,7 @@ namespace Detail {
// needing to know the implementation of CompareHistory.
template <class T> struct CompareHistory {
bool operator()(const boost::shared_ptr<T> &lhs,
- const boost::shared_ptr<T> &rhs) {
+ const boost::shared_ptr<T> &rhs) const {
return (*lhs) < (*rhs);
}
};
diff --git a/Framework/API/inc/MantidAPI/NumericAxis.h b/Framework/API/inc/MantidAPI/NumericAxis.h
index 4585a3c8278c922cafcba6a4f76108e246eb29b3..0c915d5f4b5fd1e7ebec8214fe83a36b556098a0 100644
--- a/Framework/API/inc/MantidAPI/NumericAxis.h
+++ b/Framework/API/inc/MantidAPI/NumericAxis.h
@@ -44,10 +44,6 @@ class MatrixWorkspace;
*/
class MANTID_API_DLL NumericAxis : public Axis {
public:
- /// Find the index of the value in the given set of edges
- static size_t indexOfValue(const double value,
- const std::vector<double> &edges);
-
NumericAxis(const std::size_t &length);
NumericAxis(const std::vector<double> ¢res);
@@ -86,10 +82,6 @@ protected:
private:
/// Private, undefined copy assignment operator
const NumericAxis &operator=(const NumericAxis &);
-
- /// A vector holding the edge values, computed from the distance between
- /// values
- std::vector<double> m_edges;
};
} // namespace API
diff --git a/Framework/API/src/Algorithm.cpp b/Framework/API/src/Algorithm.cpp
index 795addd969ac721041278f3aabd435256340af8d..22239ea2e19b5fbc61d4647d2ff60a2e76503683 100644
--- a/Framework/API/src/Algorithm.cpp
+++ b/Framework/API/src/Algorithm.cpp
@@ -1711,7 +1711,7 @@ void Algorithm::execMasterOnly() {
* non-master ranks in master-only execution. */
void Algorithm::execNonMaster() {
// If there is no output we can simply do nothing.
- if (m_pureOutputWorkspaceProps.size() == 0)
+ if (m_pureOutputWorkspaceProps.empty())
return;
// Does Algorithm have exactly one input and one output workspace property?
if (m_inputWorkspaceProps.size() == 1 &&
diff --git a/Framework/API/src/BinEdgeAxis.cpp b/Framework/API/src/BinEdgeAxis.cpp
index 980f44ca1600860ee8fe578690a0cd6cb07a9871..2803967e421d0aea95135bb06f1845cc01c8f0fe 100644
--- a/Framework/API/src/BinEdgeAxis.cpp
+++ b/Framework/API/src/BinEdgeAxis.cpp
@@ -1,5 +1,6 @@
#include "MantidAPI/BinEdgeAxis.h"
#include "MantidKernel/Exception.h"
+#include "MantidKernel/VectorHelper.h"
namespace Mantid {
namespace API {
@@ -76,10 +77,9 @@ void BinEdgeAxis::setValue(const std::size_t &index, const double &value) {
* the value falls into. The maximum value will always be length() - 1
* @param value A value on the axis
* @return The index closest to given value
- * @throws std::out_of_range if the value is out of range of the axis
*/
size_t BinEdgeAxis::indexOfValue(const double value) const {
- return NumericAxis::indexOfValue(value, m_values);
+ return Mantid::Kernel::VectorHelper::indexOfValueFromEdges(m_values, value);
}
} // namespace API
diff --git a/Framework/API/src/DetectorSearcher.cpp b/Framework/API/src/DetectorSearcher.cpp
index 76d8f93ebde94c6401f725623b7312ce259264d0..6170612c8930c7bb2f62217ece071b2444bc7cfe 100644
--- a/Framework/API/src/DetectorSearcher.cpp
+++ b/Framework/API/src/DetectorSearcher.cpp
@@ -148,7 +148,7 @@ DetectorSearcher::searchUsingNearestNeighbours(const V3D &q) {
// find where this Q vector should intersect with "extended" space
const auto neighbours =
m_detectorCacheSearch->findNearest(Eigen::Vector3d(q[0], q[1], q[2]), 5);
- if (neighbours.size() == 0)
+ if (neighbours.empty())
return std::make_tuple(false, 0);
const auto result = checkInteceptWithNeighbours(detectorDir, neighbours);
diff --git a/Framework/API/src/IndexTypeProperty.cpp b/Framework/API/src/IndexTypeProperty.cpp
index df454100350d4ab71ce1c45378f118277c757c7d..7a45c4741b78f912e8a8650e3c810070a876abcb 100644
--- a/Framework/API/src/IndexTypeProperty.cpp
+++ b/Framework/API/src/IndexTypeProperty.cpp
@@ -10,7 +10,7 @@ IndexTypeProperty::IndexTypeProperty(const std::string &name,
if (indexType & IndexType::SpectrumNum)
m_allowedValues.push_back("SpectrumNumber");
- if (m_allowedValues.size() == 0)
+ if (m_allowedValues.empty())
throw std::invalid_argument("Argument indexType incorrectly specified");
m_value = m_allowedValues[0];
diff --git a/Framework/API/src/MatrixWorkspace.cpp b/Framework/API/src/MatrixWorkspace.cpp
index 2a1794eb532b86a58fcf5e927b5977f18d57a124..c07904a0494dddf5f2d9e7a94e421caa57f69130 100644
--- a/Framework/API/src/MatrixWorkspace.cpp
+++ b/Framework/API/src/MatrixWorkspace.cpp
@@ -239,7 +239,7 @@ void MatrixWorkspace::initialize(const std::size_t &NVectors,
void MatrixWorkspace::initialize(const std::size_t &NVectors,
const HistogramData::Histogram &histogram) {
// Check validity of arguments
- if (NVectors == 0 || histogram.x().size() == 0) {
+ if (NVectors == 0 || histogram.x().empty()) {
throw std::out_of_range(
"All arguments to init must be positive and non-zero");
}
diff --git a/Framework/API/src/NumericAxis.cpp b/Framework/API/src/NumericAxis.cpp
index d241d1df3736d670d73fdcda1b731d38418157c8..d50e5f31670df66febfbf9ac0e7861b963793999 100644
--- a/Framework/API/src/NumericAxis.cpp
+++ b/Framework/API/src/NumericAxis.cpp
@@ -32,57 +32,29 @@ namespace Mantid {
namespace API {
//------------------------------------------------------------------------------
-// static members
+// public members
//------------------------------------------------------------------------------
-/**
+/** Returns the index of the value wrt bin edge representation of the axis
* @param value A value to find in a bin
- * @param edges A list of edges that define the bins
* @return The index of the bin holding the value
*/
-size_t NumericAxis::indexOfValue(const double value,
- const std::vector<double> &edges) {
- if (value < edges.front()) {
- throw std::out_of_range(
- "NumericAxis::indexOfValue() - Input lower than first value.");
- }
- auto it = std::lower_bound(edges.begin(), edges.end(), value);
- if (it == edges.end()) {
- // Out of range
- throw std::out_of_range(
- "NumericAxis::indexOfValue() - Input value out of range");
- }
- // index of closest edge above value is distance of iterator from start
- size_t edgeIndex = std::distance(edges.begin(), it);
- // index of bin centre is one less since the first boundary offsets the whole
- // range
- // need to protect for case where value equals lowest bin boundary as that
- // will return &
- // not 1
- if (edgeIndex > 0)
- return edgeIndex - 1;
- else
- return edgeIndex;
+size_t NumericAxis::indexOfValue(const double value) const {
+ return Mantid::Kernel::VectorHelper::indexOfValueFromCenters(m_values, value);
}
-//------------------------------------------------------------------------------
-// public members
-//------------------------------------------------------------------------------
-
/** Constructor
* @param length size of the numeric axis
*/
NumericAxis::NumericAxis(const std::size_t &length)
- : Axis(), m_values(length), m_edges(length + 1) {}
+ : Axis(), m_values(length) {}
/**
* Constructor taking a set of centre point values
* @param centres A vector of values to assign to the axis
*/
NumericAxis::NumericAxis(const std::vector<double> ¢res)
- : Axis(), m_values(centres), m_edges(centres.size() + 1) {
- Kernel::VectorHelper::convertToBinBoundary(m_values, m_edges);
-}
+ : Axis(), m_values(centres) {}
/** Virtual constructor
* @param parentWorkspace :: The workspace is not used in this implementation
@@ -100,8 +72,6 @@ Axis *NumericAxis::clone(const std::size_t length,
auto newAxis = new NumericAxis(*this);
newAxis->m_values.clear();
newAxis->m_values.resize(length);
- newAxis->m_edges.clear();
- newAxis->m_edges.resize(length + 1);
return newAxis;
}
@@ -135,20 +105,6 @@ void NumericAxis::setValue(const std::size_t &index, const double &value) {
}
m_values[index] = value;
- // Recompute edges. Inefficient but we want this method to disappear in favour
- // of passing all values to the constructor
- Kernel::VectorHelper::convertToBinBoundary(m_values, m_edges);
-}
-
-/**
- * Treats values as bin centres and computes bin widths from the surrounding
- * values. The index returned is the index of the bin
- * @param value A value on the axis
- * @return The index closest to given value
- * @throws std::out_of_range if the value is out of range of the axis
- */
-size_t NumericAxis::indexOfValue(const double value) const {
- return this->indexOfValue(value, m_edges);
}
/** Check if two axis defined as spectra or numeric axis are equivalent
@@ -208,7 +164,10 @@ std::string NumericAxis::label(const std::size_t &index) const {
* @returns A vector of bin boundaries
*/
std::vector<double> NumericAxis::createBinBoundaries() const {
- return this->m_edges;
+ std::vector<double> result;
+ result.reserve(m_values.size());
+ Kernel::VectorHelper::convertToBinBoundary(m_values, result);
+ return result;
}
/** Get a const reference to the vector of values in this axis
@@ -222,7 +181,7 @@ const std::vector<double> &NumericAxis::getValues() const { return m_values; }
//------------------------------------------------------------------------------
/**
- * Sets both values & edges vectors to zero size
+ * Sets values vectors to zero size
*/
NumericAxis::NumericAxis() {}
diff --git a/Framework/API/src/SpectraAxis.cpp b/Framework/API/src/SpectraAxis.cpp
index b7e55234a2ffcf4182c75f82a0d61436267af1a3..65fa6836ecdc836e1d995cc8bdac836ea4032c78 100644
--- a/Framework/API/src/SpectraAxis.cpp
+++ b/Framework/API/src/SpectraAxis.cpp
@@ -7,6 +7,7 @@
#include "MantidKernel/MultiThreaded.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/Unit.h"
+#include "MantidKernel/VectorHelper.h"
#include <boost/lexical_cast.hpp>
@@ -86,7 +87,6 @@ void SpectraAxis::setValue(const std::size_t &index, const double &value) {
* @param value A value on the axis. It is treated as a spectrum number and cast
* to specnum_t on input
* @return The index closest to given value
- * @throws std::out_of_range if the value is out of range of the axis
*/
size_t SpectraAxis::indexOfValue(const double value) const {
if (m_edges.empty()) // lazy-instantiation
@@ -101,7 +101,7 @@ size_t SpectraAxis::indexOfValue(const double value) const {
m_edges[npts] = this->getValue(npts - 1) +
(this->getValue(npts - 1) - m_edges[npts - 1]);
}
- return NumericAxis::indexOfValue(value, m_edges);
+ return Mantid::Kernel::VectorHelper::indexOfValueFromEdges(m_edges, value);
}
/** Returns the spectrum number at the position given (Spectra axis only)
diff --git a/Framework/API/test/ExperimentInfoTest.h b/Framework/API/test/ExperimentInfoTest.h
index 32641603bb174b00cdbab216bae60334fc871ea0..2f0a841dc8842b04224a997c2ddf7e08bb39bf53 100644
--- a/Framework/API/test/ExperimentInfoTest.h
+++ b/Framework/API/test/ExperimentInfoTest.h
@@ -467,7 +467,7 @@ public:
mappings.emplace(1, std::set<Mantid::detid_t>{2});
expt.cacheDetectorGroupings(mappings);
- size_t index;
+ size_t index{0};
TS_ASSERT_THROWS_NOTHING(index = expt.groupOfDetectorID(1));
TS_ASSERT_EQUALS(index, 0);
}
diff --git a/Framework/Algorithms/CMakeLists.txt b/Framework/Algorithms/CMakeLists.txt
index 94f820fdb7f92358824b5aa92021890ed7421ad9..bd8005bc7448d1e3871dbc9adb5c711be7950375 100644
--- a/Framework/Algorithms/CMakeLists.txt
+++ b/Framework/Algorithms/CMakeLists.txt
@@ -26,7 +26,7 @@ set ( SRC_FILES
src/CalculateEfficiency.cpp
src/CalculateFlatBackground.cpp
src/CalculateMuonAsymmetry.cpp
- src/CalculateResolution.cpp
+ src/NRCalculateSlitResolution.cpp
src/CalculateSlits.cpp
src/CalculateTransmission.cpp
src/CalculateTransmissionBeamSpreader.cpp
@@ -160,6 +160,7 @@ set ( SRC_FILES
src/IQTransform.cpp
src/IdentifyNoisyDetectors.cpp
src/IntegrateByComponent.cpp
+ src/IntegrateEPP.cpp
src/Integration.cpp
src/InterpolatingRebin.cpp
src/InterpolationOption.cpp
@@ -283,6 +284,7 @@ set ( SRC_FILES
src/SpectrumAlgorithm.cpp
src/SpecularReflectionAlgorithm.cpp
src/SpecularReflectionCalculateTheta.cpp
+ src/SpecularReflectionCalculateTheta2.cpp
src/SpecularReflectionPositionCorrect.cpp
src/SpecularReflectionPositionCorrect2.cpp
src/SphericalAbsorption.cpp
@@ -347,7 +349,7 @@ set ( INC_FILES
inc/MantidAlgorithms/CalculateEfficiency.h
inc/MantidAlgorithms/CalculateFlatBackground.h
inc/MantidAlgorithms/CalculateMuonAsymmetry.h
- inc/MantidAlgorithms/CalculateResolution.h
+ inc/MantidAlgorithms/NRCalculateSlitResolution.h
inc/MantidAlgorithms/CalculateSlits.h
inc/MantidAlgorithms/CalculateTransmission.h
inc/MantidAlgorithms/CalculateTransmissionBeamSpreader.h
@@ -482,6 +484,7 @@ set ( INC_FILES
inc/MantidAlgorithms/IQTransform.h
inc/MantidAlgorithms/IdentifyNoisyDetectors.h
inc/MantidAlgorithms/IntegrateByComponent.h
+ inc/MantidAlgorithms/IntegrateEPP.h
inc/MantidAlgorithms/Integration.h
inc/MantidAlgorithms/InterpolatingRebin.h
inc/MantidAlgorithms/InterpolationOption.h
@@ -609,6 +612,7 @@ set ( INC_FILES
inc/MantidAlgorithms/SpectrumAlgorithm.h
inc/MantidAlgorithms/SpecularReflectionAlgorithm.h
inc/MantidAlgorithms/SpecularReflectionCalculateTheta.h
+ inc/MantidAlgorithms/SpecularReflectionCalculateTheta2.h
inc/MantidAlgorithms/SpecularReflectionPositionCorrect.h
inc/MantidAlgorithms/SpecularReflectionPositionCorrect2.h
inc/MantidAlgorithms/SphericalAbsorption.h
@@ -683,7 +687,7 @@ set ( TEST_FILES
CalculateEfficiencyTest.h
CalculateFlatBackgroundTest.h
CalculateMuonAsymmetryTest.h
- CalculateResolutionTest.h
+ NRCalculateSlitResolutionTest.h
CalculateSlitsTest.h
CalculateTransmissionBeamSpreaderTest.h
CalculateTransmissionTest.h
@@ -813,6 +817,7 @@ set ( TEST_FILES
IQTransformTest.h
IdentifyNoisyDetectorsTest.h
IntegrateByComponentTest.h
+ IntegrateEPPTest.h
IntegrationTest.h
InterpolatingRebinTest.h
InterpolationOptionTest.h
@@ -920,6 +925,7 @@ set ( TEST_FILES
SparseInstrumentTest.h
SpatialGroupingTest.h
SpecularReflectionCalculateThetaTest.h
+ SpecularReflectionCalculateTheta2Test.h
SpecularReflectionPositionCorrect2Test.h
SpecularReflectionPositionCorrectTest.h
SphericalAbsorptionTest.h
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/ApodizationFunctions.h b/Framework/Algorithms/inc/MantidAlgorithms/ApodizationFunctions.h
index 890eacac88b6c3eb3ba1c20b4854b2b162406a27..4ed70ba322b381d664fa5db4ad306a188032d493 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/ApodizationFunctions.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/ApodizationFunctions.h
@@ -36,10 +36,12 @@ Code Documentation is available at: <http://doxygen.mantidproject.org>
namespace Mantid {
namespace Algorithms {
+namespace ApodizationFunctions {
double lorentz(double time, double decayConstant);
double gaussian(const double time, const double decayConstant);
double none(const double, const double);
}
}
+}
#endif /*MANTID_APODIZATIONFUNCTIONS_H_*/
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/DetectorEfficiencyCorUser.h b/Framework/Algorithms/inc/MantidAlgorithms/DetectorEfficiencyCorUser.h
index fc3ea9e400e086797f13c1ebf2a9b2d6e5a0eff9..d37642568e5bcd836788de722336507fc0aa11a9 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/DetectorEfficiencyCorUser.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/DetectorEfficiencyCorUser.h
@@ -4,10 +4,17 @@
#include "MantidAPI/Algorithm.h"
#include "MantidKernel/cow_ptr.h"
+// Forward declarations
+namespace mu {
+class Parser;
+} // namespace mu
+
namespace Mantid {
namespace HistogramData {
class Histogram;
+class HistogramE;
+class HistogramY;
class Points;
}
@@ -61,15 +68,14 @@ private:
void init() override;
void exec() override;
void retrieveProperties();
- double calculateFormulaValue(const std::string &formula, double energy);
- MantidVec calculateEfficiency(double eff0, const std::string &formula,
- const HistogramData::Points &xIn);
+ void correctHistogram(const size_t index, const double eff0, double &e,
+ mu::Parser &parser);
+
+ double evaluate(const mu::Parser &parser) const;
- std::string getValFromInstrumentDef(const std::string ¶meterName);
+ mu::Parser generateParser(const std::string &formula, double *e) const;
- HistogramData::Histogram
- applyDetEfficiency(const size_t nChans, const Mantid::MantidVec &effVec,
- const HistogramData::Histogram &histogram);
+ std::string retrieveFormula(const size_t workspaceIndex);
/// The user selected (input) workspace
API::MatrixWorkspace_const_sptr m_inputWS;
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h b/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h
index 90c4ec13bfe0b62e191dc8cf81435e491577e087..636af33e7c6daba7d1697411550256012be0d97c 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h
@@ -11,10 +11,12 @@
#include "MantidAPI/IPeakFunction.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidKernel/cow_ptr.h"
+#include "MantidIndexing/SpectrumIndexSet.h"
namespace Mantid {
namespace HistogramData {
+class Histogram;
class HistogramX;
class HistogramY;
}
@@ -102,12 +104,14 @@ private:
const std::vector<double> &fitwindows);
/// Methods searving for findPeaksUsingMariscotti()
- API::MatrixWorkspace_sptr
+ std::vector<HistogramData::Histogram>
calculateSecondDifference(const API::MatrixWorkspace_const_sptr &input);
- void smoothData(API::MatrixWorkspace_sptr &WS, const int &w);
- void calculateStandardDeviation(const API::MatrixWorkspace_const_sptr &input,
- const API::MatrixWorkspace_sptr &smoothed,
- const int &w);
+ void smoothData(std::vector<HistogramData::Histogram> &histograms,
+ const int w, const int g_z);
+ void
+ calculateStandardDeviation(const API::MatrixWorkspace_const_sptr &input,
+ std::vector<HistogramData::Histogram> &smoothed,
+ const int &w);
long long computePhi(const int &w) const;
/// Fit peak confined in a given window (x-min, x-max)
@@ -204,10 +208,9 @@ private:
std::unique_ptr<API::Progress> m_progress = nullptr;
// Properties saved in the algo.
- API::MatrixWorkspace_sptr m_dataWS; ///<workspace to check for peaks
- int m_inputPeakFWHM; ///<holder for the requested peak FWHM
- int m_wsIndex; ///<list of workspace indicies to check
- bool singleSpectrum; ///<flag for if only a single spectrum is present
+ API::MatrixWorkspace_sptr m_dataWS; ///<workspace to check for peaks
+ int m_inputPeakFWHM; ///<holder for the requested peak FWHM
+ Indexing::SpectrumIndexSet m_indexSet; ///<list of workspace indicies to check
bool m_highBackground; ///<flag for find relatively weak peak in high
/// background
bool m_rawPeaksTable; ///<flag for whether the output is the raw peak
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/IntegrateEPP.h b/Framework/Algorithms/inc/MantidAlgorithms/IntegrateEPP.h
new file mode 100644
index 0000000000000000000000000000000000000000..074fa8b52edc3a0455b3a0a8c319dd1fb5fa0d90
--- /dev/null
+++ b/Framework/Algorithms/inc/MantidAlgorithms/IntegrateEPP.h
@@ -0,0 +1,50 @@
+#ifndef MANTID_ALGORITHMS_INTEGRATEEPP_H_
+#define MANTID_ALGORITHMS_INTEGRATEEPP_H_
+
+#include "MantidAlgorithms/DllConfig.h"
+#include "MantidAPI/Algorithm.h"
+
+namespace Mantid {
+namespace Algorithms {
+
+/** IntegrateEPP : Integrate a workspace around the elastic peak positions
+ given by a EPP table.
+
+ Copyright © 2017 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
+ National Laboratory & European Spallation Source
+
+ This file is part of Mantid.
+
+ Mantid is free software; you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation; either version 3 of the License, or
+ (at your option) any later version.
+
+ Mantid is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <http://www.gnu.org/licenses/>.
+
+ File change history is stored at: <https://github.com/mantidproject/mantid>
+ Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class MANTID_ALGORITHMS_DLL IntegrateEPP : public API::Algorithm {
+public:
+ const std::string name() const override;
+ int version() const override;
+ const std::string category() const override;
+ const std::string summary() const override;
+
+private:
+ void init() override;
+ void exec() override;
+ std::map<std::string, std::string> validateInputs() override;
+};
+
+} // namespace Algorithms
+} // namespace Mantid
+
+#endif /* MANTID_ALGORITHMS_INTEGRATEEPP_H_ */
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/MergeRuns.h b/Framework/Algorithms/inc/MantidAlgorithms/MergeRuns.h
index a90558b4e6bce4972b34c19695d643c44c4f4008..e09a84f57bef8f436e77365ab422fdbe3a36ad66 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/MergeRuns.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/MergeRuns.h
@@ -141,6 +141,9 @@ private:
API::MatrixWorkspace_sptr
rebinInput(const API::MatrixWorkspace_sptr &workspace,
const std::vector<double> ¶ms);
+ API::MatrixWorkspace_sptr
+ buildScanningOutputWorkspace(const API::MatrixWorkspace_sptr &outWS,
+ const API::MatrixWorkspace_sptr &addee);
/// Progress reporting
std::unique_ptr<API::Progress> m_progress;
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/CalculateResolution.h b/Framework/Algorithms/inc/MantidAlgorithms/NRCalculateSlitResolution.h
similarity index 83%
rename from Framework/Algorithms/inc/MantidAlgorithms/CalculateResolution.h
rename to Framework/Algorithms/inc/MantidAlgorithms/NRCalculateSlitResolution.h
index 7a110f0cf1acd797268035ff0dedc7ea28a82df3..e8f6eeab26bd38282bb880220c4761f68af15985 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/CalculateResolution.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/NRCalculateSlitResolution.h
@@ -1,5 +1,5 @@
-#ifndef MANTID_ALGORITHMS_CALCULATERESOLUTION_H_
-#define MANTID_ALGORITHMS_CALCULATERESOLUTION_H_
+#ifndef MANTID_ALGORITHMS_NRCALCULATESLITRESOLUTION_H_
+#define MANTID_ALGORITHMS_NRCALCULATESLITRESOLUTION_H_
#include "MantidKernel/System.h"
#include "MantidAPI/Algorithm.h"
@@ -9,7 +9,7 @@
namespace Mantid {
namespace Algorithms {
-/** CalculateResolution
+/** NRCalculateSlitResolution
Copyright © 2014 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -33,7 +33,7 @@ File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DLLExport CalculateResolution : public API::DataProcessorAlgorithm {
+class DLLExport NRCalculateSlitResolution : public API::DataProcessorAlgorithm {
public:
const std::string name() const override;
int version() const override;
@@ -48,4 +48,4 @@ private:
} // namespace Algorithms
} // namespace Mantid
-#endif /* MANTID_ALGORITHMS_CALCULATERESOLUTION_H_ */
+#endif /* MANTID_ALGORITHMS_NRCALCULATESLITRESOLUTION_H_ */
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h b/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
index 7c9aa809d1604520a24a14c59e89ae1c4966700e..49a8f680da0f60ef7bbbee69bdc303e11b73c018 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/ReflectometryReductionOne2.h
@@ -8,6 +8,9 @@ namespace Mantid {
namespace API {
class SpectrumInfo;
}
+namespace Geometry {
+class ReferenceFrame;
+}
namespace HistogramData {
class HistogramX;
class HistogramY;
@@ -88,6 +91,8 @@ private:
// convert to momentum transfer
Mantid::API::MatrixWorkspace_sptr
convertToQ(Mantid::API::MatrixWorkspace_sptr inputWS);
+ // Get the twoTheta width of a given detector
+ double getDetectorTwoThetaRange(const size_t spectrumIdx);
// Utility function to create name for diagnostic workspaces
std::string createDebugWorkspaceName(const std::string &inputName);
// Utility function to output a diagnostic workspace to the ADS
@@ -152,6 +157,7 @@ private:
API::MatrixWorkspace_sptr m_runWS;
const API::SpectrumInfo *m_spectrumInfo;
+ boost::shared_ptr<const Mantid::Geometry::ReferenceFrame> m_refFrame;
bool m_convertUnits; // convert the input workspace to lambda
bool m_normaliseMonitors; // normalise by monitors and direct beam
bool m_normaliseTransmission; // transmission or algorithmic correction
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/RemoveBins.h b/Framework/Algorithms/inc/MantidAlgorithms/RemoveBins.h
index 89480678e4fcb80d671e5c43dd48d43684058087..79fa181b28f224c50297b7bdd67132bf0f538ffe 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/RemoveBins.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/RemoveBins.h
@@ -3,7 +3,6 @@
#include "MantidAPI/Algorithm.h"
#include "MantidKernel/Unit.h"
-#include "MantidKernel/cow_ptr.h"
namespace Mantid {
namespace HistogramData {
@@ -80,9 +79,9 @@ public:
private:
// Overridden Algorithm methods
void init() override;
+ std::map<std::string, std::string> validateInputs() override;
void exec() override;
- void checkProperties();
void crop(const double &start, const double &end);
void transformRangeUnit(const int index, double &startX, double &endX);
void calculateDetectorPosition(const int index, double &l1, double &l2,
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h b/Framework/Algorithms/inc/MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h
index 8f961e0ae2a2328e1b326811aec20093d0b8f580..ba4006dc86d0f6c07cde40ebe7d40347ec39a557 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h
@@ -52,11 +52,13 @@ public:
private:
size_t m_numberSpectra;
+ size_t m_numberDetectors;
std::string m_xUnit;
std::string m_yUnit;
std::string m_spectrumAxisUnit;
std::string m_instrumentName;
bool m_isHistogramData;
+ bool m_isScanning;
};
} // namespace Algorithms
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SmoothData.h b/Framework/Algorithms/inc/MantidAlgorithms/SmoothData.h
index 4cf8ad45771040b4ef2dc0a0f49e50f56c3190ce..b8c0717991bab7be5bfe610ba5d72622c59db342 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/SmoothData.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SmoothData.h
@@ -1,13 +1,13 @@
#ifndef MANTID_ALGORITHMS_SMOOTHDATA_H_
#define MANTID_ALGORITHMS_SMOOTHDATA_H_
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
#include "MantidAPI/Algorithm.h"
#include "MantidGeometry/IDTypes.h"
namespace Mantid {
+namespace HistogramData {
+class Histogram;
+}
namespace Algorithms {
/** Smooths the data of the input workspace by making each point the mean
average of itself and
@@ -81,6 +81,9 @@ private:
API::MatrixWorkspace_const_sptr inputWorkspace;
};
+HistogramData::Histogram smooth(const HistogramData::Histogram &histogram,
+ int npts);
+
} // namespace Algorithms
} // namespace Mantid
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionAlgorithm.h b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionAlgorithm.h
index a1ae05ae379cd5a21bcce7166ad56c6e12b5a5d3..5a5f1d685555840a19bfdd7a536866895d2ab3f0 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionAlgorithm.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionAlgorithm.h
@@ -42,18 +42,21 @@ protected:
/// Get the surface sample component
Mantid::Geometry::IComponent_const_sptr
- getSurfaceSampleComponent(Mantid::Geometry::Instrument_const_sptr inst);
+ getSurfaceSampleComponent(Mantid::Geometry::Instrument_const_sptr inst) const;
/// Get the detector component
Mantid::Geometry::IComponent_const_sptr
getDetectorComponent(Mantid::API::MatrixWorkspace_sptr workspace,
- const bool isPointDetector);
+ const bool isPointDetector) const;
/// Does the property have a default value.
bool isPropertyDefault(const std::string &propertyName) const;
/// initialize common properties
void initCommonProperties();
+
+ /// Calculate the twoTheta angle w.r.t the direct beam
+ double calculateTwoTheta() const;
};
} // namespace Algorithms
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionCalculateTheta2.h b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionCalculateTheta2.h
new file mode 100644
index 0000000000000000000000000000000000000000..f42949c5a556d6a9941825ea728003e3d55e071a
--- /dev/null
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionCalculateTheta2.h
@@ -0,0 +1,56 @@
+#ifndef MANTID_ALGORITHMS_SPECULARREFLECTIONCALCULATETHETA2_H_
+#define MANTID_ALGORITHMS_SPECULARREFLECTIONCALCULATETHETA2_H_
+
+#include "MantidKernel/System.h"
+#include "MantidAPI/Algorithm.h"
+#include "MantidAlgorithms/SpecularReflectionAlgorithm.h"
+
+namespace Mantid {
+namespace Algorithms {
+
+/** SpecularReflectionCorrectTheta : Calculates a theta value based on the
+ specular reflection condition. Version 2.
+
+ Copyright © 2014 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
+ National Laboratory & European Spallation Source
+
+ This file is part of Mantid.
+
+ Mantid is free software; you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation; either version 3 of the License, or
+ (at your option) any later version.
+
+ Mantid is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <http://www.gnu.org/licenses/>.
+
+ File change history is stored at: <https://github.com/mantidproject/mantid>
+ Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class DLLExport SpecularReflectionCalculateTheta2
+ : public SpecularReflectionAlgorithm {
+public:
+ const std::string name() const override;
+ /// Summary of algorithms purpose
+ const std::string summary() const override {
+ return "Calculate the specular reflection two theta scattering angle "
+ "(degrees) from the detector and sample locations .";
+ }
+
+ int version() const override;
+ const std::string category() const override;
+
+private:
+ void init() override;
+ void exec() override;
+};
+
+} // namespace Algorithms
+} // namespace Mantid
+
+#endif /* MANTID_ALGORITHMS_SPECULARREFLECTIONCALCULATETHETA2_H_ */
diff --git a/Framework/Algorithms/src/AddSampleLog.cpp b/Framework/Algorithms/src/AddSampleLog.cpp
index 5b7be49cd1ec18313fc9cb234d05186019b4b4dd..7abbf956b7f33aed2183fa248bec3a15b7963bee 100644
--- a/Framework/Algorithms/src/AddSampleLog.cpp
+++ b/Framework/Algorithms/src/AddSampleLog.cpp
@@ -228,7 +228,7 @@ void AddSampleLog::addTimeSeriesProperty(Run &run_obj,
is_int_series = true;
} else if (prop_number_type == autoTypeOption) {
// auto type. by default
- if (prop_value.size() == 0)
+ if (prop_value.empty())
g_log.warning("For sample log in TimeSeriesProperty and values are given "
"by MarixWorkspace, the default data type "
"is double.");
@@ -248,8 +248,8 @@ void AddSampleLog::addTimeSeriesProperty(Run &run_obj,
// check using workspace or some specified start value
std::string tsp_ws_name = getPropertyValue("TimeSeriesWorkspace");
- bool use_ws = tsp_ws_name.size() > 0;
- bool use_single_value = prop_value.size() > 0;
+ bool use_ws = !tsp_ws_name.empty();
+ bool use_single_value = !prop_value.empty();
if (use_ws && use_single_value) {
throw std::runtime_error("Both TimeSeries workspace and sing value are "
"specified. It is not allowed.");
diff --git a/Framework/Algorithms/src/ApodizationFunctions.cpp b/Framework/Algorithms/src/ApodizationFunctions.cpp
index 9207a340981719d982068c5b126e588e8d225503..f3641e71ea8b08ec25a20756b87a5d9b7d462825 100644
--- a/Framework/Algorithms/src/ApodizationFunctions.cpp
+++ b/Framework/Algorithms/src/ApodizationFunctions.cpp
@@ -6,6 +6,7 @@
namespace Mantid {
namespace Algorithms {
+namespace ApodizationFunctions {
/**
* Returns the evaluation of the Lorentz
* (an exponential decay)
@@ -42,3 +43,4 @@ double gaussian(const double time, const double decayConstant) {
double none(const double, const double) { return 1.; }
}
}
+}
\ No newline at end of file
diff --git a/Framework/Algorithms/src/CalculateTransmission.cpp b/Framework/Algorithms/src/CalculateTransmission.cpp
index 656dec9985112a3db4450109c066c6e498a11062..aaea7256cdd9f098e13f1ceae87136c5109ef8f3 100644
--- a/Framework/Algorithms/src/CalculateTransmission.cpp
+++ b/Framework/Algorithms/src/CalculateTransmission.cpp
@@ -22,7 +22,6 @@
#include <cmath>
#include <boost/algorithm/string/join.hpp>
-#include <boost/foreach.hpp>
#include <boost/lexical_cast.hpp>
namespace Mantid {
@@ -187,12 +186,14 @@ void CalculateTransmission::exec() {
beamMonitorIndex = getIndexFromDetectorID(*sampleWS, beamMonitorID);
logIfNotMonitor(sampleWS, directWS, beamMonitorIndex);
- BOOST_FOREACH (size_t transmissionIndex, transmissionIndices)
- if (transmissionIndex == beamMonitorIndex)
- throw std::invalid_argument("The IncidentBeamMonitor UDET (" +
- std::to_string(transmissionIndex) +
- ") matches a UDET given in " +
- transPropName + ".");
+ const auto transmissionIndex =
+ std::find(transmissionIndices.begin(), transmissionIndices.end(),
+ beamMonitorIndex);
+ if (transmissionIndex != transmissionIndices.end())
+ throw std::invalid_argument("The IncidentBeamMonitor UDET (" +
+ std::to_string(*transmissionIndex) +
+ ") matches a UDET given in " + transPropName +
+ ".");
}
MatrixWorkspace_sptr sampleInc;
diff --git a/Framework/Algorithms/src/ChangeTimeZero.cpp b/Framework/Algorithms/src/ChangeTimeZero.cpp
index 631e7068f154165958d57d7d2dd56897c1dabdad..5494590af12673237310f09444f63aac815b0dfc 100644
--- a/Framework/Algorithms/src/ChangeTimeZero.cpp
+++ b/Framework/Algorithms/src/ChangeTimeZero.cpp
@@ -331,7 +331,7 @@ bool ChangeTimeZero::checkForDateTime(const std::string &val) const {
// Hedge for bad lexical casts in the DateTimeValidator
try {
DateTimeValidator validator = DateTimeValidator();
- isDateTime = validator.isValid(val) == "";
+ isDateTime = validator.isValid(val).empty();
} catch (...) {
isDateTime = false;
}
diff --git a/Framework/Algorithms/src/ConvertAxisByFormula.cpp b/Framework/Algorithms/src/ConvertAxisByFormula.cpp
index ada62fb7d4e67eb951a6db5656442b4f7a2f0481..de1ab2350a84783216df15414e77d9a00103c55e 100644
--- a/Framework/Algorithms/src/ConvertAxisByFormula.cpp
+++ b/Framework/Algorithms/src/ConvertAxisByFormula.cpp
@@ -105,7 +105,7 @@ void ConvertAxisByFormula::exec() {
RefAxis *refAxisPtr = dynamic_cast<RefAxis *>(axisPtr);
if (refAxisPtr != nullptr) {
CommonBinsValidator sameBins;
- if (sameBins.isValid(outputWs) != "") {
+ if (!sameBins.isValid(outputWs).empty()) {
isRaggedBins = true;
}
isRefAxis = true;
@@ -245,14 +245,14 @@ void ConvertAxisByFormula::exec() {
}
// Set the Unit of the Axis
- if ((axisUnits != "") || (axisTitle != "")) {
+ if ((!axisUnits.empty()) || (!axisTitle.empty())) {
try {
axisPtr->unit() = UnitFactory::Instance().create(axisUnits);
} catch (Exception::NotFoundError &) {
- if (axisTitle == "") {
+ if (axisTitle.empty()) {
axisTitle = axisPtr->unit()->caption();
}
- if (axisUnits == "") {
+ if (axisUnits.empty()) {
axisUnits = axisPtr->unit()->label();
}
axisPtr->unit() = boost::make_shared<Units::Label>(axisTitle, axisUnits);
diff --git a/Framework/Algorithms/src/ConvertSpectrumAxis2.cpp b/Framework/Algorithms/src/ConvertSpectrumAxis2.cpp
index 29be582852079b9363530a2bae499876acb1615a..a3e9018337dc92042c33f03704727fac6b1375ee 100644
--- a/Framework/Algorithms/src/ConvertSpectrumAxis2.cpp
+++ b/Framework/Algorithms/src/ConvertSpectrumAxis2.cpp
@@ -39,13 +39,14 @@ void ConvertSpectrumAxis2::init() {
declareProperty(make_unique<WorkspaceProperty<>>("OutputWorkspace", "",
Direction::Output),
"The name to use for the output workspace.");
- std::vector<std::string> targetOptions(6);
+ std::vector<std::string> targetOptions(7);
targetOptions[0] = "Theta";
targetOptions[1] = "SignedTheta";
targetOptions[2] = "ElasticQ";
targetOptions[3] = "ElasticQSquared";
targetOptions[4] = "theta";
targetOptions[5] = "signed_theta";
+ targetOptions[6] = "ElasticDSpacing";
declareProperty(
"Target", "", boost::make_shared<StringListValidator>(targetOptions),
@@ -97,7 +98,8 @@ void ConvertSpectrumAxis2::exec() {
if (unitTarget == "theta" || unitTarget == "Theta" ||
unitTarget == "signed_theta" || unitTarget == "SignedTheta") {
createThetaMap(progress, unitTarget, inputWS);
- } else if (unitTarget == "ElasticQ" || unitTarget == "ElasticQSquared") {
+ } else if (unitTarget == "ElasticQ" || unitTarget == "ElasticQSquared" ||
+ unitTarget == "ElasticDSpacing") {
createElasticQMap(progress, unitTarget, inputWS);
}
@@ -182,7 +184,7 @@ void ConvertSpectrumAxis2::createElasticQMap(
efixed = getEfixed(detectorIndex, detectorInfo, *inputWS,
emode); // get efixed
} else {
- theta = 0.0;
+ theta = DBL_MIN;
efixed = DBL_MIN;
}
@@ -198,9 +200,12 @@ void ConvertSpectrumAxis2::createElasticQMap(
elasticQInAngstroms * elasticQInAngstroms;
emplaceIndexMap(elasticQSquaredInAngstroms, i);
+ } else if (targetUnit == "ElasticDSpacing") {
+ double elasticDSpacing = 2 * M_PI / elasticQInAngstroms;
+ emplaceIndexMap(elasticDSpacing, i);
}
- progress.report("Converting to Elastic Q...");
+ progress.report("Converting to " + targetUnit);
}
}
@@ -242,6 +247,8 @@ MatrixWorkspace_sptr ConvertSpectrumAxis2::createOutputWorkspace(
newAxis->unit() = UnitFactory::Instance().create("MomentumTransfer");
} else if (targetUnit == "ElasticQSquared") {
newAxis->unit() = UnitFactory::Instance().create("QSquared");
+ } else if (targetUnit == "ElasticDSpacing") {
+ newAxis->unit() = UnitFactory::Instance().create("dSpacing");
}
// Note that this is needed only for ordered case
diff --git a/Framework/Algorithms/src/ConvertUnits.cpp b/Framework/Algorithms/src/ConvertUnits.cpp
index 33fa5a87287359031c52e4df80af0856e4246cf9..7f58d71c62d25f033a5ca0ac5004ac5dbd73a63a 100644
--- a/Framework/Algorithms/src/ConvertUnits.cpp
+++ b/Framework/Algorithms/src/ConvertUnits.cpp
@@ -337,7 +337,7 @@ ConvertUnits::convertQuickly(API::MatrixWorkspace_const_sptr inputWS,
// First a quick check using the validator
CommonBinsValidator sameBins;
bool commonBoundaries = false;
- if (sameBins.isValid(inputWS) == "") {
+ if (sameBins.isValid(inputWS).empty()) {
commonBoundaries = WorkspaceHelpers::commonBoundaries(*inputWS);
// Only do the full check if the quick one passes
if (commonBoundaries) {
diff --git a/Framework/Algorithms/src/DetectorEfficiencyCorUser.cpp b/Framework/Algorithms/src/DetectorEfficiencyCorUser.cpp
index 54475523b3552d23620654bb8315d6bf017366ff..a510174ea8cb0ea4e187237c321c308c37f2aa53 100644
--- a/Framework/Algorithms/src/DetectorEfficiencyCorUser.cpp
+++ b/Framework/Algorithms/src/DetectorEfficiencyCorUser.cpp
@@ -2,8 +2,9 @@
#include "MantidAPI/HistogramValidator.h"
#include "MantidAPI/InstrumentValidator.h"
#include "MantidAPI/Run.h"
-#include "MantidAPI/WorkspaceFactory.h"
#include "MantidAPI/WorkspaceUnitValidator.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidDataObjects/WorkspaceCreation.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/muParser_Silent.h"
#include "MantidKernel/BoundedValidator.h"
@@ -11,6 +12,8 @@
#include "MantidKernel/Strings.h"
using Mantid::HistogramData::Histogram;
+using Mantid::HistogramData::HistogramE;
+using Mantid::HistogramData::HistogramY;
using Mantid::HistogramData::Points;
namespace Mantid {
@@ -62,12 +65,6 @@ void DetectorEfficiencyCorUser::exec() {
// get input properties (WSs, Ei)
retrieveProperties();
- // get Efficiency formula from the IDF
- const std::string effFormula = getValFromInstrumentDef("formula_eff");
-
- // Calculate Efficiency for E = Ei
- const double eff0 = calculateFormulaValue(effFormula, m_Ei);
-
const size_t numberOfChannels = this->m_inputWS->blocksize();
// Calculate the number of spectra in this workspace
const int numberOfSpectra =
@@ -80,12 +77,13 @@ void DetectorEfficiencyCorUser::exec() {
PARALLEL_FOR_IF(Kernel::threadSafe(*m_outputWS, *m_inputWS))
for (int64_t i = 0; i < numberOfSpectra_i; ++i) {
PARALLEL_START_INTERUPT_REGION
-
- const auto effVec =
- calculateEfficiency(eff0, effFormula, m_inputWS->points(i));
- // run this outside to benefit from parallel for (?)
- m_outputWS->setHistogram(i, applyDetEfficiency(numberOfChannels, effVec,
- m_inputWS->histogram(i)));
+ const auto effFormula = retrieveFormula(i);
+ // Calculate Efficiency for E = Ei
+ double e;
+ auto parser = generateParser(effFormula, &e);
+ e = m_Ei;
+ const double eff0 = evaluate(parser);
+ correctHistogram(i, eff0, e, parser);
prog.report("Detector Efficiency correction...");
@@ -97,44 +95,39 @@ void DetectorEfficiencyCorUser::exec() {
}
/**
- * Apply the detector efficiency to a single spectrum
- * @param nChans Number of channels in a spectra (nbins - 1)
- * @param effVec efficiency values (to be divided by the counts)
- * @param histogram uncorrected histogram
-
- * @returns corrected histogram
+ * Apply efficiency corrections to a histogram in the output workspace.
+ * Efficiency = f(Ei-DeltaE) / f(Ei)
+ * @param eff0 :: calculated f(Ei)
+ * @param e :: reference to the parser's energy parameter
+ * @param parser :: muParser used to evalute f(e)
+ * @param index :: the workspace index of the histogram to correct
*/
-Histogram DetectorEfficiencyCorUser::applyDetEfficiency(
- const size_t nChans, const MantidVec &effVec, const Histogram &histogram) {
- Histogram outHist(histogram);
-
- auto &outY = outHist.mutableY();
- auto &outE = outHist.mutableE();
-
- for (unsigned int j = 0; j < nChans; ++j) {
- outY[j] /= effVec[j];
- outE[j] /= effVec[j];
+void DetectorEfficiencyCorUser::correctHistogram(const size_t index,
+ const double eff0, double &e,
+ mu::Parser &parser) {
+ const auto &xIn = m_inputWS->points(index);
+ const auto &yIn = m_inputWS->y(index);
+ const auto &eIn = m_inputWS->e(index);
+ auto &yOut = m_outputWS->mutableY(index);
+ auto &eOut = m_outputWS->mutableE(index);
+ for (size_t i = 0; i < xIn.size(); ++i) {
+ e = m_Ei - xIn[i];
+ const double eff = evaluate(parser);
+ const double corr = eff / eff0;
+ yOut[i] = yIn[i] / corr;
+ eOut[i] = eIn[i] / corr;
}
-
- return outHist;
}
+
/**
- * Calculate the value of a formula
- * @param formula :: Formula
- * @param energy :: value to use in the formula
- * @return value calculated
+ * Calculate the value of a formula parsed by muParser
+ * @param parser :: muParser object
+ * @return calculated value
+ * @throw InstrumentDefinitionError if parser throws during evaluation
*/
-double
-DetectorEfficiencyCorUser::calculateFormulaValue(const std::string &formula,
- double energy) {
+double DetectorEfficiencyCorUser::evaluate(const mu::Parser &parser) const {
try {
- mu::Parser p;
- p.DefineVar("e", &energy);
- p.SetExpr(formula);
- double eff = p.Eval();
- g_log.debug() << "Formula: " << formula << " with: " << energy
- << "evaluated to: " << eff << '\n';
- return eff;
+ return parser.Eval();
} catch (mu::Parser::exception_type &e) {
throw Kernel::Exception::InstrumentDefinitionError(
"Error calculating formula from string. Muparser error message is: " +
@@ -142,58 +135,34 @@ DetectorEfficiencyCorUser::calculateFormulaValue(const std::string &formula,
}
}
-/**
- * Calculate detector efficiency given a formula, the efficiency at the elastic
- * line, and a vector with energies.
- * Efficiency = f(Ei-DeltaE) / f(Ei)
- * @param eff0 :: calculated eff0
- * @param formula :: formula to calculate efficiency (parsed from IDF)
- * @param xIn :: Energy bins vector (X axis)
- * @return a vector with the efficiencies
- */
-MantidVec DetectorEfficiencyCorUser::calculateEfficiency(
- double eff0, const std::string &formula, const Points &xIn) {
- MantidVec effOut(xIn.size());
-
- try {
- double e;
- mu::Parser p;
- p.DefineVar("e", &e);
- p.SetExpr(formula);
-
- for (size_t i = 0; i < effOut.size(); ++i) {
- e = m_Ei - xIn[i];
- double eff = p.Eval();
- effOut[i] = eff / eff0;
- }
- return effOut;
- } catch (mu::Parser::exception_type &e) {
- throw Kernel::Exception::InstrumentDefinitionError(
- "Error calculating formula from string. Muparser error message is: " +
- e.GetMsg());
- }
+mu::Parser DetectorEfficiencyCorUser::generateParser(const std::string &formula,
+ double *e) const {
+ mu::Parser p;
+ p.DefineVar("e", e);
+ p.SetExpr(formula);
+ return p;
}
/**
- * Returns the value associated to a parameter name in the IDF
- * @param parameterName :: parameter name in the IDF
- * @return the value associated to the parameter name
+ * Returns the efficiency correction formula associated to a detector
+ * @param workspaceIndex detector's workspace index
+ * @return the efficiency correction formula
*/
-std::string DetectorEfficiencyCorUser::getValFromInstrumentDef(
- const std::string ¶meterName) {
- const ParameterMap &pmap = m_inputWS->constInstrumentParameters();
- Instrument_const_sptr instrument = m_inputWS->getInstrument();
- Parameter_sptr par =
- pmap.getRecursive(instrument->getChild(0).get(), parameterName);
- if (par) {
- std::string ret = par->asString();
- g_log.debug() << "Parsed parameter " << parameterName << ": " << ret
- << "\n";
- return ret;
- } else {
+std::string
+DetectorEfficiencyCorUser::retrieveFormula(const size_t workspaceIndex) {
+ const std::string formulaParamName("formula_eff");
+ const auto ¶mMap = m_inputWS->constInstrumentParameters();
+ auto det = m_inputWS->getDetector(workspaceIndex);
+ auto param = paramMap.getRecursive(det.get(), formulaParamName, "string");
+ if (!param) {
throw Kernel::Exception::InstrumentDefinitionError(
- "There is no <" + parameterName + "> in the instrument definition!");
+ "No <" + formulaParamName + "> parameter found for component '" +
+ det->getFullName() + "' in the instrument definition.");
}
+ const auto ret = param->asString();
+ g_log.debug() << "Found formula for workspace index " << workspaceIndex
+ << ": " << ret << "\n";
+ return ret;
}
/** Loads and checks the values passed to the algorithm
@@ -210,7 +179,8 @@ void DetectorEfficiencyCorUser::retrieveProperties() {
// If input and output workspaces are not the same, create a new workspace for
// the output
if (m_outputWS != this->m_inputWS) {
- m_outputWS = API::WorkspaceFactory::Instance().create(m_inputWS);
+ m_outputWS.reset(Mantid::DataObjects::create<DataObjects::Workspace2D>(
+ *m_inputWS).release());
}
// these first three properties are fully checked by validators
diff --git a/Framework/Algorithms/src/DiffractionEventCalibrateDetectors.cpp b/Framework/Algorithms/src/DiffractionEventCalibrateDetectors.cpp
index 5136276a2e8c353b52b37d9a0c0f0579530102c0..24381be1b96d7f0ff0d4f7065ef00ae70228f5ad 100644
--- a/Framework/Algorithms/src/DiffractionEventCalibrateDetectors.cpp
+++ b/Framework/Algorithms/src/DiffractionEventCalibrateDetectors.cpp
@@ -299,7 +299,7 @@ void DiffractionEventCalibrateDetectors::exec() {
std::vector<boost::shared_ptr<RectangularDetector>> detList;
// --------- Loading only one bank ----------------------------------
std::string onebank = getProperty("BankName");
- bool doOneBank = (onebank != "");
+ bool doOneBank = (!onebank.empty());
for (int i = 0; i < inst->nelements(); i++) {
boost::shared_ptr<RectangularDetector> det;
boost::shared_ptr<ICompAssembly> assem;
diff --git a/Framework/Algorithms/src/DiffractionFocussing2.cpp b/Framework/Algorithms/src/DiffractionFocussing2.cpp
index 5465caa11d939c648c23b353671c930ae19ecbca..875954fbee9fa68cd2a12920b9a98e9431644b36 100644
--- a/Framework/Algorithms/src/DiffractionFocussing2.cpp
+++ b/Framework/Algorithms/src/DiffractionFocussing2.cpp
@@ -109,7 +109,7 @@ void DiffractionFocussing2::exec() {
throw std::invalid_argument("Workspace Invalid Spacing/UnitID");
}
// --- Do we need to read the grouping workspace? ----
- if (groupingFileName != "") {
+ if (!groupingFileName.empty()) {
progress(0.01, "Reading grouping file");
IAlgorithm_sptr childAlg = createChildAlgorithm("CreateGroupingWorkspace");
childAlg->setProperty(
diff --git a/Framework/Algorithms/src/ExportTimeSeriesLog.cpp b/Framework/Algorithms/src/ExportTimeSeriesLog.cpp
index bdce22f34a065590d40664d9e3b8f1a82431eeda..35c15bc9fa4cbb290bda06618c27f87ce484d0df 100644
--- a/Framework/Algorithms/src/ExportTimeSeriesLog.cpp
+++ b/Framework/Algorithms/src/ExportTimeSeriesLog.cpp
@@ -429,7 +429,7 @@ void ExportTimeSeriesLog::calculateFirstDerivative(bool is_event_ws) {
// error message
std::string errmsg = errmsg_ss.str();
- if (errmsg.size() > 0)
+ if (!errmsg.empty())
g_log.error(errmsg);
return;
diff --git a/Framework/Algorithms/src/FilterByTime.cpp b/Framework/Algorithms/src/FilterByTime.cpp
index dd08a9f46bd68884002419ff6e3d53e8ce330d44..fe151e505ff1fcfcacbe1372c99766a0c8938212 100644
--- a/Framework/Algorithms/src/FilterByTime.cpp
+++ b/Framework/Algorithms/src/FilterByTime.cpp
@@ -77,12 +77,12 @@ void FilterByTime::exec() {
start_str = getPropertyValue("AbsoluteStartTime");
stop_str = getPropertyValue("AbsoluteStopTime");
- if ((start_str != "") && (stop_str != "") && (start_dbl <= 0.0) &&
+ if ((!start_str.empty()) && (!stop_str.empty()) && (start_dbl <= 0.0) &&
(stop_dbl <= 0.0)) {
// Use the absolute string
start = DateAndTime(start_str);
stop = DateAndTime(stop_str);
- } else if ((start_str == "") && (stop_str == "") &&
+ } else if ((start_str.empty()) && (stop_str.empty()) &&
((start_dbl > 0.0) || (stop_dbl > 0.0))) {
// Use the relative times in seconds.
DateAndTime first = inputWS->getFirstPulseTime();
diff --git a/Framework/Algorithms/src/FilterByTime2.cpp b/Framework/Algorithms/src/FilterByTime2.cpp
index 74ab57080842fac8b8418fb0c8327b9b52d0218f..71d70f362807d68d22e2b6c138781d9a8a9e9824 100644
--- a/Framework/Algorithms/src/FilterByTime2.cpp
+++ b/Framework/Algorithms/src/FilterByTime2.cpp
@@ -73,12 +73,12 @@ void FilterByTime2::exec() {
std::string absstoptime = this->getProperty("AbsoluteStopTime");
std::string start, stop;
- if ((absstarttime != "") && (absstoptime != "") && (starttime <= 0.0) &&
+ if ((!absstarttime.empty()) && (!absstoptime.empty()) && (starttime <= 0.0) &&
(stoptime <= 0.0)) {
// Use the absolute string
start = absstarttime;
stop = absstoptime;
- } else if ((absstarttime != "" || absstoptime != "") &&
+ } else if ((!absstarttime.empty() || !absstoptime.empty()) &&
(starttime > 0.0 || stoptime > 0.0)) {
throw std::invalid_argument(
"It is not allowed to provide both absolute time and relative time.");
diff --git a/Framework/Algorithms/src/FilterEvents.cpp b/Framework/Algorithms/src/FilterEvents.cpp
index 9f6b05f04ff7d53d837271dba8553b3b3afe4b43..c4a4cf3116eb8a013bd7e65b0c7f5051326923dc 100644
--- a/Framework/Algorithms/src/FilterEvents.cpp
+++ b/Framework/Algorithms/src/FilterEvents.cpp
@@ -792,7 +792,7 @@ void FilterEvents::convertSplittersWorkspaceToVectors() {
Kernel::SplittingInterval splitter = m_splitters[i_splitter];
int64_t start_time_i64 = splitter.start().totalNanoseconds();
int64_t stop_time_i64 = splitter.stop().totalNanoseconds();
- if (m_vecSplitterTime.size() == 0) {
+ if (m_vecSplitterTime.empty()) {
// first entry: add
m_vecSplitterTime.push_back(start_time_i64);
m_vecSplitterTime.push_back(stop_time_i64);
@@ -949,7 +949,7 @@ void FilterEvents::processTableSplittersWorkspace() {
int64_t stop_64 =
filter_shift_time + static_cast<int64_t>(stop_time * 1.E9);
- if (m_vecSplitterTime.size() == 0) {
+ if (m_vecSplitterTime.empty()) {
// first splitter: push the start time to vector
m_vecSplitterTime.push_back(start_64);
} else if (start_64 - m_vecSplitterTime.back() > TOLERANCE) {
@@ -973,7 +973,7 @@ void FilterEvents::processTableSplittersWorkspace() {
// convert string-target to integer target
bool addnew = false;
int int_target(-1);
- if (m_targetIndexMap.size() == 0) {
+ if (m_targetIndexMap.empty()) {
addnew = true;
} else {
std::map<std::string, int>::iterator mapiter =
diff --git a/Framework/Algorithms/src/FindPeaks.cpp b/Framework/Algorithms/src/FindPeaks.cpp
index d5a59b8fd190c0a823e8187897630f986a4267cb..8f472c87c709e5bafed2d24bc7d6c31c43177c01 100644
--- a/Framework/Algorithms/src/FindPeaks.cpp
+++ b/Framework/Algorithms/src/FindPeaks.cpp
@@ -1,7 +1,5 @@
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
#include "MantidAlgorithms/FindPeaks.h"
+#include "MantidAlgorithms/SmoothData.h"
#include "MantidAPI/CostFunctionFactory.h"
#include "MantidAPI/FuncMinimizerFactory.h"
@@ -13,6 +11,8 @@
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/StartsWithValidator.h"
#include "MantidKernel/VectorHelper.h"
+#include "MantidIndexing/IndexInfo.h"
+#include "MantidIndexing/GlobalSpectrumIndex.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/ListValidator.h"
@@ -26,8 +26,8 @@ using namespace Mantid;
using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
-using Mantid::HistogramData::HistogramX;
-using Mantid::HistogramData::HistogramY;
+using namespace Mantid::HistogramData;
+using namespace Mantid::Indexing;
// const double MINHEIGHT = 2.00000001;
@@ -43,8 +43,7 @@ DECLARE_ALGORITHM(FindPeaks)
FindPeaks::FindPeaks()
: API::Algorithm(), m_peakParameterNames(), m_bkgdParameterNames(),
m_bkgdOrder(0), m_outPeakTableWS(), m_dataWS(), m_inputPeakFWHM(0),
- m_wsIndex(0), singleSpectrum(false), m_highBackground(false),
- m_rawPeaksTable(false), m_numTableParams(0),
+ m_highBackground(false), m_rawPeaksTable(false), m_numTableParams(0),
m_centreIndex(1) /* for Gaussian */, m_peakFuncType(""),
m_backgroundType(""), m_vecPeakCentre(), m_vecFitWindows(),
m_backgroundFunction(), m_peakFunction(), m_minGuessedPeakWidth(0),
@@ -146,9 +145,7 @@ void FindPeaks::init() {
"this peak will not be fit. It is designed for EventWorkspace with "
"integer counts.");
- std::vector<std::string> costFuncOptions;
- costFuncOptions.emplace_back("Chi-Square");
- costFuncOptions.emplace_back("Rwp");
+ std::array<std::string, 2> costFuncOptions = {{"Chi-Square", "Rwp"}};
declareProperty("CostFunction", "Chi-Square",
Kernel::IValidator_sptr(
new Kernel::ListValidator<std::string>(costFuncOptions)),
@@ -214,16 +211,20 @@ void FindPeaks::processAlgorithmProperties() {
m_dataWS = getProperty("InputWorkspace");
// WorkspaceIndex
- m_wsIndex = getProperty("WorkspaceIndex");
- singleSpectrum = !isEmpty(m_wsIndex);
- if (singleSpectrum &&
- m_wsIndex >= static_cast<int>(m_dataWS->getNumberHistograms())) {
- g_log.warning() << "The value of WorkspaceIndex provided (" << m_wsIndex
- << ") is larger than the size of this workspace ("
- << m_dataWS->getNumberHistograms() << ")\n";
- throw Kernel::Exception::IndexError(m_wsIndex,
- m_dataWS->getNumberHistograms() - 1,
- "FindPeaks WorkspaceIndex property");
+ int wsIndex = getProperty("WorkspaceIndex");
+ if (!isEmpty(wsIndex)) {
+ if (wsIndex >= static_cast<int>(m_dataWS->getNumberHistograms())) {
+ g_log.warning() << "The value of WorkspaceIndex provided (" << wsIndex
+ << ") is larger than the size of this workspace ("
+ << m_dataWS->getNumberHistograms() << ")\n";
+ throw Kernel::Exception::IndexError(wsIndex,
+ m_dataWS->getNumberHistograms() - 1,
+ "FindPeaks WorkspaceIndex property");
+ }
+ m_indexSet = m_dataWS->indexInfo().makeIndexSet(
+ {static_cast<Indexing::GlobalSpectrumIndex>(wsIndex)});
+ } else {
+ m_indexSet = m_dataWS->indexInfo().makeIndexSet();
}
// Peak width
@@ -335,13 +336,9 @@ void FindPeaks::findPeaksGivenStartingPoints(
std::size_t numPeaks = peakcentres.size();
// Loop over the spectra searching for peaks
- const int start = singleSpectrum ? m_wsIndex : 0;
- const int end = singleSpectrum
- ? m_wsIndex + 1
- : static_cast<int>(m_dataWS->getNumberHistograms());
- m_progress = make_unique<Progress>(this, 0.0, 1.0, end - start);
+ m_progress = make_unique<Progress>(this, 0.0, 1.0, m_indexSet.size());
- for (int spec = start; spec < end; ++spec) {
+ for (const auto spec : m_indexSet) {
const auto &vecX = m_dataWS->x(spec);
double practical_x_min = vecX.front();
@@ -391,8 +388,8 @@ void FindPeaks::findPeaksGivenStartingPoints(
// Check whether it is the in data range
if (x_center > practical_x_min && x_center < practical_x_max) {
if (useWindows)
- fitPeakInWindow(m_dataWS, spec, x_center, fitwindows[2 * ipeak],
- fitwindows[2 * ipeak + 1]);
+ fitPeakInWindow(m_dataWS, static_cast<int>(spec), x_center,
+ fitwindows[2 * ipeak], fitwindows[2 * ipeak + 1]);
else {
bool hasLeftPeak = (ipeak > 0);
double leftpeakcentre = 0.;
@@ -404,9 +401,9 @@ void FindPeaks::findPeaksGivenStartingPoints(
if (hasRightPeak)
rightpeakcentre = peakcentres[ipeak + 1];
- fitPeakGivenFWHM(m_dataWS, spec, x_center, m_inputPeakFWHM,
- hasLeftPeak, leftpeakcentre, hasRightPeak,
- rightpeakcentre);
+ fitPeakGivenFWHM(m_dataWS, static_cast<int>(spec), x_center,
+ m_inputPeakFWHM, hasLeftPeak, leftpeakcentre,
+ hasRightPeak, rightpeakcentre);
}
} else {
g_log.warning() << "Given peak centre " << x_center
@@ -427,7 +424,7 @@ void FindPeaks::findPeaksGivenStartingPoints(
*/
void FindPeaks::findPeaksUsingMariscotti() {
// At this point the data has not been smoothed yet.
- MatrixWorkspace_sptr smoothedData = this->calculateSecondDifference(m_dataWS);
+ auto smoothedData = this->calculateSecondDifference(m_dataWS);
// The optimum number of points in the smoothing, according to Mariscotti, is
// 0.6*fwhm
@@ -436,10 +433,8 @@ void FindPeaks::findPeaksUsingMariscotti() {
if (!(w % 2))
++w;
- // Carry out the number of smoothing steps given by g_z (should be 5)
- for (int i = 0; i < g_z; ++i) {
- this->smoothData(smoothedData, w);
- }
+ smoothData(smoothedData, w, g_z);
+
// Now calculate the errors on the smoothed data
this->calculateStandardDeviation(m_dataWS, smoothedData, w);
@@ -450,24 +445,17 @@ void FindPeaks::findPeaksUsingMariscotti() {
// Can't calculate n2 or n3 yet because they need i0
const int tolerance = getProperty("Tolerance");
- // // Temporary - to allow me to look at smoothed data
- // setProperty("SmoothedData",smoothedData);
-
// Loop over the spectra searching for peaks
- const int start = singleSpectrum ? m_wsIndex : 0;
- const int end = singleSpectrum
- ? m_wsIndex + 1
- : static_cast<int>(smoothedData->getNumberHistograms());
- m_progress = make_unique<Progress>(this, 0.0, 1.0, end - start);
- const int blocksize = static_cast<int>(smoothedData->blocksize());
+ m_progress = make_unique<Progress>(this, 0.0, 1.0, m_indexSet.size());
- for (int k = start; k < end; ++k) {
- const auto &S = smoothedData->y(k);
- const auto &F = smoothedData->e(k);
+ for (size_t k_out = 0; k_out < m_indexSet.size(); ++k_out) {
+ const size_t k = m_indexSet[k_out];
+ const auto &S = smoothedData[k_out].y();
+ const auto &F = smoothedData[k_out].e();
// This implements the flow chart given on page 320 of Mariscotti
int i0 = 0, i1 = 0, i2 = 0, i3 = 0, i4 = 0, i5 = 0;
- for (int i = 1; i < blocksize; ++i) {
+ for (int i = 1; i < static_cast<int>(S.size()); ++i) {
int M = 0;
if (S[i] > F[i])
@@ -607,7 +595,7 @@ void FindPeaks::findPeaksUsingMariscotti() {
if (i_max >= wssize)
i_max = wssize - 1;
- this->fitSinglePeak(m_dataWS, k, i_min, i_max, i4);
+ this->fitSinglePeak(m_dataWS, static_cast<int>(k), i_min, i_max, i4);
// reset and go searching for the next peak
i1 = 0, i2 = 0, i3 = 0, i4 = 0, i5 = 0;
@@ -629,25 +617,22 @@ void FindPeaks::findPeaksUsingMariscotti() {
* @param input :: The workspace to calculate the second difference of
* @return A workspace containing the second difference
*/
-API::MatrixWorkspace_sptr FindPeaks::calculateSecondDifference(
+std::vector<Histogram> FindPeaks::calculateSecondDifference(
const API::MatrixWorkspace_const_sptr &input) {
- // We need a new workspace the same size as the input ont
- MatrixWorkspace_sptr diffed = WorkspaceFactory::Instance().create(input);
-
- const size_t numHists = input->getNumberHistograms();
- const size_t blocksize = input->blocksize();
+ std::vector<Histogram> diffed;
// Loop over spectra
- for (size_t i = 0; i < size_t(numHists); ++i) {
- // Copy over the X values
- diffed->setSharedX(i, input->sharedX(i));
+ for (const auto i : m_indexSet) {
+ diffed.push_back(input->histogram(i));
+ diffed.back().mutableY() = 0.0;
+ diffed.back().mutableE() = 0.0;
const auto &Y = input->y(i);
- auto &S = diffed->mutableY(i);
+ auto &S = diffed.back().mutableY();
// Go through each spectrum calculating the second difference at each point
// First and last points in each spectrum left as zero (you'd never be able
// to find peaks that close to the edge anyway)
- for (size_t j = 1; j < blocksize - 1; ++j) {
+ for (size_t j = 1; j < S.size() - 1; ++j) {
S[j] = Y[j - 1] - 2 * Y[j] + Y[j + 1];
}
}
@@ -656,24 +641,17 @@ API::MatrixWorkspace_sptr FindPeaks::calculateSecondDifference(
}
//----------------------------------------------------------------------------------------------
-/** Calls the SmoothData algorithm as a Child Algorithm on a workspace.
- * It is used in Mariscotti
- * @param WS :: The workspace containing the data to be smoothed. The smoothed
- * result will be stored in this pointer.
+/** Smooth data for Mariscotti.
+ * @param histograms :: Vector of histograms to be smoothed (inplace).
* @param w :: The number of data points which should contribute to each
* smoothed point
+ * @param g_z :: The number of smoothing steps given by g_z (should be 5)
*/
-void FindPeaks::smoothData(API::MatrixWorkspace_sptr &WS, const int &w) {
- g_log.information("Smoothing the input data");
- IAlgorithm_sptr smooth = createChildAlgorithm("SmoothData");
- smooth->setProperty("InputWorkspace", WS);
- // The number of points which contribute to each smoothed point
- std::vector<int> wvec;
- wvec.push_back(w);
- smooth->setProperty("NPoints", wvec);
- smooth->executeAsChildAlg();
- // Get back the result
- WS = smooth->getProperty("OutputWorkspace");
+void FindPeaks::smoothData(std::vector<Histogram> &histograms, const int w,
+ const int g_z) {
+ for (auto &histogram : histograms)
+ for (int i = 0; i < g_z; ++i)
+ histogram = smooth(histogram, w);
}
//----------------------------------------------------------------------------------------------
@@ -688,7 +666,7 @@ void FindPeaks::smoothData(API::MatrixWorkspace_sptr &WS, const int &w) {
*/
void FindPeaks::calculateStandardDeviation(
const API::MatrixWorkspace_const_sptr &input,
- const API::MatrixWorkspace_sptr &smoothed, const int &w) {
+ std::vector<HistogramData::Histogram> &smoothed, const int &w) {
// Guard against anyone changing the value of z, which would mean different
// phi values were needed (see Marriscotti p.312)
static_assert(g_z == 5, "Value of z has changed!");
@@ -698,12 +676,9 @@ void FindPeaks::calculateStandardDeviation(
const double constant =
sqrt(static_cast<double>(this->computePhi(w))) / factor;
- const size_t numHists = smoothed->getNumberHistograms();
- for (size_t i = 0; i < size_t(numHists); ++i) {
- smoothed->setSharedE(i, input->sharedE(i));
- std::transform(smoothed->e(i).cbegin(), smoothed->e(i).cend(),
- smoothed->mutableE(i).begin(),
- std::bind2nd(std::multiplies<double>(), constant));
+ for (size_t i = 0; i < m_indexSet.size(); ++i) {
+ size_t i_in = m_indexSet[i];
+ smoothed[i].mutableE() = input->e(i_in) * constant;
}
}
diff --git a/Framework/Algorithms/src/FitPeak.cpp b/Framework/Algorithms/src/FitPeak.cpp
index ec88b8ba578f7964421c70ad23821f2da2922cd0..4d3fd6eb10d6035046dc20ccde9a2f5d7adc68d5 100644
--- a/Framework/Algorithms/src/FitPeak.cpp
+++ b/Framework/Algorithms/src/FitPeak.cpp
@@ -1147,7 +1147,7 @@ void FitPeak::init() {
"from proposed value more than "
"the given value, fit is treated as failure. ");
- vector<string> costFuncOptions{"Chi-Square", "Rwp"};
+ std::array<string, 2> costFuncOptions = {{"Chi-Square", "Rwp"}};
declareProperty("CostFunction", "Chi-Square",
Kernel::IValidator_sptr(
new Kernel::ListValidator<std::string>(costFuncOptions)),
diff --git a/Framework/Algorithms/src/GenerateIPythonNotebook.cpp b/Framework/Algorithms/src/GenerateIPythonNotebook.cpp
index 529b33549073a74d25262e8d5c7f7ee6288da4d6..e5e90cd9a25919dd1ca18464b53e17adb9231662 100644
--- a/Framework/Algorithms/src/GenerateIPythonNotebook.cpp
+++ b/Framework/Algorithms/src/GenerateIPythonNotebook.cpp
@@ -80,8 +80,8 @@ void GenerateIPythonNotebook::exec() {
}
// Need at least a start time to do time filter
- if (startTime != "") {
- if (endTime == "") {
+ if (!startTime.empty()) {
+ if (endTime.empty()) {
// If no end time was given then filter up to now
view->filterBetweenExecDate(DateAndTime(startTime));
} else {
diff --git a/Framework/Algorithms/src/GeneratePythonScript.cpp b/Framework/Algorithms/src/GeneratePythonScript.cpp
index 5ee5894becf7f62babb485492b17bdbe834ab4b9..01ee8704fcf951b7ea6119890d47ff0c0de46658 100644
--- a/Framework/Algorithms/src/GeneratePythonScript.cpp
+++ b/Framework/Algorithms/src/GeneratePythonScript.cpp
@@ -79,8 +79,8 @@ void GeneratePythonScript::exec() {
}
// Need at least a start time to do time filter
- if (startTime != "") {
- if (endTime == "") {
+ if (!startTime.empty()) {
+ if (endTime.empty()) {
// If no end time was given then filter up to now
view->filterBetweenExecDate(DateAndTime(startTime));
} else {
diff --git a/Framework/Algorithms/src/IntegrateEPP.cpp b/Framework/Algorithms/src/IntegrateEPP.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..dbaf75c8d0420a766f235b86fd57548100a7cce6
--- /dev/null
+++ b/Framework/Algorithms/src/IntegrateEPP.cpp
@@ -0,0 +1,133 @@
+#include "MantidAlgorithms/IntegrateEPP.h"
+
+#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidKernel/BoundedValidator.h"
+#include "MantidKernel/CompositeValidator.h"
+#include "MantidKernel/MandatoryValidator.h"
+
+namespace Mantid {
+namespace Algorithms {
+
+using Mantid::Kernel::Direction;
+using Mantid::API::WorkspaceProperty;
+
+namespace {
+/// A private namespace defining property name constants.
+namespace PropertyNames {
+const static std::string EPP_WORKSPACE{"EPPWorkspace"};
+const static std::string INPUT_WORKSPACE{"InputWorkspace"};
+const static std::string OUTPUT_WORKSPACE{"OutputWorkspace"};
+const static std::string WIDTH{"HalfWidthInSigmas"};
+}
+}
+
+// Register the algorithm into the AlgorithmFactory
+DECLARE_ALGORITHM(IntegrateEPP)
+
+//----------------------------------------------------------------------------------------------
+
+/// Algorithms name for identification. @see Algorithm::name
+const std::string IntegrateEPP::name() const { return "IntegrateEPP"; }
+
+/// Algorithm's version for identification. @see Algorithm::version
+int IntegrateEPP::version() const { return 1; }
+
+/// Algorithm's category for identification. @see Algorithm::category
+const std::string IntegrateEPP::category() const {
+ return "Arithmetic;Transforms\\Rebin";
+}
+
+/// Algorithm's summary for use in the GUI and help. @see Algorithm::summary
+const std::string IntegrateEPP::summary() const {
+ return "Integrate a workspace around elastic peak positions.";
+}
+
+//----------------------------------------------------------------------------------------------
+/** Initialize the algorithm's properties.
+ */
+void IntegrateEPP::init() {
+ declareProperty(Kernel::make_unique<WorkspaceProperty<API::MatrixWorkspace>>(
+ PropertyNames::INPUT_WORKSPACE, "", Direction::Input),
+ "A workspace to be integrated.");
+ declareProperty(Kernel::make_unique<WorkspaceProperty<API::MatrixWorkspace>>(
+ PropertyNames::OUTPUT_WORKSPACE, "", Direction::Output),
+ "An workspace containing the integrated histograms.");
+ declareProperty(Kernel::make_unique<WorkspaceProperty<API::ITableWorkspace>>(
+ PropertyNames::EPP_WORKSPACE, "", Direction::Input),
+ "Table containing information on the elastic peaks.");
+ const auto mandatoryDouble =
+ boost::make_shared<Kernel::MandatoryValidator<double>>();
+ const auto positiveDouble =
+ boost::make_shared<Kernel::BoundedValidator<double>>();
+ positiveDouble->setLower(0.0);
+ positiveDouble->setLowerExclusive(true);
+ const auto mandatoryPositiveDouble =
+ boost::make_shared<Kernel::CompositeValidator>();
+ mandatoryPositiveDouble->add(mandatoryDouble);
+ mandatoryPositiveDouble->add(positiveDouble);
+ declareProperty(PropertyNames::WIDTH, 5.0, mandatoryPositiveDouble,
+ "Half of the integration width in multiplies of 'Sigma'.");
+}
+
+//----------------------------------------------------------------------------------------------
+/** Execute the algorithm.
+ */
+void IntegrateEPP::exec() {
+ API::MatrixWorkspace_sptr inWS = getProperty(PropertyNames::INPUT_WORKSPACE);
+ API::ITableWorkspace_const_sptr eppWS =
+ getProperty(PropertyNames::EPP_WORKSPACE);
+ const double sigmaMultiplier = getProperty(PropertyNames::WIDTH);
+ const auto indexCol = eppWS->getColumn("WorkspaceIndex");
+ const auto sigmaCol = eppWS->getColumn("Sigma");
+ const auto centreCol = eppWS->getColumn("PeakCentre");
+ const auto statusCol = eppWS->getColumn("FitStatus");
+ std::vector<double> begins(inWS->getNumberHistograms(), 0.0);
+ std::vector<double> ends(begins.size(), 0.0);
+ for (size_t i = 0; i < eppWS->rowCount(); ++i) {
+ const std::string &fitStatus = statusCol->cell<std::string>(i);
+ if (fitStatus != "success") {
+ continue;
+ }
+ const double centre = centreCol->toDouble(i);
+ const double halfWidth = sigmaMultiplier * sigmaCol->toDouble(i);
+ const int index = indexCol->cell<int>(i);
+ if (index < 0 || static_cast<size_t>(index) >= begins.size()) {
+ throw std::runtime_error(
+ "The 'WorkspaceIndex' column contains an invalid value.");
+ }
+ begins[index] = centre - halfWidth;
+ ends[index] = centre + halfWidth;
+ interruption_point();
+ }
+ auto integrate = createChildAlgorithm("Integration", 0.0, 1.0);
+ integrate->setProperty("InputWorkspace", inWS);
+ const std::string outWSName = getProperty(PropertyNames::OUTPUT_WORKSPACE);
+ integrate->setPropertyValue("OutputWorkspace", outWSName);
+ integrate->setProperty("RangeLowerList", begins);
+ integrate->setProperty("RangeUpperList", ends);
+ integrate->setProperty("IncludePartialBins", true);
+ integrate->executeAsChildAlg();
+ API::MatrixWorkspace_sptr outWS = integrate->getProperty("OutputWorkspace");
+ setProperty(PropertyNames::OUTPUT_WORKSPACE, outWS);
+}
+
+/** Validate input properties.
+ *
+ * @return A map mapping input property names to discovered issues.
+ */
+std::map<std::string, std::string> IntegrateEPP::validateInputs() {
+ std::map<std::string, std::string> issues;
+ API::MatrixWorkspace_const_sptr inWS =
+ getProperty(PropertyNames::INPUT_WORKSPACE);
+ API::ITableWorkspace_const_sptr eppWS =
+ getProperty(PropertyNames::EPP_WORKSPACE);
+ if (eppWS->rowCount() > inWS->getNumberHistograms()) {
+ issues[PropertyNames::EPP_WORKSPACE] =
+ "The EPP workspace contains too many rows.";
+ }
+ return issues;
+}
+
+} // namespace Algorithms
+} // namespace Mantid
diff --git a/Framework/Algorithms/src/LineProfile.cpp b/Framework/Algorithms/src/LineProfile.cpp
index 1f89fa8c6bb75b3dcf21e09aae71b8fe8b216fa3..85cb5cb2ac17a704aa5ec2c1d07a5f0643228001 100644
--- a/Framework/Algorithms/src/LineProfile.cpp
+++ b/Framework/Algorithms/src/LineProfile.cpp
@@ -306,15 +306,16 @@ void LineProfile::init() {
declareProperty(PropertyNames::HALF_WIDTH, EMPTY_DBL(),
mandatoryPositiveDouble,
"Half of the width over which to calcualte the profile.");
- const std::set<std::string> directions{DirectionChoices::HORIZONTAL,
- DirectionChoices::VERTICAL};
+ const std::array<std::string, 2> directions = {
+ {DirectionChoices::HORIZONTAL, DirectionChoices::VERTICAL}};
declareProperty(PropertyNames::DIRECTION, DirectionChoices::HORIZONTAL,
boost::make_shared<ListValidator<std::string>>(directions),
"Orientation of the profile line.");
declareProperty(PropertyNames::START, EMPTY_DBL(),
"Starting point of the line.");
declareProperty(PropertyNames::END, EMPTY_DBL(), "End point of the line.");
- const std::set<std::string> modes{ModeChoices::AVERAGE, ModeChoices::SUM};
+ const std::array<std::string, 2> modes = {
+ {ModeChoices::AVERAGE, ModeChoices::SUM}};
declareProperty(PropertyNames::MODE, ModeChoices::AVERAGE,
boost::make_shared<ListValidator<std::string>>(modes),
"How the profile is calculated over the line width.");
diff --git a/Framework/Algorithms/src/MergeRuns.cpp b/Framework/Algorithms/src/MergeRuns.cpp
index f6533cadf4591502923bd715f3cbbf5c226421ca..39f3664cefaf3b41c5c6420dc8a7f3b02b9f477f 100644
--- a/Framework/Algorithms/src/MergeRuns.cpp
+++ b/Framework/Algorithms/src/MergeRuns.cpp
@@ -5,14 +5,19 @@
#include "MantidAPI/ADSValidator.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/Axis.h"
+#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceGroup.h"
+#include "MantidDataObjects/WorkspaceCreation.h"
+#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/Instrument.h"
+#include "MantidIndexing/IndexInfo.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/ListValidator.h"
+#include "MantidKernel/PropertyWithValue.h"
#include "MantidKernel/Unit.h"
#include "MantidKernel/make_unique.h"
-#include "MantidDataObjects/WorkspaceCreation.h"
+#include "MantidTypes/SpectrumDefinition.h"
using Mantid::HistogramData::HistogramX;
@@ -28,6 +33,42 @@ using namespace Geometry;
using namespace DataObjects;
using namespace RunCombinationOptions;
+namespace {
+/*
+ * Here we build up the correct time indexes for the workspace being added. If
+ *the scan times for the addee workspace and output workspace are the same this
+ *builds the same indexing as the workspace had before. Otherwise, the correct
+ *time indexes are set here.
+ */
+std::vector<SpectrumDefinition>
+buildScanIntervals(const std::vector<SpectrumDefinition> &addeeSpecDefs,
+ const DetectorInfo &addeeDetInfo,
+ const DetectorInfo &outDetInfo,
+ const DetectorInfo &newOutDetInfo) {
+ std::vector<SpectrumDefinition> newAddeeSpecDefs;
+
+ for (auto &specDef : addeeSpecDefs) {
+ for (auto &index : specDef) {
+ SpectrumDefinition newSpecDef;
+ if (addeeDetInfo.scanInterval(index) == outDetInfo.scanInterval(index)) {
+ newSpecDef.add(index.first, index.second);
+ } else {
+ // Find the correct time index for this entry
+ for (size_t i = 0; i < newOutDetInfo.scanCount(index.first); i++) {
+ if (addeeDetInfo.scanInterval(index) ==
+ newOutDetInfo.scanInterval({index.first, i})) {
+ newSpecDef.add(index.first, i);
+ }
+ }
+ }
+ newAddeeSpecDefs.push_back(newSpecDef);
+ }
+ }
+
+ return newAddeeSpecDefs;
+}
+}
+
/// Initialisation method
void MergeRuns::init() {
// declare arbitrary number of input workspaces as a list of strings at the
@@ -119,7 +160,7 @@ void MergeRuns::exec() {
// At least one is not event workspace ----------------
// This gets the list of workspaces
- m_inMatrixWS = this->validateInputs(inputs);
+ m_inMatrixWS = validateInputs(inputs);
// Iterate over the collection of input workspaces
auto it = m_inMatrixWS.begin();
@@ -133,6 +174,8 @@ void MergeRuns::exec() {
sampleLogsWarn, sampleLogsWarnTolerances, sampleLogsFail,
sampleLogsFailTolerances);
+ auto isScanning = outWS->detectorInfo().isScanning();
+
m_progress = Kernel::make_unique<Progress>(this, 0.0, 1.0, numberOfWSs - 1);
// Note that the iterator is incremented before first pass so that 1st
// workspace isn't added to itself
@@ -168,15 +211,18 @@ void MergeRuns::exec() {
try {
sampleLogsBehaviour.mergeSampleLogs(**it, *outWS);
sampleLogsBehaviour.removeSampleLogsFromWorkspace(*addee);
- outWS = outWS + addee;
+ if (isScanning)
+ outWS = buildScanningOutputWorkspace(outWS, addee);
+ else
+ outWS = outWS + addee;
sampleLogsBehaviour.setUpdatedSampleLogs(*outWS);
sampleLogsBehaviour.readdSampleLogToWorkspace(*addee);
} catch (std::invalid_argument &e) {
if (sampleLogsFailBehaviour == SKIP_BEHAVIOUR) {
- g_log.error()
- << "Could not merge run: " << it->get()->getName()
- << ". Reason: \"" << e.what()
- << "\". MergeRuns will continue but this run will be skipped.\n";
+ g_log.error() << "Could not merge run: " << it->get()->getName()
+ << ". Reason: \"" << e.what()
+ << "\". MergeRuns will continue but this run will be "
+ "skipped.\n";
sampleLogsBehaviour.resetSampleLogs(*outWS);
} else {
throw std::invalid_argument(e);
@@ -190,6 +236,58 @@ void MergeRuns::exec() {
}
}
+MatrixWorkspace_sptr
+MergeRuns::buildScanningOutputWorkspace(const MatrixWorkspace_sptr &outWS,
+ const MatrixWorkspace_sptr &addeeWS) {
+ const auto numOutputSpectra =
+ outWS->getNumberHistograms() + addeeWS->getNumberHistograms();
+
+ MatrixWorkspace_sptr newOutWS = DataObjects::create<MatrixWorkspace>(
+ *outWS, numOutputSpectra, outWS->histogram(0).binEdges());
+
+ newOutWS->mutableDetectorInfo().merge(addeeWS->detectorInfo());
+
+ if (newOutWS->detectorInfo().scanSize() == outWS->detectorInfo().scanSize()) {
+ // In this case the detector info objects were identical. We just add the
+ // workspaces as we normally would for MergeRuns.
+ g_log.information()
+ << "Workspaces had identical detector scan information and were "
+ "merged.";
+ return outWS + addeeWS;
+ } else if (newOutWS->detectorInfo().scanSize() != numOutputSpectra) {
+ throw std::runtime_error("Unexpected DetectorInfo size. Merging workspaces "
+ "with some, but not all overlapping scan "
+ "intervals is not currently supported.");
+ }
+
+ g_log.information()
+ << "Workspaces had different, non-overlapping scan intervals "
+ "so spectra will be appended.";
+
+ auto outSpecDefs = *(outWS->indexInfo().spectrumDefinitions());
+ const auto &addeeSpecDefs = *(addeeWS->indexInfo().spectrumDefinitions());
+
+ const auto newAddeeSpecDefs =
+ buildScanIntervals(addeeSpecDefs, addeeWS->detectorInfo(),
+ outWS->detectorInfo(), newOutWS->detectorInfo());
+
+ outSpecDefs.insert(outSpecDefs.end(), newAddeeSpecDefs.begin(),
+ newAddeeSpecDefs.end());
+
+ auto newIndexInfo = Indexing::IndexInfo(numOutputSpectra);
+ newIndexInfo.setSpectrumDefinitions(std::move(outSpecDefs));
+ newOutWS->setIndexInfo(newIndexInfo);
+
+ for (size_t i = 0; i < outWS->getNumberHistograms(); ++i)
+ newOutWS->setHistogram(i, outWS->histogram(i));
+
+ for (size_t i = 0; i < addeeWS->getNumberHistograms(); ++i)
+ newOutWS->setHistogram(i + outWS->getNumberHistograms(),
+ addeeWS->histogram(i));
+
+ return newOutWS;
+}
+
/** Build up addition tables for merging eventlists together.
* Throws an error if there is any incompatibility.
*/
@@ -208,7 +306,8 @@ void MergeRuns::buildAdditionTables() {
try {
lhs_det_to_wi = lhs->getDetectorIDToWorkspaceIndexMap(true);
} catch (std::runtime_error &) {
- // If it fails, then there are some grouped detector IDs, and the map cannot
+ // If it fails, then there are some grouped detector IDs, and the map
+ // cannot
// exist
}
@@ -221,7 +320,8 @@ void MergeRuns::buildAdditionTables() {
// An addition table is a list of pairs:
// First int = workspace index in the EW being added
- // Second int = workspace index to which it will be added in the OUTPUT EW.
+ // Second int = workspace index to which it will be added in the OUTPUT
+ // EW.
// -1 if it should add a new entry at the end.
AdditionTable table;
@@ -234,7 +334,8 @@ void MergeRuns::buildAdditionTables() {
bool done = false;
- // First off, try to match the workspace indices. Most times, this will be
+ // First off, try to match the workspace indices. Most times, this will
+ // be
// ok right away.
int outWI = inWI;
if (outWI < lhs_nhist) // don't go out of bounds
@@ -381,12 +482,12 @@ static bool compare(MatrixWorkspace_sptr first, MatrixWorkspace_sptr second) {
*
* @param inputWorkspaces The names of the input workspaces
* @throw invalid_argument if there is an incompatibility.
- * @return true if all workspaces are event workspaces and valid. False if any
+ * @return true if all workspaces are event workspaces and valid. False if
+ *any
*are not found,
*/
bool MergeRuns::validateInputsForEventWorkspaces(
const std::vector<std::string> &inputWorkspaces) {
-
m_inEventWS.clear();
// TODO: Check that name of instrument matches - think that's the best
@@ -425,14 +526,16 @@ bool MergeRuns::validateInputsForEventWorkspaces(
}
//------------------------------------------------------------------------------------------------
-/** Checks that the input workspace all exist, that they are the same size, have
+/** Checks that the input workspace all exist, that they are the same size,
+ * have
* the same units
* and the same instrument name. Will throw if they don't.
* @param inputWorkspaces The names of the input workspaces
* @return A list of pointers to the input workspace, ordered by increasing
* frame starting point
* @throw Exception::NotFoundError If an input workspace doesn't exist
- * @throw std::invalid_argument If the input workspaces are not compatible
+ * @throw std::invalid_argument If the input workspaces are not
+ * compatible
*/
std::list<API::MatrixWorkspace_sptr>
MergeRuns::validateInputs(const std::vector<std::string> &inputWorkspaces) {
@@ -484,11 +587,13 @@ MergeRuns::validateInputs(const std::vector<std::string> &inputWorkspaces) {
}
//------------------------------------------------------------------------------------------------
-/** Calculates the parameters to hand to the Rebin algorithm. Specifies the new
+/** Calculates the parameters to hand to the Rebin algorithm. Specifies the
+ * new
* binning, bin-by-bin,
* to cover the full range covered by the two input workspaces. In regions of
* overlap, the bins from
- * the workspace having the wider bins are taken. Note that because the list of
+ * the workspace having the wider bins are taken. Note that because the list
+ * of
* input workspaces
* is sorted, ws1 will always start before (or at the same point as) ws2.
* @param ws1 :: The first input workspace. Will start before ws2.
@@ -515,7 +620,8 @@ void MergeRuns::calculateRebinParams(const API::MatrixWorkspace_const_sptr &ws1,
params.push_back(X1[i] - X1[i - 1]);
params.push_back(X1[i]);
}
- // If the range of workspace2 is completely within that of workspace1, then
+ // If the range of workspace2 is completely within that of workspace1,
+ // then
// call the
// 'inclusion' routine. Otherwise call the standard 'intersection' one.
if (end1 < end2) {
@@ -527,7 +633,8 @@ void MergeRuns::calculateRebinParams(const API::MatrixWorkspace_const_sptr &ws1,
}
//------------------------------------------------------------------------------------------------
-/** Calculates the rebin paramters in the case where the two input workspaces do
+/** Calculates the rebin paramters in the case where the two input workspaces
+ * do
* not overlap at all.
* @param X1 :: The bin boundaries from the first workspace
* @param X2 :: The bin boundaries from the second workspace
@@ -619,7 +726,8 @@ void MergeRuns::inclusionParams(const HistogramX &X1, int64_t &i,
//++overlapbins1;
overlapbins2 = X2.size() - 1;
- // In the overlap region, we want to use whichever one has the larger bins (on
+ // In the overlap region, we want to use whichever one has the larger bins
+ // (on
// average)
if (overlapbins1 + 1 <= overlapbins2) {
// In the case where the first workspace has larger bins it's easy
diff --git a/Framework/Algorithms/src/CalculateResolution.cpp b/Framework/Algorithms/src/NRCalculateSlitResolution.cpp
similarity index 77%
rename from Framework/Algorithms/src/CalculateResolution.cpp
rename to Framework/Algorithms/src/NRCalculateSlitResolution.cpp
index ad4b17eda6d5a661768316e6268a595ff6c4f3e0..0cc420789f5f0300a04428d51de17e658c8456a4 100644
--- a/Framework/Algorithms/src/CalculateResolution.cpp
+++ b/Framework/Algorithms/src/NRCalculateSlitResolution.cpp
@@ -1,4 +1,4 @@
-#include "MantidAlgorithms/CalculateResolution.h"
+#include "MantidAlgorithms/NRCalculateSlitResolution.h"
#include "MantidAPI/InstrumentValidator.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/Run.h"
@@ -18,30 +18,30 @@ using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
// Register the algorithm into the AlgorithmFactory
-DECLARE_ALGORITHM(CalculateResolution)
+DECLARE_ALGORITHM(NRCalculateSlitResolution)
/// Algorithm's name for identification. @see Algorithm::name
-const std::string CalculateResolution::name() const {
- return "CalculateResolution";
+const std::string NRCalculateSlitResolution::name() const {
+ return "NRCalculateSlitResolution";
}
/// Algorithm's version for identification. @see Algorithm::version
-int CalculateResolution::version() const { return 1; }
+int NRCalculateSlitResolution::version() const { return 1; }
/// Algorithm's category for identification. @see Algorithm::category
-const std::string CalculateResolution::category() const {
+const std::string NRCalculateSlitResolution::category() const {
return "Reflectometry\\ISIS";
}
/// Algorithm's summary for use in the GUI and help. @see Algorithm::summary
-const std::string CalculateResolution::summary() const {
+const std::string NRCalculateSlitResolution::summary() const {
return "Calculates the reflectometry resolution (dQ/Q) for a given "
"workspace.";
}
/** Initialize the algorithm's properties.
*/
-void CalculateResolution::init() {
+void NRCalculateSlitResolution::init() {
declareProperty(make_unique<WorkspaceProperty<>>(
"Workspace", "", Direction::Input,
boost::make_shared<InstrumentValidator>()),
@@ -55,44 +55,43 @@ void CalculateResolution::init() {
"Component name of the second slit.");
declareProperty("VerticalGapParameter", "vertical gap",
"Parameter the vertical gap of each slit can be found in.");
- declareProperty("TwoThetaLogName", "Theta",
- "Name two theta can be found in the run log as.");
+ declareProperty("ThetaLogName", "Theta",
+ "Name theta can be found in the run log as.");
declareProperty("Resolution", Mantid::EMPTY_DBL(),
"Calculated resolution (dq/q).", Direction::Output);
- declareProperty("TwoThetaOut", Mantid::EMPTY_DBL(),
- "Two theta scattering angle in degrees.", Direction::Output);
}
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
-void CalculateResolution::exec() {
+void NRCalculateSlitResolution::exec() {
const MatrixWorkspace_sptr ws = getProperty("Workspace");
double twoTheta = getProperty("TwoTheta");
const std::string slit1Name = getProperty("FirstSlitName");
const std::string slit2Name = getProperty("SecondSlitName");
const std::string vGapParam = getProperty("VerticalGapParameter");
- const std::string twoThetaLogName = getProperty("TwoThetaLogName");
+ const std::string thetaLogName = getProperty("ThetaLogName");
+ double theta = 0.0;
- if (isEmpty(twoTheta)) {
- const Kernel::Property *logData =
- ws->mutableRun().getLogData(twoThetaLogName);
+ if (!isEmpty(twoTheta)) {
+ theta = twoTheta / 2.0;
+ } else {
+ const Kernel::Property *logData = ws->mutableRun().getLogData(thetaLogName);
auto logPWV =
dynamic_cast<const Kernel::PropertyWithValue<double> *>(logData);
auto logTSP =
dynamic_cast<const Kernel::TimeSeriesProperty<double> *>(logData);
if (logPWV) {
- twoTheta = *logPWV;
+ theta = *logPWV;
} else if (logTSP && logTSP->realSize() > 0) {
- twoTheta = logTSP->lastValue();
+ theta = logTSP->lastValue();
} else {
throw std::runtime_error(
"Value for two theta could not be found in log.");
}
- g_log.notice() << "Found '" << twoTheta
- << "' as value for two theta in log.\n";
+ g_log.notice() << "Found '" << theta << "' as value for theta in log.\n";
}
Instrument_const_sptr instrument = ws->getInstrument();
@@ -110,7 +109,7 @@ void CalculateResolution::exec() {
"'");
const V3D slitDiff =
- (slit2->getPos() - slit1->getPos()) * 1000; // Convert from mm to m.
+ (slit2->getPos() - slit1->getPos()) * 1000; // Convert from m to mm.
std::vector<double> slit1VGParam = slit1->getNumberParameter(vGapParam);
std::vector<double> slit2VGParam = slit2->getNumberParameter(vGapParam);
@@ -133,11 +132,10 @@ void CalculateResolution::exec() {
sqrt(slitDiff.X() * slitDiff.X() + slitDiff.Y() * slitDiff.Y() +
slitDiff.Z() * slitDiff.Z());
- const double resolution =
- atan(totalVertGap / (2 * slitDist)) * 180.0 / M_PI / twoTheta;
+ double resolution =
+ atan(totalVertGap / slitDist) / (2 * std::tan(theta * M_PI / 180.0));
setProperty("Resolution", resolution);
- setProperty("TwoThetaOut", twoTheta);
}
} // namespace Algorithms
diff --git a/Framework/Algorithms/src/PaddingAndApodization.cpp b/Framework/Algorithms/src/PaddingAndApodization.cpp
index 90b8bca699735d13ac1e49e5deccb53cac701ffc..f6e5086ab4efcae3d14894df9cac81b8bca7321f 100644
--- a/Framework/Algorithms/src/PaddingAndApodization.cpp
+++ b/Framework/Algorithms/src/PaddingAndApodization.cpp
@@ -134,11 +134,11 @@ typedef double (*fptr)(const double time, const double decayConstant);
*/
fptr PaddingAndApodization::getApodizationFunction(const std::string method) {
if (method == "None") {
- return none;
+ return ApodizationFunctions::none;
} else if (method == "Lorentz") {
- return lorentz;
+ return ApodizationFunctions::lorentz;
} else if (method == "Gaussian") {
- return gaussian;
+ return ApodizationFunctions::gaussian;
}
throw std::invalid_argument("The apodization function selected " + method +
" is not a valid option");
diff --git a/Framework/Algorithms/src/Q1DWeighted.cpp b/Framework/Algorithms/src/Q1DWeighted.cpp
index 36fc5177d2c2f4530407f4927210575af9e9b409..d12104bab2f4c436808e876943745427a871f2ea 100644
--- a/Framework/Algorithms/src/Q1DWeighted.cpp
+++ b/Framework/Algorithms/src/Q1DWeighted.cpp
@@ -213,7 +213,7 @@ void Q1DWeighted::exec() {
// For reference - in the case where we don't use sub-pixels, simply
// use:
// double sinTheta = sin( spectrumInfo.twoTheta(i)/2.0 );
- V3D pos = spectrumInfo.position(i) - V3D(sub_x, sub_y, 0.0);
+ V3D pos = spectrumInfo.position(i) - V3D(sub_x, sub_y, 0.0) - samplePos;
double sinTheta = sin(0.5 * pos.angle(beamLine));
double factor = fmp * sinTheta;
double q = factor * 2.0 / (XIn[j] + XIn[j + 1]);
diff --git a/Framework/Algorithms/src/RadiusSum.cpp b/Framework/Algorithms/src/RadiusSum.cpp
index 35423da6be78c9e364db29813167feca5f88d288..41a19326383cbb3811641c64b39b9a2b0ec71e48 100644
--- a/Framework/Algorithms/src/RadiusSum.cpp
+++ b/Framework/Algorithms/src/RadiusSum.cpp
@@ -15,8 +15,6 @@
#include "MantidHistogramData/LinearGenerator.h"
-#include <boost/foreach.hpp>
-
#include <array>
#include <cmath>
#include <limits>
@@ -227,10 +225,11 @@ void RadiusSum::inputValidationSanityCheck() {
throw std::invalid_argument(s.str());
}
- std::vector<double> boundary_limits = getBoundariesOfInputWorkspace();
+ const std::vector<double> boundary_limits = getBoundariesOfInputWorkspace();
std::stringstream s;
- BOOST_FOREACH (auto &value, boundary_limits)
- s << value << " , ";
+ std::copy(boundary_limits.begin(), std::prev(boundary_limits.end()),
+ std::ostream_iterator<double>(s, ", "));
+ s << boundary_limits.back();
g_log.information() << "Boundary limits are: " << s.str() << '\n';
g_log.debug() << "Check: centre is defined inside the region defined by the "
diff --git a/Framework/Algorithms/src/ReflectometryReductionOne.cpp b/Framework/Algorithms/src/ReflectometryReductionOne.cpp
index 94f321352c7a9941dfdd5936038f94c6fdca2171..3d8e2a2dc971cb8260577504d599e7df3bdaac57 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOne.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOne.cpp
@@ -364,8 +364,8 @@ Mantid::API::MatrixWorkspace_sptr ReflectometryReductionOne::toIvsQ(
if (!thetaInDeg.is_initialized()) {
g_log.debug("Calculating final theta.");
- auto correctThetaAlg =
- this->createChildAlgorithm("SpecularReflectionCalculateTheta");
+ auto correctThetaAlg = this->createChildAlgorithm(
+ "SpecularReflectionCalculateTheta", -1, -1, true, 1);
correctThetaAlg->initialize();
correctThetaAlg->setProperty("InputWorkspace", toConvert);
const std::string analysisMode = this->getProperty("AnalysisMode");
@@ -628,15 +628,17 @@ void ReflectometryReductionOne::exec() {
momentumTransferMaximum = calculateQ(IvsLam->x(0).front(), theta.get());
if (isDefault("MomentumTransferStep")) {
// if the DQQ is not given for this run.
- // we will use CalculateResoltion to produce this value
+ // we will use NRCalculateSlitResolution to produce this value
// for us.
- IAlgorithm_sptr calcResAlg = createChildAlgorithm("CalculateResolution");
+ IAlgorithm_sptr calcResAlg =
+ createChildAlgorithm("NRCalculateSlitResolution");
calcResAlg->setProperty("Workspace", runWS);
calcResAlg->setProperty("TwoTheta", theta.get());
calcResAlg->execute();
if (!calcResAlg->isExecuted())
- throw std::runtime_error("CalculateResolution failed. Please manually "
- "enter a value for MomentumTransferStep.");
+ throw std::runtime_error(
+ "NRCalculateSlitResolution failed. Please manually "
+ "enter a value for MomentumTransferStep.");
momentumTransferStep = calcResAlg->getProperty("Resolution");
}
if (momentumTransferMinimum > momentumTransferMaximum)
diff --git a/Framework/Algorithms/src/ReflectometryReductionOne2.cpp b/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
index 181ab0a98afe857255351f6e327cb825fae53810..e6c3288f561814ec1a9a1eb974fd7108c13b003e 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOne2.cpp
@@ -4,18 +4,22 @@
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidGeometry/Objects/BoundingBox.h"
#include "MantidHistogramData/LinearGenerator.h"
#include "MantidIndexing/IndexInfo.h"
#include "MantidKernel/MandatoryValidator.h"
#include "MantidKernel/StringTokenizer.h"
#include "MantidKernel/Unit.h"
#include "MantidGeometry/IDetector.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include <algorithm>
#include <boost/lexical_cast.hpp>
using namespace Mantid::Kernel;
using namespace Mantid::API;
+using namespace Mantid::Geometry;
using namespace Mantid::HistogramData;
using namespace Mantid::Indexing;
@@ -37,27 +41,6 @@ double getDetectorTwoTheta(const SpectrumInfo *spectrumInfo,
return spectrumInfo->signedTwoTheta(spectrumIdx);
}
-/** Get the twoTheta angle range for the top/bottom of the detector associated
-* with the given spectrum
-*
-* @param spectrumInfo : the spectrum info
-* @param spectrumIdx : the workspace index of the spectrum
-* @return : the twoTheta angle in radians
-*/
-double getDetectorTwoThetaRange(const SpectrumInfo *spectrumInfo,
- const size_t spectrumIdx) {
- // Assume the range covered by this pixel is the diff between this
- // pixel's twoTheta and the next/prev pixel)
- double twoTheta = getDetectorTwoTheta(spectrumInfo, spectrumIdx);
- double bTwoTheta = 0;
-
- if (spectrumIdx + 1 < spectrumInfo->size()) {
- bTwoTheta = getDetectorTwoTheta(spectrumInfo, spectrumIdx + 1) - twoTheta;
- }
-
- return bTwoTheta;
-}
-
/** Get the start/end of the lambda range for the detector associated
* with the given spectrum
*
@@ -328,6 +311,34 @@ std::string createProcessingCommandsFromDetectorWS(
return result;
}
+
+/**
+* Get the topbottom extent of a detector for the given axis
+*
+* @param axis [in] : the axis to get the extent for
+* @param top [in] : if true, get the max extent, or min otherwise
+* @return : the max/min extent on the given axis
+*/
+double getBoundingBoxExtent(const BoundingBox &boundingBox,
+ const PointingAlong axis, const bool top) {
+
+ double result = 0.0;
+ switch (axis) {
+ case X:
+ result = top ? boundingBox.xMax() : boundingBox.xMin();
+ break;
+ case Y:
+ result = top ? boundingBox.yMax() : boundingBox.yMin();
+ break;
+ case Z:
+ result = top ? boundingBox.zMax() : boundingBox.zMin();
+ break;
+ default:
+ throw std::runtime_error("Axis is not X/Y/Z");
+ break;
+ }
+ return result;
+}
}
// Register the algorithm into the AlgorithmFactory
@@ -434,7 +445,10 @@ void ReflectometryReductionOne2::exec() {
throw std::invalid_argument(
"InputWorkspace must have units of TOF or Wavelength");
+ // Cache the spectrum info and reference frame
m_spectrumInfo = &m_runWS->spectrumInfo();
+ auto instrument = m_runWS->getInstrument();
+ m_refFrame = instrument->getReferenceFrame();
// Find and cache detector groups and theta0
findDetectorGroups();
@@ -463,6 +477,44 @@ void ReflectometryReductionOne2::exec() {
setProperty("OutputWorkspace", IvsQ);
}
+/** Get the twoTheta angle range for the top/bottom of the detector associated
+* with the given spectrum
+*
+* @param spectrumIdx : the workspace index of the spectrum
+* @return : the twoTheta range in radians
+*/
+double
+ReflectometryReductionOne2::getDetectorTwoThetaRange(const size_t spectrumIdx) {
+
+ double bTwoTheta = 0;
+
+ // Get the sample->detector distance along the beam
+ const V3D detSample =
+ m_spectrumInfo->position(spectrumIdx) - m_spectrumInfo->samplePosition();
+ const double beamOffset =
+ m_refFrame->vecPointingAlongBeam().scalar_prod(detSample);
+ // Get the bounding box for this detector/group
+ BoundingBox boundingBox;
+ auto detector = m_runWS->getDetector(spectrumIdx);
+ detector->getBoundingBox(boundingBox);
+ // Get the top and bottom on the axis pointing up
+ const double top =
+ getBoundingBoxExtent(boundingBox, m_refFrame->pointingUp(), true);
+ const double bottom =
+ getBoundingBoxExtent(boundingBox, m_refFrame->pointingUp(), false);
+ // Calculate the difference in twoTheta between the top and bottom
+ const double twoThetaTop = std::atan(top / beamOffset);
+ const double twoThetaBottom = std::atan(bottom / beamOffset);
+ bTwoTheta = twoThetaTop - twoThetaBottom;
+
+ // We must have non-zero width to project a range
+ if (bTwoTheta < Tolerance) {
+ throw std::runtime_error("Error calculating pixel size.");
+ }
+
+ return bTwoTheta;
+}
+
/**
* Utility function to create a unique workspace name for diagnostic outputs
* based on a given input workspace name
@@ -856,9 +908,19 @@ void ReflectometryReductionOne2::findDetectorGroups() {
return a.front() < b.front();
});
- if (m_detectorGroups.size() == 0) {
+ if (m_detectorGroups.empty()) {
throw std::runtime_error("Invalid processing instructions");
}
+
+ for (const auto &group : m_detectorGroups) {
+ for (const auto &spIdx : group) {
+ if (spIdx > m_spectrumInfo->size() - 1) {
+ throw std::runtime_error(
+ "ProcessingInstructions contains an out-of-range index: " +
+ std::to_string(spIdx));
+ }
+ }
+ }
}
/**
@@ -993,8 +1055,7 @@ void ReflectometryReductionOne2::findIvsLamRange(
const size_t spIdxMin = detectors.front();
const double twoThetaMin = getDetectorTwoTheta(m_spectrumInfo, spIdxMin);
- const double bTwoThetaMin =
- getDetectorTwoThetaRange(m_spectrumInfo, spIdxMin);
+ const double bTwoThetaMin = getDetectorTwoThetaRange(spIdxMin);
// For bLambda, use the average bin size for this spectrum
auto xValues = detectorWS->x(spIdxMin);
double bLambda = (xValues[xValues.size() - 1] - xValues[0]) /
@@ -1004,8 +1065,7 @@ void ReflectometryReductionOne2::findIvsLamRange(
const size_t spIdxMax = detectors.back();
const double twoThetaMax = getDetectorTwoTheta(m_spectrumInfo, spIdxMax);
- const double bTwoThetaMax =
- getDetectorTwoThetaRange(m_spectrumInfo, spIdxMax);
+ const double bTwoThetaMax = getDetectorTwoThetaRange(spIdxMax);
xValues = detectorWS->x(spIdxMax);
bLambda = (xValues[xValues.size() - 1] - xValues[0]) /
static_cast<int>(xValues.size());
@@ -1092,7 +1152,7 @@ ReflectometryReductionOne2::sumInQ(MatrixWorkspace_sptr detectorWS) {
for (auto spIdx : detectors) {
// Get the angle of this detector and its size in twoTheta
const double twoTheta = getDetectorTwoTheta(m_spectrumInfo, spIdx);
- const double bTwoTheta = getDetectorTwoThetaRange(m_spectrumInfo, spIdx);
+ const double bTwoTheta = getDetectorTwoThetaRange(spIdx);
// Check X length is Y length + 1
const auto &inputX = detectorWS->x(spIdx);
@@ -1228,11 +1288,19 @@ void ReflectometryReductionOne2::sumInQShareCounts(
}
// Add a share of the input counts to this bin based on the proportion of
// overlap.
- const double overlapWidth =
- std::min({bLambda, lambdaMax - binStart, binEnd - lambdaMin});
- const double fraction = overlapWidth / totalWidth;
- outputY[outIdx] += inputCounts * fraction;
- outputE[outIdx] += inputErr * fraction;
+ if (totalWidth > Tolerance) {
+ // Share counts out proportionally based on the overlap of this range
+ const double overlapWidth =
+ std::min({bLambda, lambdaMax - binStart, binEnd - lambdaMin});
+ const double fraction = overlapWidth / totalWidth;
+ outputY[outIdx] += inputCounts * fraction;
+ outputE[outIdx] += inputErr * fraction;
+ } else {
+ // Projection to a single value. Put all counts in the overlapping output
+ // bin.
+ outputY[outIdx] += inputCounts;
+ outputE[outIdx] += inputCounts;
+ }
}
}
diff --git a/Framework/Algorithms/src/ReflectometryReductionOneAuto.cpp b/Framework/Algorithms/src/ReflectometryReductionOneAuto.cpp
index 9ee2cbc95904d1c90128e6c7fad94643196b3f79..d2a2701bda63b4f12f4ac9a603b86d1ada1277d9 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOneAuto.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOneAuto.cpp
@@ -526,13 +526,13 @@ void ReflectometryReductionOneAuto::exec() {
momentumTransferMinimum = calculateQ(wavelength_max, theta_in.get());
if (!momentumTransferStep.is_initialized()) {
IAlgorithm_sptr calcResAlg =
- AlgorithmManager::Instance().create("CalculateResolution");
+ AlgorithmManager::Instance().create("NRCalculateSlitResolution");
calcResAlg->setProperty("Workspace", in_ws);
calcResAlg->setProperty("TwoTheta", theta_in.get());
calcResAlg->execute();
if (!calcResAlg->isExecuted())
throw std::runtime_error(
- "CalculateResolution failed. Please manually "
+ "NRCalculateSlitResolution failed. Please manually "
"enter a value in the dQ/Q column.");
double resolution = calcResAlg->getProperty("Resolution");
momentumTransferStep = resolution;
diff --git a/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp b/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
index 0460b06d4e87171e61604774f61cd583a1271090..644eac0b5f3e39ec3ff7cf13fd74652fc020e1fa 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
@@ -410,10 +410,9 @@ ReflectometryReductionOneAuto2::calculateTheta(const std::string &instructions,
alg->setProperty("DetectorComponentName", detectorsOfInterest[0]);
alg->execute();
const double theta = alg->getProperty("TwoTheta");
- // First factor 0.5 detector position, which isexpected to be at 2 * theta
- // Second factor 0.5 comes from SpecularReflectionCalculateTheta, which
- // outputs 2 * theta
- return theta * 0.5 * 0.5;
+ // Take a factor of 0.5 of the detector position, which is expected to be at
+ // 2 * theta
+ return theta * 0.5;
}
/** Set direct beam properties
@@ -522,14 +521,15 @@ ReflectometryReductionOneAuto2::rebinAndScale(MatrixWorkspace_sptr inputWS,
"this algorithm.");
}
- IAlgorithm_sptr calcRes = createChildAlgorithm("CalculateResolution");
+ IAlgorithm_sptr calcRes = createChildAlgorithm("NRCalculateSlitResolution");
calcRes->setProperty("Workspace", inputWS);
calcRes->setProperty("TwoTheta", theta);
calcRes->execute();
if (!calcRes->isExecuted()) {
- g_log.error("CalculateResolution failed. Workspace in Q will not be "
- "rebinned. Please provide dQ/Q.");
+ g_log.error(
+ "NRCalculateSlitResolution failed. Workspace in Q will not be "
+ "rebinned. Please provide dQ/Q.");
return inputWS;
}
qstep = calcRes->getProperty("Resolution");
diff --git a/Framework/Algorithms/src/RemoveBins.cpp b/Framework/Algorithms/src/RemoveBins.cpp
index 91455f52c29634c4443870708eb98ee05cde3da1..d6a57216f2a4449ee442d6f12edea30a1012cf2b 100644
--- a/Framework/Algorithms/src/RemoveBins.cpp
+++ b/Framework/Algorithms/src/RemoveBins.cpp
@@ -4,11 +4,7 @@
#include "MantidAPI/HistogramValidator.h"
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidAPI/WorkspaceUnitValidator.h"
-#include "MantidGeometry/IDetector.h"
-#include "MantidGeometry/Instrument.h"
#include "MantidKernel/BoundedValidator.h"
-#include "MantidKernel/CompositeValidator.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/MandatoryValidator.h"
#include "MantidKernel/Unit.h"
@@ -36,9 +32,7 @@ RemoveBins::RemoveBins()
*
*/
void RemoveBins::init() {
- auto wsValidator = boost::make_shared<CompositeValidator>();
- wsValidator->add<WorkspaceUnitValidator>();
- wsValidator->add<HistogramValidator>();
+ auto wsValidator = boost::make_shared<HistogramValidator>();
declareProperty(make_unique<WorkspaceProperty<>>(
"InputWorkspace", "", Direction::Input, wsValidator),
"The name of the input workspace.");
@@ -53,6 +47,14 @@ void RemoveBins::init() {
"The upper bound of the region to be removed.");
std::vector<std::string> units = UnitFactory::Instance().getKeys();
+
+ // remove some known units that will not work
+ units.erase(std::remove(units.begin(), units.end(), "Empty"));
+ units.erase(std::remove(units.begin(), units.end(), "Label"));
+ units.erase(std::remove(units.begin(), units.end(), "Time"));
+ units.erase(std::remove(units.begin(), units.end(), "Degrees"));
+
+ // add a default do nothing value
units.insert(units.begin(), "AsInput");
declareProperty("RangeUnit", "AsInput",
boost::make_shared<StringListValidator>(units),
@@ -75,17 +77,75 @@ void RemoveBins::init() {
"workspace. Otherwise, all spectra will be acted upon.");
}
+/** Checks cross property validation
+* @returns a map of PropertyName->ErrorMessage
+*/
+std::map<std::string, std::string> RemoveBins::validateInputs() {
+ std::map<std::string, std::string> result;
+ const std::string rangeUnit = getProperty("RangeUnit");
+
+ // Get input workspace
+ m_inputWorkspace = getProperty("InputWorkspace");
+
+ // If that was OK, then we can get their values
+ m_startX = getProperty("XMin");
+ m_endX = getProperty("XMax");
+
+ if (m_startX > m_endX) {
+ const std::string failure("XMax must be greater than XMin.");
+ g_log.error(failure);
+ result["XMax"] = failure;
+ }
+
+ // If WorkspaceIndex has been set it must be valid
+ const int index = getProperty("WorkspaceIndex");
+ if (!isEmpty(index) &&
+ index >= static_cast<int>(m_inputWorkspace->getNumberHistograms())) {
+ std::stringstream failureMsg;
+ failureMsg << "The value of WorkspaceIndex provided (" << index
+ << ") is larger than the size of this workspace ("
+ << m_inputWorkspace->getNumberHistograms() << ")";
+ g_log.error(failureMsg.str());
+ result["WorkspaceIndex"] = failureMsg.str();
+ }
+
+ const std::string interpolation = getProperty("Interpolation");
+ m_interpolate = (interpolation == "Linear");
+
+ const bool unitChange = (rangeUnit != "AsInput");
+ if (unitChange) {
+ std::string errorString = "";
+ if (m_inputWorkspace->axes() == 0)
+ errorString =
+ "A single valued workspace has no unit, which is required for "
+ "this algorithm";
+
+ Kernel::Unit_const_sptr unit = m_inputWorkspace->getAxis(0)->unit();
+ // If m_unitID is empty it means that the workspace must have units, which
+ // can be anything
+ if (unit && (!boost::dynamic_pointer_cast<const Kernel::Unit>(unit))) {
+ errorString =
+ "The workspace must have units if the RangeUnit is not \"AsInput\"";
+ }
+ if (!errorString.empty()) {
+ g_log.error() << "InputWorkspace: " << errorString << "\n";
+ result["InputWorkspace"] = errorString;
+ }
+ }
+ return result;
+}
+
/** Executes the algorithm
*
*/
void RemoveBins::exec() {
- this->checkProperties();
-
// If the X range has been given in a different unit, or if the workspace
// isn't square, then we will need
// to calculate the bin indices to cut out each time.
const std::string rangeUnit = getProperty("RangeUnit");
- const bool unitChange = (rangeUnit != "AsInput" && rangeUnit != "inputUnit");
+ const bool unitChange =
+ (rangeUnit != "AsInput" &&
+ rangeUnit != m_inputWorkspace->getAxis(0)->unit()->unitID());
if (unitChange)
m_rangeUnit = UnitFactory::Instance().create(rangeUnit);
const bool commonBins = WorkspaceHelpers::commonBoundaries(*m_inputWorkspace);
@@ -171,40 +231,6 @@ void RemoveBins::exec() {
m_inputWorkspace.reset();
}
-/** Retrieve the input properties and check that they are valid
- * @throw std::invalid_argument If XMin or XMax are not set, or XMax is less
- * than XMin
- */
-void RemoveBins::checkProperties() {
- // Get input workspace
- m_inputWorkspace = getProperty("InputWorkspace");
-
- // If that was OK, then we can get their values
- m_startX = getProperty("XMin");
- m_endX = getProperty("XMax");
-
- if (m_startX > m_endX) {
- const std::string failure("XMax must be greater than XMin.");
- g_log.error(failure);
- throw std::invalid_argument(failure);
- }
-
- // If WorkspaceIndex has been set it must be valid
- const int index = getProperty("WorkspaceIndex");
- if (!isEmpty(index) &&
- index >= static_cast<int>(m_inputWorkspace->getNumberHistograms())) {
- g_log.error() << "The value of WorkspaceIndex provided (" << index
- << ") is larger than the size of this workspace ("
- << m_inputWorkspace->getNumberHistograms() << ")\n";
- throw Kernel::Exception::IndexError(
- index, m_inputWorkspace->getNumberHistograms() - 1,
- "RemoveBins WorkspaceIndex property");
- }
-
- const std::string interpolation = getProperty("Interpolation");
- m_interpolate = (interpolation == "Linear");
-}
-
/// Calls CropWorkspace as a Child Algorithm to remove bins from the start or
/// end of a square workspace
void RemoveBins::crop(const double &start, const double &end) {
diff --git a/Framework/Algorithms/src/RenameWorkspaces.cpp b/Framework/Algorithms/src/RenameWorkspaces.cpp
index 9a6855d499bc8585e95af1a14b04ae49ecc1ba51..7af32cd87e4807dc7ad30c1331f03c76c3a6214c 100644
--- a/Framework/Algorithms/src/RenameWorkspaces.cpp
+++ b/Framework/Algorithms/src/RenameWorkspaces.cpp
@@ -61,15 +61,15 @@ std::map<std::string, std::string> RenameWorkspaces::validateInputs() {
std::string suffix = getPropertyValue("Suffix");
// Check properties
- if (newWsName.empty() && prefix == "" && suffix == "") {
+ if (newWsName.empty() && prefix.empty() && suffix.empty()) {
errorList["WorkspaceNames"] =
"No list of Workspace names, prefix or suffix has been supplied.";
}
- if (!newWsName.empty() && (prefix != "" || suffix != "")) {
+ if (!newWsName.empty() && (!prefix.empty() || !suffix.empty())) {
errorList["WorkspaceNames"] = "Both a list of workspace names and a prefix "
"or suffix has been supplied.";
- if (prefix != "") {
+ if (!prefix.empty()) {
errorList["Prefix"] = "Both a list of workspace names and a prefix "
"or suffix has been supplied.";
} else {
diff --git a/Framework/Algorithms/src/ResampleX.cpp b/Framework/Algorithms/src/ResampleX.cpp
index 42d065d13e0cdf07e53ddc75b9197adf743d4260..82c462f4fcd50725b9f2c74e4873f577b573a110 100644
--- a/Framework/Algorithms/src/ResampleX.cpp
+++ b/Framework/Algorithms/src/ResampleX.cpp
@@ -114,8 +114,21 @@ map<string, string> ResampleX::validateInputs() {
*/
string determineXMinMax(MatrixWorkspace_sptr inputWS, vector<double> &xmins,
vector<double> &xmaxs) {
- bool updateXMins = xmins.empty(); // they weren't set
- bool updateXMaxs = xmaxs.empty(); // they weren't set
+ const size_t numSpectra = inputWS->getNumberHistograms();
+
+ // pad out the ranges by copying the first value to the rest that are needed
+ if (xmins.size() == 1 && numSpectra > xmins.size()) {
+ const double value = xmins.front();
+ xmins.insert(xmins.end(), numSpectra - xmins.size(), value);
+ }
+ if (xmaxs.size() == 1 && numSpectra > xmaxs.size()) {
+ const double value = xmaxs.front();
+ xmaxs.insert(xmaxs.end(), numSpectra - xmaxs.size(), value);
+ }
+
+ // should the individiual values be calculated?
+ const bool updateXMins = xmins.empty(); // they weren't set
+ const bool updateXMaxs = xmaxs.empty(); // they weren't set
stringstream msg;
@@ -129,7 +142,6 @@ string determineXMinMax(MatrixWorkspace_sptr inputWS, vector<double> &xmins,
xmax_wksp = inputEventWS->getTofMax();
}
- size_t numSpectra = inputWS->getNumberHistograms();
for (size_t i = 0; i < numSpectra; ++i) {
// determine ranges if necessary
if (updateXMins || updateXMaxs) {
@@ -283,7 +295,7 @@ void ResampleX::exec() {
bool inPlace = (inputWS == outputWS); // Rebinning in-place
m_isDistribution = inputWS->isDistribution();
m_isHistogram = inputWS->isHistogramData();
- int numSpectra = static_cast<int>(inputWS->getNumberHistograms());
+ const int numSpectra = static_cast<int>(inputWS->getNumberHistograms());
// the easy parameters
m_useLogBinning = getProperty("LogBinning");
@@ -335,8 +347,8 @@ void ResampleX::exec() {
if (common_limits) {
// get the delta from the first since they are all the same
BinEdges xValues(0);
- double delta = this->determineBinning(xValues.mutableRawData(),
- xmins[0], xmaxs[0]);
+ const double delta = this->determineBinning(xValues.mutableRawData(),
+ xmins[0], xmaxs[0]);
g_log.debug() << "delta = " << delta << "\n";
outputEventWS->setAllX(xValues);
} else {
@@ -348,7 +360,7 @@ void ResampleX::exec() {
for (int wkspIndex = 0; wkspIndex < numSpectra; ++wkspIndex) {
PARALLEL_START_INTERUPT_REGION
BinEdges xValues(0);
- double delta = this->determineBinning(
+ const double delta = this->determineBinning(
xValues.mutableRawData(), xmins[wkspIndex], xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< " xmin=" << xmins[wkspIndex]
@@ -378,7 +390,7 @@ void ResampleX::exec() {
// Set the X axis for each output histogram
MantidVec xValues;
- double delta =
+ const double delta =
this->determineBinning(xValues, xmins[wkspIndex], xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< "\n";
@@ -458,8 +470,8 @@ void ResampleX::exec() {
// create new output X axis
MantidVec XValues_new;
- double delta = this->determineBinning(XValues_new, xmins[wkspIndex],
- xmaxs[wkspIndex]);
+ const double delta = this->determineBinning(XValues_new, xmins[wkspIndex],
+ xmaxs[wkspIndex]);
g_log.debug() << "delta[wkspindex=" << wkspIndex << "] = " << delta
<< "\n";
diff --git a/Framework/Algorithms/src/RunCombinationHelpers/RunCombinationHelper.cpp b/Framework/Algorithms/src/RunCombinationHelpers/RunCombinationHelper.cpp
index 12404cb64efa1fc0e92b5a46a04b3e0b4b4c1bba..c90b3190d76177c5291f7a0e40c9b0bb91b2f661 100644
--- a/Framework/Algorithms/src/RunCombinationHelpers/RunCombinationHelper.cpp
+++ b/Framework/Algorithms/src/RunCombinationHelpers/RunCombinationHelper.cpp
@@ -2,6 +2,7 @@
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/Axis.h"
+#include "MantidGeometry/Instrument/DetectorInfo.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidGeometry/Instrument.h"
@@ -45,10 +46,12 @@ RunCombinationHelper::unWrapGroups(const std::vector<std::string> &inputs) {
*/
void RunCombinationHelper::setReferenceProperties(MatrixWorkspace_sptr ref) {
m_numberSpectra = ref->getNumberHistograms();
+ m_numberDetectors = ref->detectorInfo().size();
m_xUnit = ref->getAxis(0)->unit()->unitID();
m_spectrumAxisUnit = ref->getAxis(1)->unit()->unitID();
m_yUnit = ref->YUnit();
m_isHistogramData = ref->isHistogramData();
+ m_isScanning = ref->detectorInfo().isScanning();
m_instrumentName = ref->getInstrument()->getName();
}
@@ -61,7 +64,7 @@ void RunCombinationHelper::setReferenceProperties(MatrixWorkspace_sptr ref) {
std::string
RunCombinationHelper::checkCompatibility(MatrixWorkspace_sptr ws,
bool checkNumberHistograms) {
- std::string errors;
+ std::string errors = "";
if (ws->getNumberHistograms() != m_numberSpectra && checkNumberHistograms)
errors += "different number of histograms; ";
if (ws->getAxis(0)->unit()->unitID() != m_xUnit)
@@ -72,6 +75,11 @@ RunCombinationHelper::checkCompatibility(MatrixWorkspace_sptr ws,
errors += "different Y units; ";
if (ws->isHistogramData() != m_isHistogramData)
errors += "different distribution or histogram type; ";
+ if (ws->detectorInfo().isScanning() != m_isScanning)
+ errors += "a mix of workspaces with and without detector scans; ";
+ if (m_isScanning && ws->detectorInfo().size() != m_numberDetectors)
+ errors += "workspaces with detectors scans have different number of "
+ "detectors; ";
if (ws->getInstrument()->getName() != m_instrumentName)
errors += "different instrument names; ";
return errors;
diff --git a/Framework/Algorithms/src/SmoothData.cpp b/Framework/Algorithms/src/SmoothData.cpp
index 00c6f94f9793087aabd45fd470a811792f6b6df1..00993ba8b192822a1a8d5c3609b2a7d637642a35 100644
--- a/Framework/Algorithms/src/SmoothData.cpp
+++ b/Framework/Algorithms/src/SmoothData.cpp
@@ -1,6 +1,3 @@
-//----------------------------------------------------------------------
-// Includes
-//----------------------------------------------------------------------
#include "MantidAlgorithms/SmoothData.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataObjects/GroupingWorkspace.h"
@@ -15,6 +12,7 @@ DECLARE_ALGORITHM(SmoothData)
using namespace Kernel;
using namespace API;
+using HistogramData::Histogram;
void SmoothData::init() {
declareProperty(
@@ -88,68 +86,10 @@ void SmoothData::exec() {
"always be odd");
++npts;
}
- int halfWidth = (npts - 1) / 2;
-
- // Copy the X data over. Preserves data sharing if present in input
- // workspace.
- outputWorkspace->setSharedX(i, inputWorkspace->sharedX(i));
-
- // Now get references to the Y & E vectors in the input and output
- // workspaces
- if (npts == 0) {
- outputWorkspace->setSharedY(i, inputWorkspace->sharedY(i));
- outputWorkspace->setSharedE(i, inputWorkspace->sharedE(i));
- continue;
- }
- const auto &Y = inputWorkspace->y(i);
- const auto &E = inputWorkspace->e(i);
- auto &newY = outputWorkspace->mutableY(i);
- auto &newE = outputWorkspace->mutableE(i);
- // Use total to help hold our moving average
- double total = 0.0, totalE = 0.0;
- // First push the values ahead of the current point onto total
- for (int k = 0; k < halfWidth; ++k) {
- if (Y[k] == Y[k])
- total += Y[k]; // Exclude if NaN
- totalE += E[k] * E[k];
- }
- // Now calculate the smoothed values for the 'end' points, where the number
- // contributing
- // to the smoothing will be less than NPoints
- for (int j = 0; j <= halfWidth; ++j) {
- const int index = j + halfWidth;
- if (Y[index] == Y[index])
- total += Y[index]; // Exclude if NaN
- newY[j] = total / (index + 1);
- totalE += E[index] * E[index];
- newE[j] = sqrt(totalE) / (index + 1);
- }
- // This is the main part, where each data point is the average of NPoints
- // points centred on the
- // current point. Note that the statistical error will be reduced by
- // sqrt(npts) because more
- // data is now contributing to each point.
- for (int k = halfWidth + 1; k < vecSize - halfWidth; ++k) {
- const int kp = k + halfWidth;
- const int km = k - halfWidth - 1;
- total += (Y[kp] != Y[kp] ? 0.0 : Y[kp]) -
- (Y[km] != Y[km] ? 0.0 : Y[km]); // Exclude if NaN
- newY[k] = total / npts;
- totalE += E[kp] * E[kp] - E[km] * E[km];
- // Use of a moving average can lead to rounding error where what should be
- // zero actually comes out as a tiny negative number - bad news for sqrt
- // so protect
- newE[k] = std::sqrt(std::abs(totalE)) / npts;
- }
- // This deals with the 'end' at the tail of each spectrum
- for (int l = vecSize - halfWidth; l < vecSize; ++l) {
- const int index = l - halfWidth;
- total -=
- (Y[index - 1] != Y[index - 1] ? 0.0 : Y[index - 1]); // Exclude if NaN
- newY[l] = total / (vecSize - index);
- totalE -= E[index - 1] * E[index - 1];
- newE[l] = std::sqrt(std::abs(totalE)) / (vecSize - index);
- }
+
+ outputWorkspace->setHistogram(i,
+ smooth(inputWorkspace->histogram(i), npts));
+
progress.report();
PARALLEL_END_INTERUPT_REGION
} // Loop over spectra
@@ -192,5 +132,67 @@ int SmoothData::validateSpectrumInGroup(size_t wi) {
return -1;
}
+
+/// Returns a smoothed version of histogram. npts must be odd.
+Histogram smooth(const Histogram &histogram, int npts) {
+ if (npts == 0)
+ return histogram;
+ int halfWidth = (npts - 1) / 2;
+
+ Histogram smoothed(histogram);
+
+ const auto &Y = histogram.y();
+ const auto &E = histogram.e();
+ auto &newY = smoothed.mutableY();
+ auto &newE = smoothed.mutableE();
+ // Use total to help hold our moving average
+ double total = 0.0, totalE = 0.0;
+ // First push the values ahead of the current point onto total
+ for (int k = 0; k < halfWidth; ++k) {
+ if (Y[k] == Y[k])
+ total += Y[k]; // Exclude if NaN
+ totalE += E[k] * E[k];
+ }
+ // Now calculate the smoothed values for the 'end' points, where the number
+ // contributing
+ // to the smoothing will be less than NPoints
+ for (int j = 0; j <= halfWidth; ++j) {
+ const int index = j + halfWidth;
+ if (Y[index] == Y[index])
+ total += Y[index]; // Exclude if NaN
+ newY[j] = total / (index + 1);
+ totalE += E[index] * E[index];
+ newE[j] = sqrt(totalE) / (index + 1);
+ }
+ // This is the main part, where each data point is the average of NPoints
+ // points centred on the
+ // current point. Note that the statistical error will be reduced by
+ // sqrt(npts) because more
+ // data is now contributing to each point.
+ const int vecSize = static_cast<int>(histogram.size());
+ for (int k = halfWidth + 1; k < vecSize - halfWidth; ++k) {
+ const int kp = k + halfWidth;
+ const int km = k - halfWidth - 1;
+ total += (Y[kp] != Y[kp] ? 0.0 : Y[kp]) -
+ (Y[km] != Y[km] ? 0.0 : Y[km]); // Exclude if NaN
+ newY[k] = total / npts;
+ totalE += E[kp] * E[kp] - E[km] * E[km];
+ // Use of a moving average can lead to rounding error where what should be
+ // zero actually comes out as a tiny negative number - bad news for sqrt
+ // so protect
+ newE[k] = std::sqrt(std::abs(totalE)) / npts;
+ }
+ // This deals with the 'end' at the tail of each spectrum
+ for (int l = vecSize - halfWidth; l < vecSize; ++l) {
+ const int index = l - halfWidth;
+ total -=
+ (Y[index - 1] != Y[index - 1] ? 0.0 : Y[index - 1]); // Exclude if NaN
+ newY[l] = total / (vecSize - index);
+ totalE -= E[index - 1] * E[index - 1];
+ newE[l] = std::sqrt(std::abs(totalE)) / (vecSize - index);
+ }
+ return smoothed;
+}
+
} // namespace Algorithms
} // namespace Mantid
diff --git a/Framework/Algorithms/src/SpecularReflectionAlgorithm.cpp b/Framework/Algorithms/src/SpecularReflectionAlgorithm.cpp
index f0ca81a5520483b9670c102424afb1881e57303d..6e2b372a521a82a76b032504d346c04f88586424 100644
--- a/Framework/Algorithms/src/SpecularReflectionAlgorithm.cpp
+++ b/Framework/Algorithms/src/SpecularReflectionAlgorithm.cpp
@@ -116,7 +116,7 @@ void SpecularReflectionAlgorithm::initCommonProperties() {
*/
Mantid::Geometry::IComponent_const_sptr
SpecularReflectionAlgorithm::getSurfaceSampleComponent(
- Mantid::Geometry::Instrument_const_sptr inst) {
+ Mantid::Geometry::Instrument_const_sptr inst) const {
std::string sampleComponent = "some-surface-holder";
if (!isPropertyDefault("SampleComponentName")) {
sampleComponent = this->getPropertyValue("SampleComponentName");
@@ -141,7 +141,7 @@ SpecularReflectionAlgorithm::getSurfaceSampleComponent(
*/
boost::shared_ptr<const Mantid::Geometry::IComponent>
SpecularReflectionAlgorithm::getDetectorComponent(
- MatrixWorkspace_sptr workspace, const bool isPointDetector) {
+ MatrixWorkspace_sptr workspace, const bool isPointDetector) const {
boost::shared_ptr<const IComponent> searchResult;
if (!isPropertyDefault("SpectrumNumbersOfDetectors")) {
const std::vector<int> spectrumNumbers =
@@ -199,5 +199,35 @@ bool SpecularReflectionAlgorithm::isPropertyDefault(
return property->isDefault();
}
+/**
+ * Calculate the twoTheta angle from the detector and sample locations.
+ * @return: twoTheta
+ */
+double SpecularReflectionAlgorithm::calculateTwoTheta() const {
+ MatrixWorkspace_sptr inWS = this->getProperty("InputWorkspace");
+
+ const std::string analysisMode = this->getProperty("AnalysisMode");
+
+ Instrument_const_sptr instrument = inWS->getInstrument();
+
+ IComponent_const_sptr detector =
+ this->getDetectorComponent(inWS, analysisMode == pointDetectorAnalysis);
+
+ IComponent_const_sptr sample = this->getSurfaceSampleComponent(instrument);
+
+ const V3D detSample = detector->getPos() - sample->getPos();
+
+ boost::shared_ptr<const ReferenceFrame> refFrame =
+ instrument->getReferenceFrame();
+
+ const double upoffset = refFrame->vecPointingUp().scalar_prod(detSample);
+ const double beamoffset =
+ refFrame->vecPointingAlongBeam().scalar_prod(detSample);
+
+ const double twoTheta = std::atan2(upoffset, beamoffset) * 180 / M_PI;
+
+ return twoTheta;
+}
+
} // namespace Algorithms
} // namespace Mantid
diff --git a/Framework/Algorithms/src/SpecularReflectionCalculateTheta.cpp b/Framework/Algorithms/src/SpecularReflectionCalculateTheta.cpp
index 056f950441fccba22dbd0e32c0844a13f3724934..a32d69e11ae7d716aef27c9fc20bdecf9f85f712 100644
--- a/Framework/Algorithms/src/SpecularReflectionCalculateTheta.cpp
+++ b/Framework/Algorithms/src/SpecularReflectionCalculateTheta.cpp
@@ -57,27 +57,11 @@ void SpecularReflectionCalculateTheta::init() {
/** Execute the algorithm.
*/
void SpecularReflectionCalculateTheta::exec() {
- MatrixWorkspace_sptr inWS = this->getProperty("InputWorkspace");
- const std::string analysisMode = this->getProperty("AnalysisMode");
-
- Instrument_const_sptr instrument = inWS->getInstrument();
-
- IComponent_const_sptr detector =
- this->getDetectorComponent(inWS, analysisMode == pointDetectorAnalysis);
-
- IComponent_const_sptr sample = this->getSurfaceSampleComponent(instrument);
-
- const V3D detSample = detector->getPos() - sample->getPos();
-
- boost::shared_ptr<const ReferenceFrame> refFrame =
- instrument->getReferenceFrame();
-
- const double upoffset = refFrame->vecPointingUp().scalar_prod(detSample);
- const double beamoffset =
- refFrame->vecPointingAlongBeam().scalar_prod(detSample);
-
- const double twoTheta = 2 * std::atan(upoffset / beamoffset) * 180 / M_PI;
+ // This algorithm expects detectors to actually be at theta rather than
+ // twoTheta (for historical reasons), so we need to multiply by 2 to get the
+ // real twoTheta. v2 of this algorithm works with detectors at twoTheta.
+ const double twoTheta = 2 * calculateTwoTheta();
std::stringstream strstream;
strstream << "Recalculated two theta as: " << twoTheta;
diff --git a/Framework/Algorithms/src/SpecularReflectionCalculateTheta2.cpp b/Framework/Algorithms/src/SpecularReflectionCalculateTheta2.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..6ff88be20cd1fc4d065bc98725d3b5ffc0e27d86
--- /dev/null
+++ b/Framework/Algorithms/src/SpecularReflectionCalculateTheta2.cpp
@@ -0,0 +1,70 @@
+#include "MantidAlgorithms/SpecularReflectionCalculateTheta2.h"
+#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidKernel/PropertyWithValue.h"
+#include "MantidGeometry/IComponent.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidGeometry/Instrument/ReferenceFrame.h"
+
+#include <cmath>
+
+using namespace Mantid::Kernel;
+using namespace Mantid::Geometry;
+using namespace Mantid::API;
+
+namespace {
+const std::string multiDetectorAnalysis = "MultiDetectorAnalysis";
+const std::string lineDetectorAnalysis = "LineDetectorAnalysis";
+const std::string pointDetectorAnalysis = "PointDetectorAnalysis";
+}
+
+namespace Mantid {
+namespace Algorithms {
+
+// Register the algorithm into the AlgorithmFactory
+DECLARE_ALGORITHM(SpecularReflectionCalculateTheta2)
+
+//----------------------------------------------------------------------------------------------
+/// Algorithm's name for identification. @see Algorithm::name
+const std::string SpecularReflectionCalculateTheta2::name() const {
+ return "SpecularReflectionCalculateTheta";
+}
+
+/// Algorithm's version for identification. @see Algorithm::version
+int SpecularReflectionCalculateTheta2::version() const { return 2; }
+
+/// Algorithm's category for identification. @see Algorithm::category
+const std::string SpecularReflectionCalculateTheta2::category() const {
+ return "Reflectometry";
+}
+
+//----------------------------------------------------------------------------------------------
+
+//----------------------------------------------------------------------------------------------
+/** Initialize the algorithm's properties.
+ */
+void SpecularReflectionCalculateTheta2::init() {
+ declareProperty(
+ make_unique<WorkspaceProperty<MatrixWorkspace>>("InputWorkspace", "",
+ Direction::Input),
+ "An Input workspace to calculate the specular relection theta on.");
+ this->initCommonProperties();
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "TwoTheta", Mantid::EMPTY_DBL(), Direction::Output),
+ "Calculated two theta scattering angle in degrees.");
+}
+
+//----------------------------------------------------------------------------------------------
+/** Execute the algorithm.
+ */
+void SpecularReflectionCalculateTheta2::exec() {
+
+ const double twoTheta = calculateTwoTheta();
+
+ this->g_log.information("Recalculated two theta as: " +
+ std::to_string(twoTheta));
+
+ this->setProperty("TwoTheta", twoTheta);
+}
+
+} // namespace Algorithms
+} // namespace Mantid
diff --git a/Framework/Algorithms/src/Stitch1DMany.cpp b/Framework/Algorithms/src/Stitch1DMany.cpp
index afb9e4feefd4a4d3c78f8e8d38006a298f6218a6..77f76abccba7ac53328b35b749bb6657eac50dda 100644
--- a/Framework/Algorithms/src/Stitch1DMany.cpp
+++ b/Framework/Algorithms/src/Stitch1DMany.cpp
@@ -205,7 +205,7 @@ void Stitch1DMany::validateGroupWorkspacesInputs() {
// Log all errors and throw a runtime error if an error is found
validateCommonInputs(errors);
- if (errors.size() > 0) {
+ if (!errors.empty()) {
auto &warnLog = getLogger().warning();
for (const auto &error : errors) {
warnLog << "Invalid value for " << error.first << ": " << error.second
@@ -241,7 +241,7 @@ void Stitch1DMany::validateCommonInputs(
m_useManualScaleFactors = this->getProperty("UseManualScaleFactors");
m_manualScaleFactors = this->getProperty("ManualScaleFactors");
- if (m_manualScaleFactors.size() > 0) {
+ if (!m_manualScaleFactors.empty()) {
if (m_manualScaleFactors.size() == 1) {
// Single value: fill with list of the same scale factor value
m_manualScaleFactors = std::vector<double>(numStitchableWS - 1,
diff --git a/Framework/Algorithms/test/ConvertSpectrumAxis2Test.h b/Framework/Algorithms/test/ConvertSpectrumAxis2Test.h
index 83c658693ea36d77485dbf6e07db6e8918cac067..7ab6a2a94cc6b2eee85e0bed484131319bbff60b 100644
--- a/Framework/Algorithms/test/ConvertSpectrumAxis2Test.h
+++ b/Framework/Algorithms/test/ConvertSpectrumAxis2Test.h
@@ -238,6 +238,48 @@ public:
clean_up_workspaces(inputWS, outputWS);
}
+ void
+ test_Target_ElasticDSpacing_Returns_Correct_Value_When_EFixed_Is_Set_In_Algorithm() {
+ const std::string inputWS("inWS");
+ const std::string outputWS("outWS");
+
+ do_algorithm_run("ElasticDSpacing", inputWS, outputWS, false);
+
+ MatrixWorkspace_const_sptr input, output;
+ TS_ASSERT_THROWS_NOTHING(
+ input = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ inputWS));
+ TS_ASSERT_THROWS_NOTHING(
+ output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ outputWS));
+
+ // Should now have a numeric axis up the side, with units of d
+ const Axis *qAxis = 0;
+ TS_ASSERT_THROWS_NOTHING(qAxis = output->getAxis(1));
+ TS_ASSERT(qAxis->isNumeric());
+ TS_ASSERT_EQUALS(qAxis->unit()->unitID(), "dSpacing");
+
+ TS_ASSERT_DELTA((*qAxis)(0), 71.5464, 1e-4);
+ TS_ASSERT_DELTA((*qAxis)(1), 143.0286, 1e-4);
+ TS_ASSERT_DELTA((*qAxis)(2), 2 * M_PI / DBL_MIN, 1e-10);
+
+ // Check axis is correct length
+ TS_ASSERT_THROWS((*qAxis)(3), Mantid::Kernel::Exception::IndexError);
+
+ TS_ASSERT_EQUALS(input->x(0), output->x(0));
+ TS_ASSERT_EQUALS(input->y(0), output->y(0));
+ TS_ASSERT_EQUALS(input->e(0), output->e(0));
+ TS_ASSERT_EQUALS(input->x(1), output->x(1));
+ TS_ASSERT_EQUALS(input->y(1), output->y(1));
+ TS_ASSERT_EQUALS(input->e(1), output->e(1));
+ TS_ASSERT_EQUALS(input->x(2), output->x(2));
+ TS_ASSERT_EQUALS(input->y(2), output->y(2));
+ TS_ASSERT_EQUALS(input->e(2), output->e(2));
+
+ // Clean up workspaces.
+ clean_up_workspaces(inputWS, outputWS);
+ }
+
void
test_Target_ElasticQSquared_Returns_Correct_Value_When_EFixed_Is_Set_In_Algorithm() {
std::string inputWS("inWS");
diff --git a/Framework/Algorithms/test/DetectorEfficiencyCorUserTest.h b/Framework/Algorithms/test/DetectorEfficiencyCorUserTest.h
index f62c03d88b87e8428659669073e61969529aa7fd..840086691fdd23f11d173981be56d4573e2a322c 100644
--- a/Framework/Algorithms/test/DetectorEfficiencyCorUserTest.h
+++ b/Framework/Algorithms/test/DetectorEfficiencyCorUserTest.h
@@ -74,12 +74,15 @@ public:
if (!inWS)
return;
- const auto eff0 = efficiency(m_Ei);
- for (size_t i = 0; i != outWS->getNumberHistograms(); ++i) {
+ const auto nHisto = outWS->getNumberHistograms();
+ for (size_t i = 0; i != nHisto; ++i) {
+ auto eff0 =
+ i < nHisto / 2 ? efficiencyBank1(m_Ei) : efficiencyBank2(m_Ei);
const auto &ys = outWS->counts(i);
const auto &es = outWS->countStandardDeviations(i);
for (size_t j = 0; j != ys.size(); ++j) {
- const auto eff = efficiency(m_Efs[j]);
+ const auto eff = i < nHisto / 2 ? efficiencyBank1(m_Efs[j])
+ : efficiencyBank2(m_Efs[j]);
// By default, input workspace has y = 2, e = sqrt(2).
TS_ASSERT_DELTA(ys[j], 2 * eff0 / eff, 1e-6);
TS_ASSERT_DELTA(es[j], std::sqrt(2) * eff0 / eff, 1e-6);
@@ -95,17 +98,22 @@ private:
static constexpr double m_Ei = 3.27;
static const int m_numBins = 20;
- static double efficiency(double e) {
+ static double efficiencyBank1(const double e) {
return std::exp(-1.0 / std::sqrt(e)) *
(1.0 - std::exp(-1.0 / std::sqrt(e)));
}
+ static double efficiencyBank2(const double e) {
+ return std::exp(-2.0 / std::sqrt(e)) *
+ (1.0 - std::exp(-2.0 / std::sqrt(e)));
+ }
+
// Final energies.
std::vector<double> m_Efs;
const std::string m_inWSName, m_outWSName;
void createInputWorkSpace() const {
- int numBanks = 1;
+ int numBanks = 2;
int numPixels = 10;
DataObjects::Workspace2D_sptr dataws =
@@ -125,10 +133,13 @@ private:
dataws->getAxis(0)->setUnit("DeltaE");
dataws->mutableRun().addProperty("Ei", double(m_Ei));
// Efficiency formula should be the same as in efficiency().
+ const auto instrument = dataws->getInstrument();
+ auto bank = instrument->getComponentByName("bank1");
dataws->instrumentParameters().addString(
- dataws->getInstrument()->getChild(0).get(), "formula_eff",
- "exp(-1.0/sqrt(e))*(1.0-exp(-1.0/sqrt(e)))");
-
+ bank.get(), "formula_eff", "exp(-1/sqrt(e))*(1-exp(-1/sqrt(e)))");
+ bank = instrument->getComponentByName("bank2");
+ dataws->instrumentParameters().addString(
+ bank.get(), "formula_eff", "exp(-2/sqrt(e))*(1-exp(-2/sqrt(e)))");
API::AnalysisDataService::Instance().addOrReplace(m_inWSName, dataws);
}
};
diff --git a/Framework/Algorithms/test/IntegrateEPPTest.h b/Framework/Algorithms/test/IntegrateEPPTest.h
new file mode 100644
index 0000000000000000000000000000000000000000..c8fc6b68ed0c60ecd4d146e10324994a5c5a887f
--- /dev/null
+++ b/Framework/Algorithms/test/IntegrateEPPTest.h
@@ -0,0 +1,156 @@
+#ifndef MANTID_ALGORITHMS_INTEGRATEEPPTEST_H_
+#define MANTID_ALGORITHMS_INTEGRATEEPPTEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "MantidAlgorithms/IntegrateEPP.h"
+
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+
+using Mantid::Algorithms::IntegrateEPP;
+
+class IntegrateEPPTest : public CxxTest::TestSuite {
+public:
+ // This pair of boilerplate methods prevent the suite being created statically
+ // This means the constructor isn't called when running other tests
+ static IntegrateEPPTest *createSuite() { return new IntegrateEPPTest(); }
+ static void destroySuite(IntegrateEPPTest *suite) { delete suite; }
+
+ void test_Init() {
+ IntegrateEPP alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ }
+
+ void test_normal_operation() {
+ using namespace Mantid::API;
+ using namespace WorkspaceCreationHelper;
+ const size_t nHist = 3;
+ const size_t nBins = 6;
+ auto inputWS = create2DWorkspaceWhereYIsWorkspaceIndex(nHist, nBins + 1);
+ std::vector<EPPTableRow> eppRows(nHist);
+ for (auto &row : eppRows) {
+ row.peakCentre = static_cast<double>(nBins + 1) / 2.0;
+ row.sigma = 1;
+ }
+ auto eppWS = createEPPTableWorkspace(eppRows);
+ IntegrateEPP alg;
+ alg.setChild(true);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("InputWorkspace", inputWS))
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", "_unused_for_child"))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("EPPWorkspace", eppWS))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HalfWidthInSigmas", 1.0))
+ TS_ASSERT_THROWS_NOTHING(alg.execute())
+ TS_ASSERT(alg.isExecuted())
+
+ MatrixWorkspace_sptr outputWS = alg.getProperty("OutputWorkspace");
+ TS_ASSERT(outputWS);
+ TS_ASSERT_EQUALS(outputWS->getNumberHistograms(), nHist)
+ TS_ASSERT_EQUALS(outputWS->blocksize(), 1)
+ for (size_t i = 0; i < outputWS->getNumberHistograms(); ++i) {
+ const auto ys = outputWS->y(i);
+ const auto xs = outputWS->x(i);
+ TS_ASSERT_EQUALS(ys[0], 2.0 * static_cast<double>(i))
+ TS_ASSERT_EQUALS(xs[0], 2.5)
+ TS_ASSERT_EQUALS(xs[1], 4.5)
+ }
+ }
+
+ void test_WorkspaceIndex_column_is_respected() {
+ using namespace Mantid::API;
+ using namespace WorkspaceCreationHelper;
+ const size_t nHist = 3;
+ const size_t nBins = 6;
+ auto inputWS = create2DWorkspaceWhereYIsWorkspaceIndex(nHist, nBins + 1);
+ std::vector<EPPTableRow> eppRows;
+ const double centre = static_cast<double>(nBins + 1) / 2.0;
+ const double sigma = 1.0;
+ eppRows.emplace_back(2, centre, sigma, 0.0,
+ EPPTableRow::FitStatus::SUCCESS);
+ eppRows.emplace_back(0, centre, sigma, 0.0,
+ EPPTableRow::FitStatus::SUCCESS);
+ auto eppWS = createEPPTableWorkspace(eppRows);
+ IntegrateEPP alg;
+ alg.setChild(true);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("InputWorkspace", inputWS))
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", "_unused_for_child"))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("EPPWorkspace", eppWS))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HalfWidthInSigmas", 1.0))
+ TS_ASSERT_THROWS_NOTHING(alg.execute())
+ TS_ASSERT(alg.isExecuted())
+
+ MatrixWorkspace_sptr outputWS = alg.getProperty("OutputWorkspace");
+ TS_ASSERT(outputWS);
+ TS_ASSERT_EQUALS(outputWS->getNumberHistograms(), nHist)
+ TS_ASSERT_EQUALS(outputWS->blocksize(), 1)
+ TS_ASSERT_EQUALS(outputWS->y(0)[0], 2.0 * 0.0)
+ TS_ASSERT_EQUALS(outputWS->x(0)[0], 2.5)
+ TS_ASSERT_EQUALS(outputWS->x(0)[1], 4.5)
+ TS_ASSERT_EQUALS(outputWS->y(1)[0], 0.0)
+ TS_ASSERT_EQUALS(outputWS->x(1)[0], 0.0)
+ TS_ASSERT_EQUALS(outputWS->x(1)[1], 0.0)
+ TS_ASSERT_EQUALS(outputWS->y(2)[0], 2.0 * 2.0)
+ TS_ASSERT_EQUALS(outputWS->x(2)[0], 2.5)
+ TS_ASSERT_EQUALS(outputWS->x(2)[1], 4.5)
+ }
+
+ void test_failure_too_many_epp_rows() {
+ using namespace Mantid::API;
+ using namespace WorkspaceCreationHelper;
+ const size_t nHist = 3;
+ const size_t nBins = 6;
+ auto inputWS = create2DWorkspaceWhereYIsWorkspaceIndex(nHist, nBins + 1);
+ std::vector<EPPTableRow> eppRows(nHist + 1);
+ for (auto &row : eppRows) {
+ row.peakCentre = static_cast<double>(nBins + 1) / 2.0;
+ row.sigma = 1;
+ }
+ auto eppWS = createEPPTableWorkspace(eppRows);
+ IntegrateEPP alg;
+ alg.setChild(true);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("InputWorkspace", inputWS))
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", "_unused_for_child"))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("EPPWorkspace", eppWS))
+ TS_ASSERT_THROWS_ANYTHING(alg.execute())
+ TS_ASSERT(!alg.isExecuted())
+ }
+
+ void test_failure_invalid_index_in_epp_workspace() {
+ using namespace Mantid::API;
+ using namespace WorkspaceCreationHelper;
+ const size_t nHist = 3;
+ const size_t nBins = 6;
+ auto inputWS = create2DWorkspaceWhereYIsWorkspaceIndex(nHist, nBins + 1);
+ std::vector<EPPTableRow> eppRows;
+ const double centre = static_cast<double>(nBins + 1) / 2.0;
+ const double sigma = 1.0;
+ eppRows.emplace_back(3, centre, sigma, 0.0,
+ EPPTableRow::FitStatus::SUCCESS);
+ auto eppWS = createEPPTableWorkspace(eppRows);
+ IntegrateEPP alg;
+ alg.setChild(true);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("InputWorkspace", inputWS))
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", "_unused_for_child"))
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("EPPWorkspace", eppWS))
+ TS_ASSERT_THROWS_ANYTHING(alg.execute())
+ TS_ASSERT(!alg.isExecuted())
+ }
+};
+
+#endif /* MANTID_ALGORITHMS_INTEGRATEEPPTEST_H_ */
diff --git a/Framework/Algorithms/test/MergeRunsTest.h b/Framework/Algorithms/test/MergeRunsTest.h
index aaee7ce7df95a04e3255327f1e543e1b55d49abe..62225386fe7265075b3cf99c6da6adc9edd907f8 100644
--- a/Framework/Algorithms/test/MergeRunsTest.h
+++ b/Framework/Algorithms/test/MergeRunsTest.h
@@ -7,6 +7,8 @@
#include <stdarg.h>
#include "MantidAPI/AnalysisDataService.h"
+#include "MantidGeometry/Instrument/DetectorInfo.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
@@ -22,6 +24,7 @@
#include <boost/make_shared.hpp>
#include <MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h>
#include <MantidAlgorithms/RunCombinationHelpers/SampleLogsBehaviour.h>
+#include "MantidTypes/SpectrumDefinition.h"
using namespace Mantid::API;
using namespace Mantid::Algorithms;
@@ -31,6 +34,8 @@ using namespace Mantid::Kernel;
class MergeRunsTest : public CxxTest::TestSuite {
private:
+ MergeRuns merge;
+
/// Helper method to add an 'nperiods' log value to each workspace in a group.
void add_periods_logs(WorkspaceGroup_sptr ws, bool calculateNPeriods = true,
int nperiods = -1) {
@@ -192,6 +197,43 @@ private:
return group;
}
+ WorkspaceGroup_sptr create_group_detector_scan_workspaces(
+ size_t nTimeIndexes = 2, size_t startTimeForSecondWorkspace = 0) {
+ const int N_HIST = 2;
+ MatrixWorkspace_sptr a = WorkspaceCreationHelper::
+ create2DDetectorScanWorkspaceWithFullInstrument(N_HIST, 1000,
+ nTimeIndexes, 0);
+ MatrixWorkspace_sptr b = WorkspaceCreationHelper::
+ create2DDetectorScanWorkspaceWithFullInstrument(
+ N_HIST, 1000, nTimeIndexes, startTimeForSecondWorkspace);
+
+ // Change the values in the histogram for the workspaces, so we can do
+ // some extra checks
+ for (size_t i = 0; i < a->getNumberHistograms(); ++i) {
+ auto histogram = a->histogram(i);
+ auto &counts = histogram.mutableY();
+ std::transform(counts.begin(), counts.end(), counts.begin(),
+ [](double count) { return count + 1; });
+ a->setHistogram(i, histogram);
+ }
+ for (size_t i = 0; i < b->getNumberHistograms(); ++i) {
+ auto histogram = b->histogram(i);
+ auto &counts = histogram.mutableY();
+ std::transform(counts.begin(), counts.end(), counts.begin(),
+ [](double count) { return count + 2; });
+ b->setHistogram(i, histogram);
+ }
+
+ WorkspaceGroup_sptr group = boost::make_shared<WorkspaceGroup>();
+ group->addWorkspace(a);
+ group->addWorkspace(b);
+
+ AnalysisDataService::Instance().addOrReplace("a1", a);
+ AnalysisDataService::Instance().addOrReplace("b1", b);
+ AnalysisDataService::Instance().addOrReplace("group1", group);
+ return group;
+ }
+
template <typename T>
MatrixWorkspace_sptr create_workspace_with_sample_logs(
const std::string &merge_type, const std::string &merge_list,
@@ -1474,8 +1516,219 @@ public:
do_test_mergeSampleLogs(ws, "prop1", mergeType, "1", 1, true);
}
-private:
- MergeRuns merge;
+ MatrixWorkspace_sptr
+ do_MergeRuns_with_scanning_workspaces(size_t startTime = 0) {
+ auto ws = create_group_detector_scan_workspaces(2, startTime);
+ MatrixWorkspace_sptr outputWS;
+
+ MergeRuns alg;
+ alg.initialize();
+ alg.setPropertyValue("InputWorkspaces", ws->getName());
+ alg.setPropertyValue("OutputWorkspace", "outWS");
+ TS_ASSERT_THROWS_NOTHING(alg.execute();)
+
+ TS_ASSERT_THROWS_NOTHING(
+ outputWS = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ "outWS"));
+
+ return outputWS;
+ }
+
+ void assert_scan_intervals_are_correct(const DetectorInfo &detInfo,
+ bool extraTimes = false) {
+ const auto TIME_1 = DateAndTime(0, 0);
+ const auto TIME_2 = DateAndTime(1, 0);
+ const auto TIME_3 = DateAndTime(3, 0);
+
+ const auto PAIR_1 = std::pair<DateAndTime, DateAndTime>(TIME_1, TIME_2);
+ const auto PAIR_2 = std::pair<DateAndTime, DateAndTime>(TIME_2, TIME_3);
+
+ TS_ASSERT_EQUALS(detInfo.scanInterval({0, 0}), PAIR_1)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({1, 0}), PAIR_1)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({0, 1}), PAIR_2)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({1, 1}), PAIR_2)
+
+ if (extraTimes) {
+ const auto TIME_4 = DateAndTime(20, 0);
+ const auto TIME_5 = DateAndTime(21, 0);
+ const auto TIME_6 = DateAndTime(23, 0);
+
+ const auto PAIR_3 = std::pair<DateAndTime, DateAndTime>(TIME_4, TIME_5);
+ const auto PAIR_4 = std::pair<DateAndTime, DateAndTime>(TIME_5, TIME_6);
+
+ TS_ASSERT_EQUALS(detInfo.scanInterval({0, 2}), PAIR_3)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({1, 2}), PAIR_3)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({0, 3}), PAIR_4)
+ TS_ASSERT_EQUALS(detInfo.scanInterval({1, 3}), PAIR_4)
+ }
+ }
+
+ void assert_scanning_indexing_is_correct(const SpectrumInfo &specInfo,
+ bool extraSpectra = false) {
+
+ for (size_t i = 0; i < specInfo.size(); ++i) {
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(i).size(), 1)
+ }
+
+ const auto SPEC_DEF_1 = std::pair<size_t, size_t>(0, 0);
+ const auto SPEC_DEF_2 = std::pair<size_t, size_t>(0, 1);
+ const auto SPEC_DEF_3 = std::pair<size_t, size_t>(1, 0);
+ const auto SPEC_DEF_4 = std::pair<size_t, size_t>(1, 1);
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(0)[0], SPEC_DEF_1)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(1)[0], SPEC_DEF_2)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(2)[0], SPEC_DEF_3)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(3)[0], SPEC_DEF_4)
+
+ if (extraSpectra) {
+ const auto SPEC_DEF_5 = std::pair<size_t, size_t>(0, 2);
+ const auto SPEC_DEF_6 = std::pair<size_t, size_t>(0, 3);
+ const auto SPEC_DEF_7 = std::pair<size_t, size_t>(1, 2);
+ const auto SPEC_DEF_8 = std::pair<size_t, size_t>(1, 3);
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(4)[0], SPEC_DEF_5)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(5)[0], SPEC_DEF_6)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(6)[0], SPEC_DEF_7)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(7)[0], SPEC_DEF_8)
+ } else {
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(4)[0], SPEC_DEF_1)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(5)[0], SPEC_DEF_2)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(6)[0], SPEC_DEF_3)
+ TS_ASSERT_EQUALS(specInfo.spectrumDefinition(7)[0], SPEC_DEF_4)
+ }
+ }
+
+ void
+ assert_scanning_histograms_correctly_set(const MatrixWorkspace_sptr &ws) {
+ TS_ASSERT_EQUALS(ws->histogram(0).y()[0], 1)
+ TS_ASSERT_EQUALS(ws->histogram(1).y()[0], 1)
+ TS_ASSERT_EQUALS(ws->histogram(2).y()[0], 1)
+ TS_ASSERT_EQUALS(ws->histogram(3).y()[0], 1)
+ TS_ASSERT_EQUALS(ws->histogram(4).y()[0], 2)
+ TS_ASSERT_EQUALS(ws->histogram(5).y()[0], 2)
+ TS_ASSERT_EQUALS(ws->histogram(6).y()[0], 2)
+ TS_ASSERT_EQUALS(ws->histogram(7).y()[0], 2)
+ }
+
+ void
+ test_merging_detector_scan_workspaces_with_different_start_times_appends_workspaces() {
+ auto outputWS = do_MergeRuns_with_scanning_workspaces(20);
+
+ const auto &detInfo = outputWS->detectorInfo();
+ TS_ASSERT_EQUALS(detInfo.size(), 2)
+ TS_ASSERT_EQUALS(detInfo.scanCount(0), 4)
+ TS_ASSERT_EQUALS(detInfo.scanCount(1), 4)
+ assert_scan_intervals_are_correct(detInfo, true);
+
+ const auto &specInfo = outputWS->spectrumInfo();
+ TS_ASSERT_EQUALS(specInfo.size(), 8)
+
+ assert_scanning_indexing_is_correct(specInfo, true);
+ assert_scanning_histograms_correctly_set(outputWS);
+ }
+
+ void
+ test_merging_detector_scan_workspaces_with_overlapping_time_intervals_throws() {
+ auto ws = create_group_detector_scan_workspaces(2, 1);
+
+ MergeRuns alg;
+ alg.initialize();
+ alg.setChild(true);
+ alg.setPropertyValue("InputWorkspaces", ws->getName());
+ alg.setPropertyValue("OutputWorkspace", "outWS");
+ TS_ASSERT_THROWS_EQUALS(alg.execute(), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "sync scan intervals "
+ "overlap but not identical")
+ }
+
+ void test_merging_detector_scan_workspaces_does_not_append_workspaces() {
+ auto outputWS = do_MergeRuns_with_scanning_workspaces();
+
+ TS_ASSERT_EQUALS(outputWS->detectorInfo().size(), 2)
+ TS_ASSERT_EQUALS(outputWS->detectorInfo().scanCount(0), 2)
+ TS_ASSERT_EQUALS(outputWS->getNumberHistograms(), 4)
+
+ // Check bins are set correctly
+ TS_ASSERT_EQUALS(outputWS->histogram(0).y()[0], 3)
+ TS_ASSERT_EQUALS(outputWS->histogram(1).y()[0], 3)
+ TS_ASSERT_EQUALS(outputWS->histogram(2).y()[0], 3)
+ TS_ASSERT_EQUALS(outputWS->histogram(3).y()[0], 3)
+ }
+
+ void test_merging_detector_scan_workspaces_with_different_positions_throws() {
+ auto ws = create_group_detector_scan_workspaces(2);
+
+ auto wsA =
+ AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("a1");
+
+ wsA->mutableDetectorInfo().setPosition(std::pair<size_t, size_t>(0, 0),
+ V3D(5, 6, 7));
+ MergeRuns alg;
+ alg.initialize();
+ alg.setChild(true);
+ alg.setPropertyValue("InputWorkspaces", ws->getName());
+ alg.setPropertyValue("OutputWorkspace", "outWS");
+ TS_ASSERT_THROWS_EQUALS(alg.execute(), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "matching scan interval but "
+ "positions differ")
+ }
+
+ void test_merging_partially_overlapping_detector_scan_workspaces_throws() {
+ MatrixWorkspace_sptr a = WorkspaceCreationHelper::
+ create2DDetectorScanWorkspaceWithFullInstrument(2, 1000, 2, 0);
+ MatrixWorkspace_sptr b = WorkspaceCreationHelper::
+ create2DDetectorScanWorkspaceWithFullInstrument(2, 1000, 2, 0, 2);
+
+ AnalysisDataService::Instance().addOrReplace("a", a);
+ AnalysisDataService::Instance().addOrReplace("b", b);
+
+ MergeRuns alg;
+ alg.initialize();
+ alg.setChild(true);
+ alg.setPropertyValue("InputWorkspaces", "a, b");
+ alg.setPropertyValue("OutputWorkspace", "outWS");
+ TS_ASSERT_THROWS_EQUALS(alg.execute(), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "sync scan intervals "
+ "overlap but not identical")
+ }
+
+ void test_merging_detector_scan_workspaces_failure_case() {
+ auto ws = create_group_detector_scan_workspaces(2);
+
+ auto wsA =
+ AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("a1");
+ Property *prop1 = new PropertyWithValue<int>("prop1", 1);
+ wsA->mutableRun().addLogData(prop1);
+
+ auto wsB =
+ AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("b1");
+ Property *prop2 = new PropertyWithValue<int>("prop1", 2);
+ wsB->mutableRun().addLogData(prop2);
+
+ MergeRuns alg;
+ alg.initialize();
+ alg.setPropertyValue("InputWorkspaces", ws->getName());
+ alg.setPropertyValue("OutputWorkspace", "outWS");
+ alg.setPropertyValue("SampleLogsFail", "prop1");
+
+ TS_ASSERT_THROWS_NOTHING(alg.execute();)
+
+ MatrixWorkspace_sptr outputWS;
+ TS_ASSERT_THROWS_NOTHING(
+ outputWS = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ "outWS"));
+
+ TS_ASSERT_EQUALS(outputWS->detectorInfo().size(), 2)
+ TS_ASSERT_EQUALS(outputWS->detectorInfo().scanCount(0), 2)
+ TS_ASSERT_EQUALS(outputWS->getNumberHistograms(), 4)
+
+ // Check bins are set correctly
+ TS_ASSERT_EQUALS(outputWS->histogram(0).y()[0], 1)
+ TS_ASSERT_EQUALS(outputWS->histogram(1).y()[0], 1)
+ TS_ASSERT_EQUALS(outputWS->histogram(2).y()[0], 1)
+ TS_ASSERT_EQUALS(outputWS->histogram(3).y()[0], 1)
+ }
};
#endif /*MERGERUNSTEST_H_*/
diff --git a/Framework/Algorithms/test/CalculateResolutionTest.h b/Framework/Algorithms/test/NRCalculateSlitResolutionTest.h
similarity index 54%
rename from Framework/Algorithms/test/CalculateResolutionTest.h
rename to Framework/Algorithms/test/NRCalculateSlitResolutionTest.h
index 19ed6d382072a7be8504d38a8583a7a4e363f238..ae2ef149e388fb54ef79745ba60b5761064e5b82 100644
--- a/Framework/Algorithms/test/CalculateResolutionTest.h
+++ b/Framework/Algorithms/test/NRCalculateSlitResolutionTest.h
@@ -1,13 +1,16 @@
-#ifndef CALCULATERESOLUTIONTEST_H_
-#define CALCULATERESOLUTIONTEST_H_
+#ifndef NRCALCULATESLITRESOLUTIONTEST_H_
+#define NRCALCULATESLITRESOLUTIONTEST_H_
#include <cxxtest/TestSuite.h>
-#include "MantidAlgorithms/CalculateResolution.h"
+#include "MantidAlgorithms/NRCalculateSlitResolution.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/AnalysisDataService.h"
+#include "MantidAPI/Run.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/Detector.h"
+#include "MantidKernel/PropertyWithValue.h"
+#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/V3D.h"
using namespace Mantid::Algorithms;
@@ -16,13 +19,13 @@ using namespace Mantid::DataObjects;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
-class CalculateResolutionTest : public CxxTest::TestSuite {
+class NRCalculateSlitResolutionTest : public CxxTest::TestSuite {
public:
- void testCalculateResolutionX() {
+ void testNRCalculateSlitResolutionX() {
auto ws =
createWorkspace("testCalcResWS2", V3D(1, 0, 0), 0.5, V3D(0, 0, 0), 1);
- CalculateResolution alg;
+ NRCalculateSlitResolution alg;
alg.initialize();
alg.setPropertyValue("Workspace", ws->getName());
alg.setProperty("TwoTheta", 1.0);
@@ -30,14 +33,14 @@ public:
TS_ASSERT(alg.isExecuted());
const double res = alg.getProperty("Resolution");
- TS_ASSERT_DELTA(res, 0.0429, 0.0001);
+ TS_ASSERT_DELTA(res, 0.0859414, 1e-6);
}
- void testCalculateResolutionZ() {
+ void testNRCalculateSlitResolutionZ() {
auto ws =
createWorkspace("testCalcResWS", V3D(0, 0, 0), 1, V3D(0, 0, 1), 0.5);
- CalculateResolution alg;
+ NRCalculateSlitResolution alg;
alg.initialize();
alg.setPropertyValue("Workspace", ws->getName());
alg.setProperty("TwoTheta", 1.0);
@@ -45,7 +48,48 @@ public:
TS_ASSERT(alg.isExecuted());
const double res = alg.getProperty("Resolution");
- TS_ASSERT_DELTA(res, 0.0429, 0.0001);
+ TS_ASSERT_DELTA(res, 0.0859414, 1e-6);
+ }
+
+ void testNRCalculateSlitResolutionThetaFromLog() {
+ // Test getting theta from a log property with value
+ // Test using the default log name
+ auto ws =
+ createWorkspace("testCalcResLogWS", V3D(0, 0, 0), 1, V3D(0, 0, 1), 0.5);
+
+ PropertyWithValue<double> *p =
+ new PropertyWithValue<double>("Theta", 0.5); // default name is Theta
+ ws->mutableRun().addLogData(p);
+
+ NRCalculateSlitResolution alg;
+ alg.initialize();
+ alg.setPropertyValue("Workspace", ws->getName());
+ TS_ASSERT_THROWS_NOTHING(alg.execute());
+ TS_ASSERT(alg.isExecuted());
+
+ const double res = alg.getProperty("Resolution");
+ TS_ASSERT_DELTA(res, 0.0859414, 1e-6);
+ }
+
+ void testNRCalculateSlitResolutionThetaFromTimeSeriesLog() {
+ // Test getting theta from a time series property
+ // Test using a non-default log name
+ auto ws =
+ createWorkspace("testCalcTSWS", V3D(0, 0, 0), 1, V3D(0, 0, 1), 0.5);
+
+ TimeSeriesProperty<double> *p = new TimeSeriesProperty<double>("ThetaTSP");
+ TS_ASSERT_THROWS_NOTHING(p->addValue("2007-11-30T16:17:00", 0.5));
+ ws->mutableRun().addProperty(p, true);
+
+ NRCalculateSlitResolution alg;
+ alg.initialize();
+ alg.setPropertyValue("Workspace", ws->getName());
+ alg.setProperty("ThetaLogName", "ThetaTSP");
+ TS_ASSERT_THROWS_NOTHING(alg.execute());
+ TS_ASSERT(alg.isExecuted());
+
+ const double res = alg.getProperty("Resolution");
+ TS_ASSERT_DELTA(res, 0.0859414, 1e-6);
}
Workspace2D_sptr createWorkspace(std::string name, V3D s1Pos, double s1VG,
@@ -92,4 +136,4 @@ public:
}
};
-#endif /*CALCULATERESOLUTIONTEST_H_*/
+#endif /*NRCALCULATESLITRESOLUTIONTEST_H_*/
diff --git a/Framework/Algorithms/test/ReflectometryReductionOne2Test.h b/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
index a81db535a25473585f77dc4c8a3e26cb88f5bd66..66c6b76ee504fe00e961d1d49d8b648e56261ad7 100644
--- a/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
+++ b/Framework/Algorithms/test/ReflectometryReductionOne2Test.h
@@ -18,6 +18,7 @@ using namespace WorkspaceCreationHelper;
class ReflectometryReductionOne2Test : public CxxTest::TestSuite {
private:
+ MatrixWorkspace_sptr m_singleDetectorWS;
MatrixWorkspace_sptr m_multiDetectorWS;
MatrixWorkspace_sptr m_transmissionWS;
@@ -33,6 +34,8 @@ public:
ReflectometryReductionOne2Test() {
FrameworkManager::Instance();
+ // A single detector ws
+ m_singleDetectorWS = create2DWorkspaceWithReflectometryInstrument(0);
// A multi detector ws
m_multiDetectorWS =
create2DWorkspaceWithReflectometryInstrumentMultiDetector(0, 0.1);
@@ -447,12 +450,12 @@ public:
alg.setProperty("ThetaIn", 25.0);
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 12);
- TS_ASSERT_DELTA(outLam->x(0)[0], 0.927132, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[3], 5.165740, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[7], 10.817217, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 2.773699, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[3], 2.828460, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[7], 2.816935, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], 0.934991, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[3], 5.173599, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[7], 10.825076, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 2.768185, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[3], 2.792649, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 2.787410, 1e-6);
}
void test_sum_in_q_non_flat_sample() {
@@ -469,12 +472,12 @@ public:
alg.setProperty("ReductionType", "NonFlatSample");
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 10);
- TS_ASSERT_DELTA(outLam->x(0)[0], 0.822974, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[3], 5.061582, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[7], 10.713059, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 3.140302, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[3], 3.140457, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[7], 3.140644, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], 0.825488, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[3], 5.064095, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[7], 10.715573, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 3.141858, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[3], 3.141885, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 3.141920, 1e-6);
}
void test_sum_in_q_direct_beam() {
@@ -492,12 +495,12 @@ public:
alg.setProperty("ThetaIn", 25.0);
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 11);
- TS_ASSERT_DELTA(outLam->x(0)[0], 0.913144, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[3], 5.151752, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[7], 10.803229, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 0.447237, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[3], 0.454605, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[7], 0.451946, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], 0.920496, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[3], 5.159104, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[7], 10.810581, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 0.446571, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[3], 0.449843, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 0.448591, 1e-6);
}
void test_sum_in_q_monitor_normalization() {
@@ -527,12 +530,12 @@ public:
alg.setProperty("ThetaIn", 25.0);
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 13);
- TS_ASSERT_DELTA(outLam->x(0)[0], -0.742692, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[5], 6.321654, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[9], 11.973131, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 5.044175, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[5], 2.118472, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[9], 2.280546, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], -0.748671, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[5], 6.315674, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[9], 11.967151, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 5.040302, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[5], 2.193649, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[9], 2.255101, 1e-6);
}
void test_sum_in_q_transmission_correction_run() {
@@ -546,12 +549,12 @@ public:
alg.setProperty("ThetaIn", 25.0);
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 12);
- TS_ASSERT_DELTA(outLam->x(0)[0], 0.927132, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[3], 5.165740, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[7], 10.817217, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 0.620714, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[3], 0.899935, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[7], 0.896268, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], 0.934991, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[3], 5.173599, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[7], 10.825076, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 0.631775, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[3], 0.888541, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 0.886874, 1e-6);
}
void test_sum_in_q_exponential_correction() {
@@ -567,12 +570,12 @@ public:
alg.setProperty("C1", 0.1);
MatrixWorkspace_sptr outLam = runAlgorithmLam(alg, 11);
- TS_ASSERT_DELTA(outLam->x(0)[0], 0.913144, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[3], 5.151752, 1e-6);
- TS_ASSERT_DELTA(outLam->x(0)[7], 10.803229, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[0], 16.353662, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[3], 24.261270, 1e-6);
- TS_ASSERT_DELTA(outLam->y(0)[7], 39.844321, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[0], 0.920496, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[3], 5.159104, 1e-6);
+ TS_ASSERT_DELTA(outLam->x(0)[7], 10.810581, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[0], 16.351599, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[3], 23.963539, 1e-6);
+ TS_ASSERT_DELTA(outLam->y(0)[7], 39.756738, 1e-6);
}
void test_sum_in_q_IvsQ() {
@@ -590,13 +593,38 @@ public:
MatrixWorkspace_sptr outQ = runAlgorithmQ(alg, 11);
// X range in outQ
- TS_ASSERT_DELTA(outQ->x(0)[0], 0.292253, 1e-6);
- TS_ASSERT_DELTA(outQ->x(0)[3], 0.393656, 1e-6);
- TS_ASSERT_DELTA(outQ->x(0)[7], 0.732554, 1e-6);
+ TS_ASSERT_DELTA(outQ->x(0)[0], 0.292122, 1e-6);
+ TS_ASSERT_DELTA(outQ->x(0)[3], 0.393419, 1e-6);
+ TS_ASSERT_DELTA(outQ->x(0)[7], 0.731734, 1e-6);
// Y counts
- TS_ASSERT_DELTA(outQ->y(0)[0], 2.891639, 1e-6);
- TS_ASSERT_DELTA(outQ->y(0)[3], 2.854571, 1e-6);
- TS_ASSERT_DELTA(outQ->y(0)[7], 2.871364, 1e-6);
+ TS_ASSERT_DELTA(outQ->y(0)[0], 2.852088, 1e-6);
+ TS_ASSERT_DELTA(outQ->y(0)[3], 2.833380, 1e-6);
+ TS_ASSERT_DELTA(outQ->y(0)[7], 2.841288, 1e-6);
+ }
+
+ void test_sum_in_q_IvsQ_point_detector() {
+ // Test IvsQ workspace for a point detector
+ // No monitor normalization
+ // No direct beam normalization
+ // No transmission correction
+ // Processing instructions : 0
+
+ ReflectometryReductionOne2 alg;
+ setupAlgorithm(alg, 1.5, 15.0, "0");
+ alg.setProperty("InputWorkspace", m_singleDetectorWS);
+ alg.setProperty("SummationType", "SumInQ");
+ alg.setProperty("ReductionType", "DivergentBeam");
+ alg.setProperty("ThetaIn", 25.0);
+ MatrixWorkspace_sptr outQ = runAlgorithmQ(alg, 28);
+
+ // X range in outQ
+ TS_ASSERT_DELTA(outQ->x(0)[0], 0.279882, 1e-6);
+ TS_ASSERT_DELTA(outQ->x(0)[3], 0.310524, 1e-6);
+ TS_ASSERT_DELTA(outQ->x(0)[7], 0.363599, 1e-6);
+ // Y counts
+ TS_ASSERT_DELTA(outQ->y(0)[0], 2.900305, 1e-6);
+ TS_ASSERT_DELTA(outQ->y(0)[3], 2.886947, 1e-6);
+ TS_ASSERT_DELTA(outQ->y(0)[7], 2.607359, 1e-6);
}
private:
diff --git a/Framework/Algorithms/test/RemoveBinsTest.h b/Framework/Algorithms/test/RemoveBinsTest.h
index 5513c2e71160cc04f37426f84215874c693d1463..24b2e67a1a42ebde47bbd22fedca574888f1068b 100644
--- a/Framework/Algorithms/test/RemoveBinsTest.h
+++ b/Framework/Algorithms/test/RemoveBinsTest.h
@@ -15,6 +15,7 @@
#include "MantidDataObjects/Workspace2D.h"
#include "MantidHistogramData/LinearGenerator.h"
#include "MantidKernel/UnitFactory.h"
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::Algorithms;
using namespace Mantid::API;
@@ -188,33 +189,39 @@ public:
AnalysisDataService::Instance().remove(outputWSName);
}
- void xtestRealData() {
- Mantid::DataHandling::LoadMuonNexus2 loader;
- loader.initialize();
- loader.setPropertyValue("Filename", "emu00006473.nxs");
- loader.setPropertyValue("OutputWorkspace", "EMU6473");
- loader.execute();
- TS_ASSERT(loader.isExecuted())
-
- // Test removing time bins from the front
- alg2.initialize();
- TS_ASSERT(alg2.isInitialized())
-
- alg2.setPropertyValue("InputWorkspace", "EMU6473");
- alg2.setPropertyValue("OutputWorkspace", "result1");
- alg2.setPropertyValue("XMin", "-0.255");
- alg2.setPropertyValue("XMax", "-0.158");
-
+ void testRangeUnit() {
+ MatrixWorkspace_sptr inputWS =
+ WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(1, 10);
+ // scale x values up to 0-1000 range
+ inputWS->getSpectrum(0).mutableX() *= 100;
+ std::string wsName = "RemoveBins_RangeUnit";
+ std::string wsNameOutput = wsName + "_Output";
+ AnalysisDataService::Instance().addOrReplace(wsName, inputWS);
+
+ RemoveBins algRU;
+
+ algRU.initialize();
+ TS_ASSERT_THROWS_NOTHING(algRU.setPropertyValue("InputWorkspace", wsName);)
+ algRU.setPropertyValue("OutputWorkspace", wsNameOutput);
+ algRU.setPropertyValue("XMin", "0.05");
+ algRU.setPropertyValue("XMax", "0.1");
+ algRU.setPropertyValue("RangeUnit", "Wavelength");
try {
- TS_ASSERT_EQUALS(alg2.execute(), true);
+ TS_ASSERT_EQUALS(algRU.execute(), true);
} catch (std::runtime_error &e) {
TS_FAIL(e.what());
}
+ if (algRU.isExecuted() == false)
+ return;
MatrixWorkspace_const_sptr outputWS =
- AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>("result1");
+ AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
+ wsNameOutput);
- TS_ASSERT_EQUALS(outputWS->x(0).size(), 1994);
+ std::vector<double> expected = {2, 2, 2, 1.68054, 0, 0, 0.638921, 2, 2, 2};
+ for (size_t i = 0; i < outputWS->y(0).size(); i++) {
+ TS_ASSERT_DELTA(outputWS->y(0)[i], expected[i], 0.0001);
+ }
}
Workspace2D_sptr makeDummyWorkspace2D() {
@@ -234,9 +241,6 @@ public:
testWorkspace->mutableY(1) = std::move(Y);
testWorkspace->mutableE(1) = std::move(E);
- testWorkspace->getAxis(0)->unit() =
- Mantid::Kernel::UnitFactory::Instance().create("TOF");
-
AnalysisDataService::Instance().addOrReplace("input2D", testWorkspace);
return testWorkspace;
diff --git a/Framework/Algorithms/test/RunCombinationHelperTest.h b/Framework/Algorithms/test/RunCombinationHelperTest.h
index 009a416f0f8755e77749c9bbe5393db5949e42c4..3545278c02b8566f13f1ef4bde72be731ae3138d 100644
--- a/Framework/Algorithms/test/RunCombinationHelperTest.h
+++ b/Framework/Algorithms/test/RunCombinationHelperTest.h
@@ -4,15 +4,19 @@
#include <cxxtest/TestSuite.h>
#include "MantidAlgorithms/RunCombinationHelpers/RunCombinationHelper.h"
+#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidGeometry/Instrument/DetectorInfo.h"
+#include "MantidAlgorithms/CreateSampleWorkspace.h"
#include "MantidAlgorithms/GroupWorkspaces.h"
#include "MantidKernel/UnitFactory.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using Mantid::Algorithms::RunCombinationHelper;
using Mantid::Algorithms::GroupWorkspaces;
+using Mantid::Algorithms::CreateSampleWorkspace;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace WorkspaceCreationHelper;
@@ -118,6 +122,34 @@ public:
"different X units; different spectrum axis units; ");
}
+ void test_scanning_workspaces_throw_no_error() {
+ const auto scanWS1 = createSampleScanningWorkspace(2);
+ const auto scanWS2 = createSampleScanningWorkspace(2);
+
+ m_testee.setReferenceProperties(scanWS1);
+ TS_ASSERT(m_testee.checkCompatibility(scanWS2).empty());
+ }
+
+ void test_mix_of_scanning_and_non_scanning_workspaces_throws_error() {
+ const auto scanWS = createSampleScanningWorkspace(2);
+ const auto nonScanWS = createSampleScanningWorkspace(1);
+
+ m_testee.setReferenceProperties(scanWS);
+ TS_ASSERT_EQUALS(m_testee.checkCompatibility(nonScanWS),
+ "a mix of workspaces with and without detector scans; ");
+ }
+
+ void
+ test_scanning_workspaces_with_different_numbers_of_detectors_throws_error() {
+ const auto scanWS1 = createSampleScanningWorkspace(2);
+ const auto scanWS2 = createSampleScanningWorkspace(2, 5);
+
+ m_testee.setReferenceProperties(scanWS1);
+ TS_ASSERT_EQUALS(m_testee.checkCompatibility(scanWS2),
+ "workspaces with detectors scans have different number of "
+ "detectors; ");
+ }
+
private:
void setUnits(MatrixWorkspace_sptr ws) {
ws->getAxis(0)->unit() = UnitFactory::Instance().create("TOF");
@@ -125,6 +157,12 @@ private:
ws->setYUnit("Counts");
}
+ MatrixWorkspace_sptr createSampleScanningWorkspace(int nTimeIndexes,
+ int nhist = 2) {
+ return create2DDetectorScanWorkspaceWithFullInstrument(
+ nhist, 3, nTimeIndexes, 0, 1, true, false, true, "test");
+ }
+
RunCombinationHelper m_testee;
MatrixWorkspace_sptr m_reference;
};
diff --git a/Framework/Algorithms/test/SpecularReflectionCalculateTheta2Test.h b/Framework/Algorithms/test/SpecularReflectionCalculateTheta2Test.h
new file mode 100644
index 0000000000000000000000000000000000000000..7aee9b124fbb1aeacb32f3f9f87c86d221271f40
--- /dev/null
+++ b/Framework/Algorithms/test/SpecularReflectionCalculateTheta2Test.h
@@ -0,0 +1,118 @@
+#ifndef MANTID_ALGORITHMS_SPECULARREFLECTIONCORRECTTHETA2TEST_H_
+#define MANTID_ALGORITHMS_SPECULARREFLECTIONCORRECTTHETA2TEST_H_
+
+#include <cxxtest/TestSuite.h>
+
+#include "SpecularReflectionAlgorithmTest.h"
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+
+#include "MantidAlgorithms/SpecularReflectionCalculateTheta2.h"
+
+using namespace Mantid::Algorithms;
+using namespace Mantid::API;
+
+// clang-format off
+class SpecularReflectionCalculateTheta2Test: public CxxTest::TestSuite,
+ public SpecularReflectionAlgorithmTest
+ // clang-format on
+ {
+
+private:
+ Mantid::API::IAlgorithm_sptr makeAlgorithm() const {
+ IAlgorithm_sptr alg =
+ boost::make_shared<SpecularReflectionCalculateTheta2>();
+ alg->setRethrows(true);
+ alg->setChild(true);
+ alg->initialize();
+ return alg;
+ }
+
+public:
+ // This pair of boilerplate methods prevent the suite being created statically
+ // This means the constructor isn't called when running other tests
+ static SpecularReflectionCalculateTheta2Test *createSuite() {
+ return new SpecularReflectionCalculateTheta2Test();
+ }
+ static void destroySuite(SpecularReflectionCalculateTheta2Test *suite) {
+ delete suite;
+ }
+
+ void test_Init() {
+ SpecularReflectionCalculateTheta2 alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize())
+ TS_ASSERT(alg.isInitialized())
+ }
+
+ SpecularReflectionCalculateTheta2Test() {}
+
+ void test_throws_if_SpectrumNumbersOfDetectors_less_than_zero() {
+ IAlgorithm_sptr alg = makeAlgorithm();
+ alg->setProperty(
+ "InputWorkspace",
+ WorkspaceCreationHelper::create1DWorkspaceConstant(1, 1, 1, true));
+
+ SpecularReflectionAlgorithmTest::
+ test_throws_if_SpectrumNumbersOfDetectors_less_than_zero(alg);
+ }
+
+ void test_throws_if_SpectrumNumbersOfDetectors_outside_range() {
+ IAlgorithm_sptr alg = makeAlgorithm();
+ alg->setProperty(
+ "InputWorkspace",
+ WorkspaceCreationHelper::create1DWorkspaceConstant(1, 1, 1, true));
+
+ SpecularReflectionAlgorithmTest::
+ test_throws_if_SpectrumNumbersOfDetectors_outside_range(alg);
+ }
+
+ void test_throws_if_DetectorComponentName_unknown() {
+ IAlgorithm_sptr alg = makeAlgorithm();
+ alg->setProperty(
+ "InputWorkspace",
+ WorkspaceCreationHelper::create2DWorkspaceWithRectangularInstrument(
+ 1, 1, 1));
+
+ SpecularReflectionAlgorithmTest::
+ test_throws_if_DetectorComponentName_unknown(alg);
+ }
+
+ void test_correct_point_detector_to_current_position() {
+ auto toConvert = pointDetectorWS;
+ auto referenceFrame = toConvert->getInstrument()->getReferenceFrame();
+ auto moveComponentAlg =
+ AlgorithmManager::Instance().create("MoveInstrumentComponent");
+ moveComponentAlg->initialize();
+ moveComponentAlg->setProperty("Workspace", toConvert);
+ const std::string componentName = "point-detector";
+ moveComponentAlg->setProperty("ComponentName", componentName);
+ moveComponentAlg->setProperty("RelativePosition", true);
+ moveComponentAlg->setProperty(
+ referenceFrame->pointingUpAxis(),
+ 0.5); // Give the point detector a starting vertical offset.
+ // Execute the movement.
+ moveComponentAlg->execute();
+
+ VerticalHorizontalOffsetType offsetTuple =
+ determine_vertical_and_horizontal_offsets(
+ toConvert); // Offsets before correction
+ const double sampleToDetectorVerticalOffset = offsetTuple.get<0>();
+ const double sampleToDetectorBeamOffset = offsetTuple.get<1>();
+
+ // Based on the current positions, calculate the current incident theta.
+ const double currentTwoThetaInRad =
+ std::atan(sampleToDetectorVerticalOffset / sampleToDetectorBeamOffset);
+ const double currentTwoThetaInDeg = currentTwoThetaInRad * (180.0 / M_PI);
+
+ IAlgorithm_sptr alg = this->makeAlgorithm();
+ alg->setProperty("InputWorkspace", toConvert);
+ alg->setProperty("DetectorComponentName", "point-detector");
+ alg->setProperty("AnalysisMode", "PointDetectorAnalysis");
+ alg->execute();
+ const double twoThetaCalculated = alg->getProperty("TwoTheta");
+
+ TSM_ASSERT_DELTA("Two theta value should be unchanged", twoThetaCalculated,
+ currentTwoThetaInDeg, 1e-6);
+ }
+};
+
+#endif /* MANTID_ALGORITHMS_SPECULARREFLECTIONCORRECTTHETA2TEST_H_ */
diff --git a/Framework/Beamline/inc/MantidBeamline/DetectorInfo.h b/Framework/Beamline/inc/MantidBeamline/DetectorInfo.h
index 954a3ed5017f0fda005ed07e33b855143fb8ac39..ea98ed3a73e38f9e53f18622eda671fa30266140 100644
--- a/Framework/Beamline/inc/MantidBeamline/DetectorInfo.h
+++ b/Framework/Beamline/inc/MantidBeamline/DetectorInfo.h
@@ -69,6 +69,7 @@ public:
bool isEquivalent(const DetectorInfo &other) const;
size_t size() const;
+ size_t scanSize() const;
bool isScanning() const;
bool isMonitor(const size_t index) const;
@@ -109,6 +110,10 @@ private:
void initScanIntervals();
void initIndices();
std::vector<bool> buildMergeIndices(const DetectorInfo &other) const;
+ std::vector<bool> buildMergeSyncScanIndices(const DetectorInfo &other) const;
+ void checkSizes(const DetectorInfo &other) const;
+ void checkIdenticalIntervals(const DetectorInfo &other, const size_t index1,
+ const size_t index2) const;
bool m_isSyncScan{true};
Kernel::cow_ptr<std::vector<bool>> m_isMonitor{nullptr};
diff --git a/Framework/Beamline/src/DetectorInfo.cpp b/Framework/Beamline/src/DetectorInfo.cpp
index f3ce7ccaa36937a4a5fd1043d1fc9ded9f86ace7..e43da35175367387c38dc28c34f2e03b83c7d5ff 100644
--- a/Framework/Beamline/src/DetectorInfo.cpp
+++ b/Framework/Beamline/src/DetectorInfo.cpp
@@ -91,6 +91,17 @@ bool DetectorInfo::isEquivalent(const DetectorInfo &other) const {
return true;
}
+/** Returns the number of sum of the scan intervals for every detector in the
+ *instrument.
+ *
+ * If a detector is moving, i.e., has more than one associated position, every
+ *position is counted. */
+size_t DetectorInfo::scanSize() const {
+ if (!m_positions)
+ return 0;
+ return m_positions->size();
+}
+
/// Returns true if the detector with given detector index is a monitor.
bool DetectorInfo::isMonitor(const size_t index) const {
// No check for time dependence since monitor flags are not time dependent.
@@ -232,25 +243,32 @@ getIndex(const Kernel::cow_ptr<std::vector<std::pair<size_t, size_t>>> &indices,
* index in `other` is identical to a corresponding interval in `this`, it is
* ignored, i.e., no time index is added. */
void DetectorInfo::merge(const DetectorInfo &other) {
- const auto &merge = buildMergeIndices(other);
if (!m_scanCounts)
initScanCounts();
if (m_isSyncScan) {
- auto &scanIntervals = m_scanIntervals.access();
- auto &isMasked = m_isMasked.access();
- auto &positions = m_positions.access();
- auto &rotations = m_rotations.access();
- m_scanCounts.access().front() += other.scanCount(0);
- scanIntervals.insert(scanIntervals.end(), other.m_scanIntervals->begin(),
- other.m_scanIntervals->end());
- isMasked.insert(isMasked.end(), other.m_isMasked->begin(),
- other.m_isMasked->end());
- positions.insert(positions.end(), other.m_positions->begin(),
- other.m_positions->end());
- rotations.insert(rotations.end(), other.m_rotations->begin(),
- other.m_rotations->end());
+ const auto &merge = buildMergeSyncScanIndices(other);
+ for (size_t timeIndex = 0; timeIndex < other.m_scanIntervals->size();
+ ++timeIndex) {
+ if (!merge[timeIndex])
+ continue;
+ auto &scanIntervals = m_scanIntervals.access();
+ auto &isMasked = m_isMasked.access();
+ auto &positions = m_positions.access();
+ auto &rotations = m_rotations.access();
+ m_scanCounts.access()[0]++;
+ scanIntervals.push_back((*other.m_scanIntervals)[timeIndex]);
+ const size_t indexStart = other.linearIndex({0, timeIndex});
+ size_t indexEnd = indexStart + size();
+ isMasked.insert(isMasked.end(), other.m_isMasked->begin() + indexStart,
+ other.m_isMasked->begin() + indexEnd);
+ positions.insert(positions.end(), other.m_positions->begin() + indexStart,
+ other.m_positions->begin() + indexEnd);
+ rotations.insert(rotations.end(), other.m_rotations->begin() + indexStart,
+ other.m_rotations->begin() + indexEnd);
+ }
return;
}
+ const auto &merge = buildMergeIndices(other);
if (!m_indexMap)
initIndices();
// Temporary to accumulate scan counts (need original for index offset).
@@ -335,31 +353,10 @@ void DetectorInfo::initIndices() {
}
}
+// Indices returned here are the list of linear indexes not to merge
std::vector<bool>
DetectorInfo::buildMergeIndices(const DetectorInfo &other) const {
- if (size() != other.size())
- failMerge("size mismatch");
- if (!m_scanIntervals || !other.m_scanIntervals)
- failMerge("scan intervals not defined");
- if (m_isSyncScan != other.m_isSyncScan)
- failMerge("both or none of the scans must be synchronous");
- if (!(m_isMonitor == other.m_isMonitor) &&
- (*m_isMonitor != *other.m_isMonitor))
- failMerge("monitor flags mismatch");
- // TODO If we make masking time-independent we need to check masking here.
-
- if (m_isSyncScan) {
- for (const auto &interval1 : *other.m_scanIntervals) {
- for (const auto &interval2 : *m_scanIntervals) {
- if (!((interval1.second <= interval2.first) ||
- (interval1.first >= interval2.second))) {
- failMerge("scan intervals overlap in sync scan");
- }
- }
- }
- return {};
- }
-
+ checkSizes(other);
std::vector<bool> merge(other.m_positions->size(), true);
for (size_t linearIndex1 = 0; linearIndex1 < other.m_positions->size();
@@ -370,13 +367,7 @@ DetectorInfo::buildMergeIndices(const DetectorInfo &other) const {
const auto linearIndex2 = linearIndex({detIndex, timeIndex});
const auto &interval2 = (*m_scanIntervals)[linearIndex2];
if (interval1 == interval2) {
- if ((*m_isMasked)[linearIndex2] != (*other.m_isMasked)[linearIndex1])
- failMerge("matching scan interval but mask flags differ");
- if ((*m_positions)[linearIndex2] != (*other.m_positions)[linearIndex1])
- failMerge("matching scan interval but positions differ");
- if ((*m_rotations)[linearIndex2].coeffs() !=
- (*other.m_rotations)[linearIndex1].coeffs())
- failMerge("matching scan interval but rotations differ");
+ checkIdenticalIntervals(other, linearIndex1, linearIndex2);
merge[linearIndex1] = false;
} else if ((interval1.first < interval2.second) &&
(interval1.second > interval2.first)) {
@@ -387,5 +378,56 @@ DetectorInfo::buildMergeIndices(const DetectorInfo &other) const {
return merge;
}
+// Indices returned here are the list of time indexes not to merge
+std::vector<bool>
+DetectorInfo::buildMergeSyncScanIndices(const DetectorInfo &other) const {
+ checkSizes(other);
+ std::vector<bool> merge(other.m_scanIntervals->size(), true);
+
+ for (size_t t1 = 0; t1 < other.m_scanIntervals->size(); ++t1) {
+ for (size_t t2 = 0; t2 < m_scanIntervals->size(); ++t2) {
+ const auto &interval1 = (*other.m_scanIntervals)[t1];
+ const auto &interval2 = (*m_scanIntervals)[t2];
+ if (interval1 == interval2) {
+ for (size_t detIndex = 0; detIndex < size(); ++detIndex) {
+ const size_t linearIndex1 = other.linearIndex({detIndex, t1});
+ const size_t linearIndex2 = linearIndex({detIndex, t2});
+ checkIdenticalIntervals(other, linearIndex1, linearIndex2);
+ }
+ merge[t1] = false;
+ } else if ((interval1.first < interval2.second) &&
+ (interval1.second > interval2.first)) {
+ failMerge("sync scan intervals overlap but not identical");
+ }
+ }
+ }
+ return merge;
+}
+
+void DetectorInfo::checkSizes(const DetectorInfo &other) const {
+ if (size() != other.size())
+ failMerge("size mismatch");
+ if (!m_scanIntervals || !other.m_scanIntervals)
+ failMerge("scan intervals not defined");
+ if (m_isSyncScan != other.m_isSyncScan)
+ failMerge("both or none of the scans must be synchronous");
+ if (!(m_isMonitor == other.m_isMonitor) &&
+ (*m_isMonitor != *other.m_isMonitor))
+ failMerge("monitor flags mismatch");
+ // TODO If we make masking time-independent we need to check masking here.
+}
+
+void DetectorInfo::checkIdenticalIntervals(const DetectorInfo &other,
+ const size_t linearIndexOther,
+ const size_t linearIndexThis) const {
+ if ((*m_isMasked)[linearIndexThis] != (*other.m_isMasked)[linearIndexOther])
+ failMerge("matching scan interval but mask flags differ");
+ if ((*m_positions)[linearIndexThis] != (*other.m_positions)[linearIndexOther])
+ failMerge("matching scan interval but positions differ");
+ if ((*m_rotations)[linearIndexThis].coeffs() !=
+ (*other.m_rotations)[linearIndexOther].coeffs())
+ failMerge("matching scan interval but rotations differ");
+}
+
} // namespace Beamline
} // namespace Mantid
diff --git a/Framework/Beamline/test/DetectorInfoTest.h b/Framework/Beamline/test/DetectorInfoTest.h
index fcb46c74164b9054c2924af3ee79b9ed948427c8..958a55c458f3fb937192e26f4365991cc9a03f1f 100644
--- a/Framework/Beamline/test/DetectorInfoTest.h
+++ b/Framework/Beamline/test/DetectorInfoTest.h
@@ -23,6 +23,7 @@ public:
std::unique_ptr<DetectorInfo> detInfo;
TS_ASSERT_THROWS_NOTHING(detInfo = Kernel::make_unique<DetectorInfo>());
TS_ASSERT_EQUALS(detInfo->size(), 0);
+ TS_ASSERT_EQUALS(detInfo->scanSize(), 0);
TS_ASSERT(!detInfo->isScanning());
TS_ASSERT(!detInfo->hasComponentInfo());
@@ -39,6 +40,7 @@ public:
TS_ASSERT_THROWS_NOTHING(
info = Kernel::make_unique<DetectorInfo>(PosVec(3), RotVec(3), mons));
TS_ASSERT_EQUALS(info->size(), 3);
+ TS_ASSERT_EQUALS(info->scanSize(), 3);
TS_ASSERT_THROWS_NOTHING(DetectorInfo(PosVec(3), RotVec(3), {}));
TS_ASSERT_THROWS_NOTHING(DetectorInfo(PosVec(3), RotVec(3), {0}));
TS_ASSERT_THROWS_NOTHING(DetectorInfo(PosVec(3), RotVec(3), {0, 1, 2}));
@@ -400,31 +402,36 @@ public:
"Cannot merge DetectorInfo: monitor flags mismatch");
}
+ void test_merge_identical_sync() {
+ DetectorInfo a(PosVec(2), RotVec(2));
+ a.setScanInterval({0, 10});
+ auto b(a);
+ TS_ASSERT_THROWS_NOTHING(b.merge(a));
+ }
+
void test_merge_fail_overlap_sync() {
DetectorInfo a(PosVec(2), RotVec(2));
a.setScanInterval({0, 10});
auto b(a);
- TS_ASSERT_THROWS_EQUALS(
- b.merge(a), const std::runtime_error &e, std::string(e.what()),
- "Cannot merge DetectorInfo: scan intervals overlap in sync scan");
b = a;
b.setScanInterval({-1, 5});
- TS_ASSERT_THROWS_EQUALS(
- b.merge(a), const std::runtime_error &e, std::string(e.what()),
- "Cannot merge DetectorInfo: scan intervals overlap in sync scan");
+ TS_ASSERT_THROWS_EQUALS(b.merge(a), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "sync scan intervals "
+ "overlap but not identical");
b.setScanInterval({1, 5});
- TS_ASSERT_THROWS_EQUALS(
- b.merge(a), const std::runtime_error &e, std::string(e.what()),
- "Cannot merge DetectorInfo: scan intervals overlap in sync scan");
+ TS_ASSERT_THROWS_EQUALS(b.merge(a), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "sync scan intervals "
+ "overlap but not identical");
b.setScanInterval({1, 11});
- TS_ASSERT_THROWS_EQUALS(
- b.merge(a), const std::runtime_error &e, std::string(e.what()),
- "Cannot merge DetectorInfo: scan intervals overlap in sync scan");
+ TS_ASSERT_THROWS_EQUALS(b.merge(a), const std::runtime_error &e,
+ std::string(e.what()), "Cannot merge DetectorInfo: "
+ "sync scan intervals "
+ "overlap but not identical");
}
- void test_merge_identical_interval_failures() {
- DetectorInfo a(PosVec(1), RotVec(1));
- a.setScanInterval(0, {0, 1});
+ void do_test_merge_identical_interval_failures(DetectorInfo &a) {
Eigen::Vector3d pos1(1, 0, 0);
Eigen::Vector3d pos2(2, 0, 0);
Eigen::Quaterniond rot1(
@@ -465,7 +472,19 @@ public:
TS_ASSERT_THROWS_NOTHING(b.merge(a));
}
- void test_merge_identical_interval() {
+ void test_merge_identical_interval_failures_async() {
+ DetectorInfo a(PosVec(1), RotVec(1));
+ a.setScanInterval(0, {0, 1});
+ do_test_merge_identical_interval_failures(a);
+ }
+
+ void test_merge_identical_interval_failures_sync() {
+ DetectorInfo a(PosVec(1), RotVec(1));
+ a.setScanInterval({0, 1});
+ do_test_merge_identical_interval_failures(a);
+ }
+
+ void test_merge_identical_interval_async() {
DetectorInfo a(PosVec(1), RotVec(1));
a.setScanInterval(0, {0, 1});
const auto b(a);
@@ -473,6 +492,13 @@ public:
TS_ASSERT(a.isEquivalent(b));
}
+ void test_merge_identical_interval_sync() {
+ DetectorInfo a(PosVec(2), RotVec(2));
+ a.setScanInterval({0, 10});
+ auto b(a);
+ TS_ASSERT_THROWS_NOTHING(b.merge(a));
+ }
+
void test_merge_identical_interval_with_monitor() {
DetectorInfo a(PosVec(2), RotVec(2), {1});
a.setScanInterval(0, {0, 1});
@@ -521,6 +547,7 @@ public:
TS_ASSERT(a.isScanning());
TS_ASSERT(!a.isEquivalent(b));
TS_ASSERT_EQUALS(a.size(), 2);
+ TS_ASSERT_EQUALS(a.scanSize(), 3);
TS_ASSERT_EQUALS(a.scanCount(0), 2);
// Note that the order is not guaranteed, currently these are just in the
// order in which the are merged.
@@ -547,6 +574,7 @@ public:
TS_ASSERT(a.isScanning());
TS_ASSERT(!a.isEquivalent(b));
TS_ASSERT_EQUALS(a.size(), 2);
+ TS_ASSERT_EQUALS(a.scanSize(), 4);
TS_ASSERT_EQUALS(a.scanCount(0), 2);
TS_ASSERT_EQUALS(a.scanCount(1), 2);
// Note that the order is not guaranteed, currently these are just in the
@@ -607,6 +635,7 @@ public:
TS_ASSERT(!a.isEquivalent(b));
TS_ASSERT(!a.isEquivalent(c));
TS_ASSERT_EQUALS(a.size(), 2);
+ TS_ASSERT_EQUALS(a.scanSize(), 4);
TS_ASSERT_EQUALS(a.scanCount(0), 3);
TS_ASSERT_EQUALS(a.scanInterval({0, 0}), interval1);
TS_ASSERT_EQUALS(a.scanInterval({0, 1}), interval2);
@@ -640,6 +669,7 @@ public:
TS_ASSERT(!a.isEquivalent(b));
TS_ASSERT(!a.isEquivalent(c));
TS_ASSERT_EQUALS(a.size(), 2);
+ TS_ASSERT_EQUALS(a.scanSize(), 6);
TS_ASSERT_EQUALS(a.scanCount(0), 3);
TS_ASSERT_EQUALS(a.scanCount(1), 3);
TS_ASSERT_EQUALS(a.scanInterval({0, 0}), interval1);
diff --git a/Framework/Crystal/inc/MantidCrystal/SCDCalibratePanels.h b/Framework/Crystal/inc/MantidCrystal/SCDCalibratePanels.h
index 5336e365f3ec5640343bbf948383d4771af3cd7d..b95ca3f7276d8abd1aef5e6038d497af6ef23b9c 100644
--- a/Framework/Crystal/inc/MantidCrystal/SCDCalibratePanels.h
+++ b/Framework/Crystal/inc/MantidCrystal/SCDCalibratePanels.h
@@ -69,6 +69,9 @@ private:
void saveNexus(std::string outputFile, API::MatrixWorkspace_sptr outputWS);
/// Function to optimize L1
void findL1(int nPeaks, DataObjects::PeaksWorkspace_sptr peaksWs);
+ /// Function to optimize L2
+ void findL2(boost::container::flat_set<std::string> MyBankNames,
+ DataObjects::PeaksWorkspace_sptr peaksWs);
/// Function to optimize T0
void findT0(int nPeaks, DataObjects::PeaksWorkspace_sptr peaksWs);
diff --git a/Framework/Crystal/src/IntegratePeaksUsingClusters.cpp b/Framework/Crystal/src/IntegratePeaksUsingClusters.cpp
index f4d7871fd9a347f4a11256982c2b801dc2279d6b..6bd9dc4fcf0cb3085ce1af3dfcc2235a5b841e74 100644
--- a/Framework/Crystal/src/IntegratePeaksUsingClusters.cpp
+++ b/Framework/Crystal/src/IntegratePeaksUsingClusters.cpp
@@ -65,10 +65,8 @@ void IntegratePeaksUsingClusters::init() {
"Threshold", 0, compositeValidator, Direction::Input),
"Threshold signal above which to consider peaks");
- std::vector<std::string> normalizations(3);
- normalizations[0] = "NoNormalization";
- normalizations[1] = "VolumeNormalization";
- normalizations[2] = "NumEventsNormalization";
+ std::array<std::string, 3> normalizations = {
+ {"NoNormalization", "VolumeNormalization", "NumEventsNormalization"}};
declareProperty("Normalization", normalizations[1],
Kernel::IValidator_sptr(
diff --git a/Framework/Crystal/src/PeakHKLErrors.cpp b/Framework/Crystal/src/PeakHKLErrors.cpp
index cccd488248ddfcb56420e10905411ddbcdb0bdee..08e2cac4993df840ad6fa7b85ff76bd66eaf5d8c 100644
--- a/Framework/Crystal/src/PeakHKLErrors.cpp
+++ b/Framework/Crystal/src/PeakHKLErrors.cpp
@@ -51,7 +51,7 @@ void PeakHKLErrors::init() {
declareParameter("GonRotz", 0.0,
"1st Rotation of Goniometer about the z axis");
initMode = 1;
- if (OptRuns == "")
+ if (OptRuns.empty())
return;
initMode = 2;
diff --git a/Framework/Crystal/src/SCDCalibratePanels.cpp b/Framework/Crystal/src/SCDCalibratePanels.cpp
index 5d3b94cdb2b7fc101d7820fae47bc095c62ec6a6..149ebac48023e489c0ac4b8c725c407284926f27 100644
--- a/Framework/Crystal/src/SCDCalibratePanels.cpp
+++ b/Framework/Crystal/src/SCDCalibratePanels.cpp
@@ -54,8 +54,8 @@ void SCDCalibratePanels::exec() {
peaksWs->sort(criteria);
// Remove peaks on edge
int edge = this->getProperty("EdgePixels");
+ Geometry::Instrument_const_sptr inst = peaksWs->getInstrument();
if (edge > 0) {
- Geometry::Instrument_const_sptr inst = peaksWs->getInstrument();
std::vector<Peak> &peaks = peaksWs->getPeaks();
auto it = std::remove_if(peaks.begin(), peaks.end(), [&peaksWs, edge, inst](
const Peak &pk) {
@@ -74,7 +74,8 @@ void SCDCalibratePanels::exec() {
int nPeaks = static_cast<int>(peaksWs->getNumberPeaks());
bool changeL1 = getProperty("ChangeL1");
bool changeT0 = getProperty("ChangeT0");
- bool changeSize = getProperty("ChangePanelSize");
+ bool bankPanels = getProperty("CalibrateBanks");
+ bool snapPanels = getProperty("CalibrateSNAPPanels");
if (changeT0)
findT0(nPeaks, peaksWs);
@@ -82,144 +83,61 @@ void SCDCalibratePanels::exec() {
findL1(nPeaks, peaksWs);
boost::container::flat_set<string> MyBankNames;
- for (int i = 0; i < nPeaks; ++i) {
- MyBankNames.insert(peaksWs->getPeak(i).getBankName());
- }
-
- std::vector<std::string> fit_workspaces(MyBankNames.size(), "fit_");
- std::vector<std::string> parameter_workspaces(MyBankNames.size(), "params_");
-
- PARALLEL_FOR_IF(Kernel::threadSafe(*peaksWs))
- for (int i = 0; i < static_cast<int>(MyBankNames.size()); ++i) {
- PARALLEL_START_INTERUPT_REGION
- const std::string &iBank = *std::next(MyBankNames.begin(), i);
- const std::string bankName = "__PWS_" + iBank;
- PeaksWorkspace_sptr local = peaksWs->clone();
- AnalysisDataService::Instance().addOrReplace(bankName, local);
- std::vector<Peak> &localPeaks = local->getPeaks();
- auto lit = std::remove_if(
- localPeaks.begin(), localPeaks.end(),
- [&iBank](const Peak &pk) { return pk.getBankName() != iBank; });
- localPeaks.erase(lit, localPeaks.end());
-
- int nBankPeaks = local->getNumberPeaks();
- if (nBankPeaks < 6) {
- g_log.notice() << "Too few peaks for " << iBank << "\n";
- continue;
+ boost::container::flat_set<string> MyPanels;
+ if (snapPanels) {
+ MyPanels.insert("East");
+ MyPanels.insert("West");
+ for (int i = 1; i < 19; ++i)
+ MyBankNames.insert("bank" + boost::lexical_cast<std::string>(i));
+ } else {
+ for (int i = 0; i < nPeaks; ++i) {
+ std::string name = peaksWs->getPeak(i).getBankName();
+ if (name != "None")
+ MyBankNames.insert(name);
}
+ }
- MatrixWorkspace_sptr q3DWS = boost::dynamic_pointer_cast<MatrixWorkspace>(
- API::WorkspaceFactory::Instance().create(
- "Workspace2D", 1, 3 * nBankPeaks, 3 * nBankPeaks));
-
- auto &outSpec = q3DWS->getSpectrum(0);
- auto &yVec = outSpec.mutableY();
- auto &eVec = outSpec.mutableE();
- auto &xVec = outSpec.mutableX();
- yVec = 0.0;
-
- for (int i = 0; i < nBankPeaks; i++) {
- const DataObjects::Peak &peak = local->getPeak(i);
- // 1/sigma is considered the weight for the fit
- double weight = 1.; // default is even weighting
- if (peak.getSigmaIntensity() > 0.) // prefer weight by sigmaI
- weight = 1.0 / peak.getSigmaIntensity();
- else if (peak.getIntensity() > 0.) // next favorite weight by I
- weight = 1.0 / peak.getIntensity();
- else if (peak.getBinCount() > 0.) // then by counts in peak centre
- weight = 1.0 / peak.getBinCount();
- for (int j = 0; j < 3; j++) {
- int k = i * 3 + j;
- xVec[k] = k;
- eVec[k] = weight;
- }
- }
+ std::vector<std::string> fit_workspaces(MyBankNames.size() + MyPanels.size(),
+ "fit_");
+ std::vector<std::string> parameter_workspaces(
+ MyBankNames.size() + MyPanels.size(), "params_");
+ int i = 0;
+ for (auto iBank = MyPanels.begin(); iBank != MyPanels.end(); ++iBank) {
+ fit_workspaces[i] += *iBank;
+ parameter_workspaces[i] += *iBank;
+ i++;
+ }
+ if (snapPanels) {
+ findL2(MyPanels, peaksWs);
+ ITableWorkspace_sptr results =
+ AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
+ "params_West");
+ double delta = results->cell<double>(4, 1);
+ g_log.notice() << "For west rotation change det_arc1 " << delta
+ << " degrees\n";
+ results = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
+ "params_East");
+ delta = results->cell<double>(4, 1);
+ g_log.notice() << "For east rotation change det_arc2 " << delta
+ << " degrees\n";
+ }
- IAlgorithm_sptr fit_alg;
- try {
- fit_alg = createChildAlgorithm("Fit", -1, -1, false);
- } catch (Exception::NotFoundError &) {
- g_log.error("Can't locate Fit algorithm");
- throw;
- }
- std::ostringstream fun_str;
- fun_str << "name=SCDPanelErrors,Workspace=" + bankName << ",Bank=" << iBank;
- fit_alg->setPropertyValue("Function", fun_str.str());
- std::ostringstream tie_str;
- tie_str << "ScaleWidth=1.0,ScaleHeight=1.0,T0Shift =" << mT0;
- fit_alg->setProperty("Ties", tie_str.str());
- fit_alg->setProperty("InputWorkspace", q3DWS);
- fit_alg->setProperty("CreateOutput", true);
- fit_alg->setProperty("Output", "fit");
- fit_alg->executeAsChildAlg();
- std::string fitStatus = fit_alg->getProperty("OutputStatus");
- double chisq = fit_alg->getProperty("OutputChi2overDoF");
- g_log.notice() << iBank << " " << fitStatus << " Chi2overDoF " << chisq
- << "\n";
- MatrixWorkspace_sptr fitWS = fit_alg->getProperty("OutputWorkspace");
- AnalysisDataService::Instance().addOrReplace("fit_" + iBank, fitWS);
- ITableWorkspace_sptr paramsWS = fit_alg->getProperty("OutputParameters");
- AnalysisDataService::Instance().addOrReplace("params_" + iBank, paramsWS);
- double xShift = paramsWS->getRef<double>("Value", 0);
- double yShift = paramsWS->getRef<double>("Value", 1);
- double zShift = paramsWS->getRef<double>("Value", 2);
- double xRotate = paramsWS->getRef<double>("Value", 3);
- double yRotate = paramsWS->getRef<double>("Value", 4);
- double zRotate = paramsWS->getRef<double>("Value", 5);
- double scaleWidth = 1.0;
- double scaleHeight = 1.0;
- // Scaling only implemented for Rectangular Detectors
- Geometry::IComponent_const_sptr comp =
- peaksWs->getInstrument()->getComponentByName(iBank);
- boost::shared_ptr<const Geometry::RectangularDetector> rectDet =
- boost::dynamic_pointer_cast<const Geometry::RectangularDetector>(comp);
- if (rectDet && changeSize) {
- IAlgorithm_sptr fit2_alg;
- try {
- fit2_alg = createChildAlgorithm("Fit", -1, -1, false);
- } catch (Exception::NotFoundError &) {
- g_log.error("Can't locate Fit algorithm");
- throw;
- }
- fit2_alg->setPropertyValue("Function", fun_str.str());
- std::ostringstream tie_str2;
- tie_str2 << "XShift=" << xShift << ",YShift=" << yShift
- << ",ZShift=" << zShift << ",XRotate=" << xRotate
- << ",YRotate=" << yRotate << ",ZRotate=" << zRotate
- << ",T0Shift =" << mT0;
- fit2_alg->setProperty("Ties", tie_str2.str());
- fit2_alg->setProperty("InputWorkspace", q3DWS);
- fit2_alg->setProperty("CreateOutput", true);
- fit2_alg->setProperty("Output", "fit");
- fit2_alg->executeAsChildAlg();
- std::string fitStatus = fit2_alg->getProperty("OutputStatus");
- double chisq = fit2_alg->getProperty("OutputChi2overDoF");
- g_log.notice() << iBank << " " << fitStatus << " Chi2overDoF " << chisq
- << "\n";
- fitWS = fit2_alg->getProperty("OutputWorkspace");
- AnalysisDataService::Instance().addOrReplace("fit_" + iBank, fitWS);
- paramsWS = fit2_alg->getProperty("OutputParameters");
- AnalysisDataService::Instance().addOrReplace("params_" + iBank, paramsWS);
- scaleWidth = paramsWS->getRef<double>("Value", 6);
- scaleHeight = paramsWS->getRef<double>("Value", 7);
- }
- AnalysisDataService::Instance().remove(bankName);
- SCDPanelErrors det;
- det.moveDetector(xShift, yShift, zShift, xRotate, yRotate, zRotate,
- scaleWidth, scaleHeight, iBank, peaksWs);
- parameter_workspaces[i] += iBank;
- fit_workspaces[i] += iBank;
- PARALLEL_END_INTERUPT_REGION
+ for (auto iBank = MyBankNames.begin(); iBank != MyBankNames.end(); ++iBank) {
+ fit_workspaces[i] += *iBank;
+ parameter_workspaces[i] += *iBank;
+ i++;
+ }
+ if (bankPanels) {
+ findL2(MyBankNames, peaksWs);
}
- PARALLEL_CHECK_INTERUPT_REGION
// remove skipped banks
- fit_workspaces.erase(
- std::remove(fit_workspaces.begin(), fit_workspaces.end(), "fit_"),
- fit_workspaces.end());
- parameter_workspaces.erase(std::remove(parameter_workspaces.begin(),
- parameter_workspaces.end(), "params_"),
- parameter_workspaces.end());
+ for (int j = i - 1; j >= 0; j--) {
+ if (!AnalysisDataService::Instance().doesExist(fit_workspaces[j]))
+ fit_workspaces.erase(fit_workspaces.begin() + j);
+ if (!AnalysisDataService::Instance().doesExist(parameter_workspaces[j]))
+ parameter_workspaces.erase(parameter_workspaces.begin() + j);
+ }
// Try again to optimize L1
if (changeL1) {
@@ -250,7 +168,7 @@ void SCDCalibratePanels::exec() {
groupAlg->execute();
// Use new instrument for PeaksWorkspace
- Geometry::Instrument_sptr inst =
+ Geometry::Instrument_sptr inst2 =
boost::const_pointer_cast<Geometry::Instrument>(peaksWs->getInstrument());
Geometry::OrientedLattice lattice0 =
peaksWs->mutableSample().getOrientedLattice();
@@ -263,7 +181,7 @@ void SCDCalibratePanels::exec() {
boost::math::iround(peak.getL()));
V3D Q2 = lattice0.qFromHKL(hkl);
try {
- peak.setInstrument(inst);
+ peak.setInstrument(inst2);
peak.setQSampleFrame(Q2);
peak.setHKL(hkl);
} catch (const std::exception &exc) {
@@ -283,24 +201,24 @@ void SCDCalibratePanels::exec() {
if (run.hasProperty("T0")) {
mT0 = run.getPropertyValueAsType<double>("T0");
}
- saveIsawDetCal(inst, MyBankNames, mT0, DetCalFileName);
+ saveIsawDetCal(inst2, MyBankNames, mT0, DetCalFileName);
string XmlFileName = getProperty("XmlFilename");
- saveXmlFile(XmlFileName, MyBankNames, *inst);
+ saveXmlFile(XmlFileName, MyBankNames, *inst2);
// create table of theoretical vs calculated
//----------------- Calculate & Create Calculated vs Theoretical
// workspaces------------------,);
MatrixWorkspace_sptr ColWksp =
Mantid::API::WorkspaceFactory::Instance().create(
"Workspace2D", MyBankNames.size(), nPeaks, nPeaks);
- ColWksp->setInstrument(inst);
+ ColWksp->setInstrument(inst2);
MatrixWorkspace_sptr RowWksp =
Mantid::API::WorkspaceFactory::Instance().create(
"Workspace2D", MyBankNames.size(), nPeaks, nPeaks);
- RowWksp->setInstrument(inst);
+ RowWksp->setInstrument(inst2);
MatrixWorkspace_sptr TofWksp =
Mantid::API::WorkspaceFactory::Instance().create(
"Workspace2D", MyBankNames.size(), nPeaks, nPeaks);
- TofWksp->setInstrument(inst);
+ TofWksp->setInstrument(inst2);
OrientedLattice lattice = peaksWs->mutableSample().getOrientedLattice();
const DblMatrix &UB = lattice.getUB();
// sort again since edge peaks can trace to other banks
@@ -579,6 +497,10 @@ void SCDCalibratePanels::init() {
declareProperty("EdgePixels", 0,
"Remove peaks that are at pixels this close to edge. ");
+ declareProperty("CalibrateBanks", true, "Calibrate the panels of the banks.");
+ declareProperty("CalibrateSNAPPanels", false,
+ "Calibrate the 3 X 3 panels of the "
+ "sides of SNAP.");
// ---------- outputs
const std::vector<std::string> detcalExts{".DetCal", ".Det_Cal"};
@@ -703,6 +625,146 @@ void SCDCalibratePanels::saveXmlFile(
oss3.flush();
oss3.close();
}
+void SCDCalibratePanels::findL2(boost::container::flat_set<string> MyBankNames,
+ DataObjects::PeaksWorkspace_sptr peaksWs) {
+ bool changeSize = getProperty("ChangePanelSize");
+ Geometry::Instrument_const_sptr inst = peaksWs->getInstrument();
+
+ PARALLEL_FOR_IF(Kernel::threadSafe(*peaksWs))
+ for (int i = 0; i < static_cast<int>(MyBankNames.size()); ++i) {
+ PARALLEL_START_INTERUPT_REGION
+ const std::string &iBank = *std::next(MyBankNames.begin(), i);
+ const std::string bankName = "__PWS_" + iBank;
+ PeaksWorkspace_sptr local = peaksWs->clone();
+ AnalysisDataService::Instance().addOrReplace(bankName, local);
+ std::vector<Peak> &localPeaks = local->getPeaks();
+ auto lit = std::remove_if(
+ localPeaks.begin(), localPeaks.end(), [&iBank](const Peak &pk) {
+ std::string name = pk.getBankName();
+ IComponent_const_sptr det =
+ pk.getInstrument()->getComponentByName(name);
+ if (det && iBank.substr(0, 4) != "bank") {
+ IComponent_const_sptr parent = det->getParent();
+ if (parent) {
+ IComponent_const_sptr grandparent = parent->getParent();
+ if (grandparent) {
+ name = grandparent->getName();
+ }
+ }
+ }
+
+ return name != iBank;
+ });
+ localPeaks.erase(lit, localPeaks.end());
+
+ int nBankPeaks = local->getNumberPeaks();
+ if (nBankPeaks < 6) {
+ g_log.notice() << "Too few peaks for " << iBank << "\n";
+ continue;
+ }
+
+ MatrixWorkspace_sptr q3DWS = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ API::WorkspaceFactory::Instance().create(
+ "Workspace2D", 1, 3 * nBankPeaks, 3 * nBankPeaks));
+
+ auto &outSpec = q3DWS->getSpectrum(0);
+ auto &yVec = outSpec.mutableY();
+ auto &eVec = outSpec.mutableE();
+ auto &xVec = outSpec.mutableX();
+ yVec = 0.0;
+
+ for (int i = 0; i < nBankPeaks; i++) {
+ const DataObjects::Peak &peak = local->getPeak(i);
+ // 1/sigma is considered the weight for the fit
+ double weight = 1.; // default is even weighting
+ if (peak.getSigmaIntensity() > 0.) // prefer weight by sigmaI
+ weight = 1.0 / peak.getSigmaIntensity();
+ else if (peak.getIntensity() > 0.) // next favorite weight by I
+ weight = 1.0 / peak.getIntensity();
+ else if (peak.getBinCount() > 0.) // then by counts in peak centre
+ weight = 1.0 / peak.getBinCount();
+ for (int j = 0; j < 3; j++) {
+ int k = i * 3 + j;
+ xVec[k] = k;
+ eVec[k] = weight;
+ }
+ }
+ IAlgorithm_sptr fit_alg;
+ try {
+ fit_alg = createChildAlgorithm("Fit", -1, -1, false);
+ } catch (Exception::NotFoundError &) {
+ g_log.error("Can't locate Fit algorithm");
+ throw;
+ }
+ std::ostringstream fun_str;
+ fun_str << "name=SCDPanelErrors,Workspace=" + bankName << ",Bank=" << iBank;
+ fit_alg->setPropertyValue("Function", fun_str.str());
+ std::ostringstream tie_str;
+ tie_str << "ScaleWidth=1.0,ScaleHeight=1.0,T0Shift =" << mT0;
+ fit_alg->setProperty("Ties", tie_str.str());
+ fit_alg->setProperty("InputWorkspace", q3DWS);
+ fit_alg->setProperty("CreateOutput", true);
+ fit_alg->setProperty("Output", "fit");
+ fit_alg->executeAsChildAlg();
+ std::string fitStatus = fit_alg->getProperty("OutputStatus");
+ double chisq = fit_alg->getProperty("OutputChi2overDoF");
+ g_log.notice() << iBank << " " << fitStatus << " Chi2overDoF " << chisq
+ << "\n";
+ MatrixWorkspace_sptr fitWS = fit_alg->getProperty("OutputWorkspace");
+ AnalysisDataService::Instance().addOrReplace("fit_" + iBank, fitWS);
+ ITableWorkspace_sptr paramsWS = fit_alg->getProperty("OutputParameters");
+ AnalysisDataService::Instance().addOrReplace("params_" + iBank, paramsWS);
+ double xShift = paramsWS->getRef<double>("Value", 0);
+ double yShift = paramsWS->getRef<double>("Value", 1);
+ double zShift = paramsWS->getRef<double>("Value", 2);
+ double xRotate = paramsWS->getRef<double>("Value", 3);
+ double yRotate = paramsWS->getRef<double>("Value", 4);
+ double zRotate = paramsWS->getRef<double>("Value", 5);
+ double scaleWidth = 1.0;
+ double scaleHeight = 1.0;
+ // Scaling only implemented for Rectangular Detectors
+ Geometry::IComponent_const_sptr comp =
+ peaksWs->getInstrument()->getComponentByName(iBank);
+ boost::shared_ptr<const Geometry::RectangularDetector> rectDet =
+ boost::dynamic_pointer_cast<const Geometry::RectangularDetector>(comp);
+ if (rectDet && changeSize) {
+ IAlgorithm_sptr fit2_alg;
+ try {
+ fit2_alg = createChildAlgorithm("Fit", -1, -1, false);
+ } catch (Exception::NotFoundError &) {
+ g_log.error("Can't locate Fit algorithm");
+ throw;
+ }
+ fit2_alg->setPropertyValue("Function", fun_str.str());
+ std::ostringstream tie_str2;
+ tie_str2 << "XShift=" << xShift << ",YShift=" << yShift
+ << ",ZShift=" << zShift << ",XRotate=" << xRotate
+ << ",YRotate=" << yRotate << ",ZRotate=" << zRotate
+ << ",T0Shift =" << mT0;
+ fit2_alg->setProperty("Ties", tie_str2.str());
+ fit2_alg->setProperty("InputWorkspace", q3DWS);
+ fit2_alg->setProperty("CreateOutput", true);
+ fit2_alg->setProperty("Output", "fit");
+ fit2_alg->executeAsChildAlg();
+ std::string fitStatus = fit2_alg->getProperty("OutputStatus");
+ double chisq = fit2_alg->getProperty("OutputChi2overDoF");
+ g_log.notice() << iBank << " " << fitStatus << " Chi2overDoF " << chisq
+ << "\n";
+ fitWS = fit2_alg->getProperty("OutputWorkspace");
+ AnalysisDataService::Instance().addOrReplace("fit_" + iBank, fitWS);
+ paramsWS = fit2_alg->getProperty("OutputParameters");
+ AnalysisDataService::Instance().addOrReplace("params_" + iBank, paramsWS);
+ scaleWidth = paramsWS->getRef<double>("Value", 6);
+ scaleHeight = paramsWS->getRef<double>("Value", 7);
+ }
+ AnalysisDataService::Instance().remove(bankName);
+ SCDPanelErrors det;
+ det.moveDetector(xShift, yShift, zShift, xRotate, yRotate, zRotate,
+ scaleWidth, scaleHeight, iBank, peaksWs);
+ PARALLEL_END_INTERUPT_REGION
+ }
+ PARALLEL_CHECK_INTERUPT_REGION
+}
} // namespace Crystal
} // namespace Mantid
diff --git a/Framework/Crystal/src/SCDPanelErrors.cpp b/Framework/Crystal/src/SCDPanelErrors.cpp
index 07fd84a64f618a8b3b05eee9563c8f9cdc1497eb..d6da4f78916bdb4fe7d7a27fe6d3987c7f521a27 100644
--- a/Framework/Crystal/src/SCDPanelErrors.cpp
+++ b/Framework/Crystal/src/SCDPanelErrors.cpp
@@ -263,7 +263,7 @@ void SCDPanelErrors::setAttribute(const std::string &attName,
}
FileValidator fval;
std::string error = fval.isValid(fileName);
- if (error == "") {
+ if (error.empty()) {
storeAttributeValue(attName, Attribute(fileName, true));
storeAttributeValue("Workspace", Attribute(""));
} else {
diff --git a/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp b/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
index 390821af3be5437760ca7a6fd877039181b7760f..1db18580faec19def2ff5663f27bf94881c73300 100644
--- a/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
+++ b/Framework/CurveFitting/src/Algorithms/ConvertToYSpace.cpp
@@ -289,7 +289,7 @@ void ConvertToYSpace::createOutputWorkspace() {
m_outputWS->setYUnitLabel("");
// q-Space output workspace
- if (getPropertyValue("QWorkspace") != "") {
+ if (!getPropertyValue("QWorkspace").empty()) {
m_qOutputWS = WorkspaceFactory::Instance().create(m_inputWS);
m_qOutputWS->getAxis(0)->unit() = xLabel;
diff --git a/Framework/CurveFitting/src/Algorithms/Fit.cpp b/Framework/CurveFitting/src/Algorithms/Fit.cpp
index a0d584825b5fc0c7eeeee2d8605d4888f4b7652a..95f0f78800031337e3134444e8b879338c782122 100644
--- a/Framework/CurveFitting/src/Algorithms/Fit.cpp
+++ b/Framework/CurveFitting/src/Algorithms/Fit.cpp
@@ -138,7 +138,7 @@ void Fit::copyMinimizerOutput(const API::IFuncMinimizer &minimizer) {
auto &properties = minimizer.getProperties();
for (auto property : properties) {
if ((*property).direction() == Kernel::Direction::Output &&
- (*property).isValid() == "") {
+ (*property).isValid().empty()) {
auto clonedProperty =
std::unique_ptr<Kernel::Property>((*property).clone());
declareProperty(std::move(clonedProperty));
diff --git a/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
index 97d725beb899d6fe4466f15e30a17dd4bf51e52d..7bfa2e7ea945789adcdf2e91175ec53605e994a8 100644
--- a/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
+++ b/Framework/CurveFitting/src/Algorithms/PlotPeakByLogValue.cpp
@@ -137,7 +137,7 @@ void PlotPeakByLogValue::init() {
"Convolution are output convolved\n"
"with corresponding resolution");
- std::vector<std::string> evaluationTypes{"CentrePoint", "Histogram"};
+ std::array<std::string, 2> evaluationTypes = {{"CentrePoint", "Histogram"}};
declareProperty(
"EvaluationType", "CentrePoint",
Kernel::IValidator_sptr(
@@ -646,7 +646,7 @@ std::string PlotPeakByLogValue::getMinimizerString(const std::string &wsName,
dynamic_cast<Mantid::API::WorkspaceProperty<> *>(minimizerProp);
if (wsProp) {
const std::string &wsPropValue = minimizerProp->value();
- if (wsPropValue != "") {
+ if (!wsPropValue.empty()) {
const std::string &wsPropName = minimizerProp->name();
m_minimizerWorkspaces[wsPropName].push_back(wsPropValue);
}
diff --git a/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp b/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
index 9cd6f62a1920daf4dab915a1b389015631baa581..1978323b913878a7139faac8ff1427371338052f 100644
--- a/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
+++ b/Framework/CurveFitting/src/Algorithms/SplineInterpolation.cpp
@@ -223,7 +223,7 @@ void SplineInterpolation::exec() {
}
// Store the output workspaces
std::string derivWsName = getPropertyValue("OutputWorkspaceDeriv");
- if (order > 0 && derivWsName != "") {
+ if (order > 0 && !derivWsName.empty()) {
// Store derivatives in a grouped workspace
WorkspaceGroup_sptr wsg = WorkspaceGroup_sptr(new WorkspaceGroup);
for (size_t i = 0; i < histNo; ++i) {
diff --git a/Framework/CurveFitting/src/Functions/CrystalFieldMultiSpectrum.cpp b/Framework/CurveFitting/src/Functions/CrystalFieldMultiSpectrum.cpp
index 7dec77fd50fe295284bc82eff16b8b33c8432078..a9180754a94ca66c49570cd777d6c7431cab2b73 100644
--- a/Framework/CurveFitting/src/Functions/CrystalFieldMultiSpectrum.cpp
+++ b/Framework/CurveFitting/src/Functions/CrystalFieldMultiSpectrum.cpp
@@ -266,7 +266,7 @@ void CrystalFieldMultiSpectrum::calcExcitations(
// using an index instead of a name for performance reasons
auto &source = dynamic_cast<Peaks &>(*m_source);
double intensityScaling;
- if (source.m_IntensityScalingIdx.size() == 0) {
+ if (source.m_IntensityScalingIdx.empty()) {
intensityScaling = getParameter(m_nOwnParams - nSpec + iSpec);
} else {
intensityScaling = getParameter(source.m_IntensityScalingIdx[iSpec]);
diff --git a/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp b/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
index a10ed3ab8ab1cd167fe5c6b144c5081ca3fe39e7..a9fe5275204464c18984f565e77659b684cba22e 100644
--- a/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
+++ b/Framework/CurveFitting/src/Functions/TabulatedFunction.cpp
@@ -174,7 +174,7 @@ void TabulatedFunction::setAttribute(const std::string &attName,
}
FileValidator fval;
std::string error = fval.isValid(fileName);
- if (error == "") {
+ if (error.empty()) {
storeAttributeValue(attName, Attribute(fileName, true));
storeAttributeValue("Workspace", Attribute(""));
} else {
diff --git a/Framework/CurveFitting/src/IFittingAlgorithm.cpp b/Framework/CurveFitting/src/IFittingAlgorithm.cpp
index c228967f6ff1402b4bb75d0fa7d7aedae21eb9ca..c9dcda321339895e845575311b5ed7de9d35ea71 100644
--- a/Framework/CurveFitting/src/IFittingAlgorithm.cpp
+++ b/Framework/CurveFitting/src/IFittingAlgorithm.cpp
@@ -76,7 +76,8 @@ void IFittingAlgorithm::init() {
declareProperty("IgnoreInvalidData", false,
"Flag to ignore infinities, NaNs and data with zero errors.");
- std::vector<std::string> domainTypes{"Simple", "Sequential", "Parallel"};
+ std::array<std::string, 3> domainTypes = {
+ {"Simple", "Sequential", "Parallel"}};
declareProperty(
"DomainType", "Simple",
Kernel::IValidator_sptr(
@@ -84,7 +85,7 @@ void IFittingAlgorithm::init() {
"The type of function domain to use: Simple, Sequential, or Parallel.",
Kernel::Direction::Input);
- std::vector<std::string> evaluationTypes{"CentrePoint", "Histogram"};
+ std::array<std::string, 2> evaluationTypes = {{"CentrePoint", "Histogram"}};
declareProperty("EvaluationType", "CentrePoint",
Kernel::IValidator_sptr(
new Kernel::ListValidator<std::string>(evaluationTypes)),
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadILLReflectometry.h b/Framework/DataHandling/inc/MantidDataHandling/LoadILLReflectometry.h
index 171ab7c54fec07535476d18a878bb68ac90dbe23..59fdea8350e5f8e3d286a4fdafeabdbffd3f1ee8 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadILLReflectometry.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadILLReflectometry.h
@@ -1,20 +1,16 @@
#ifndef MANTID_DATAHANDLING_LOADILLREFLECTOMETRY_H_
#define MANTID_DATAHANDLING_LOADILLREFLECTOMETRY_H_
-#include "MantidKernel/System.h"
-#include "MantidAPI/Algorithm.h"
-
#include "MantidAPI/IFileLoader.h"
-#include "MantidNexus/NexusClasses.h"
#include "MantidDataHandling/LoadHelper.h"
namespace Mantid {
namespace DataHandling {
-/** LoadILLReflectometry : Loads a ILL Reflectometry data file.
+/*! LoadILLReflectometry : Loads an ILL reflectometry Nexus data file.
- Copyright © 2014 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
- National Laboratory & European Spallation Source
+ Copyright © 2014-2017 ISIS Rutherford Appleton Laboratory, NScD Oak
+ Ridge National Laboratory & European Spallation Source
This file is part of Mantid.
@@ -37,51 +33,72 @@ namespace DataHandling {
class DLLExport LoadILLReflectometry
: public API::IFileLoader<Kernel::NexusDescriptor> {
public:
- LoadILLReflectometry();
+ LoadILLReflectometry() = default;
/// Returns a confidence value that this algorithm can load a file
int confidence(Kernel::NexusDescriptor &descriptor) const override;
-
- const std::string name() const override;
- int version() const override;
- const std::string category() const override;
-
+ /// Algorithm's name for identification. @see Algorithm::name
+ const std::string name() const override { return "LoadILLReflectometry"; }
+ /// Algorithm's version for identification. @see Algorithm::version
+ int version() const override { return 1; }
+ /// Algorithm's category for search and find. @see Algorithm::category
+ const std::string category() const override { return "DataHandling\\Nexus"; }
+ /// Algorithm's summary. @see Algorithm::summary
const std::string summary() const override {
- return "Loads a ILL/D17 nexus file.";
+ return "Loads an ILL reflectometry Nexus file (instrument D17 or "
+ "Figaro).";
}
+ /// Cross-check properties with each other @see IAlgorithm::validateInputs
+ std::map<std::string, std::string> validateInputs() override;
private:
void init() override;
void exec() override;
- void initWorkSpace(NeXus::NXEntry &entry,
- std::vector<std::vector<int>> monitorsData);
- void setInstrumentName(const NeXus::NXEntry &firstEntry,
- const std::string &instrumentNamePath);
+ void initWorkspace(const std::vector<std::vector<int>> &monitorsData);
+ void initNames(NeXus::NXEntry &entry);
void loadDataDetails(NeXus::NXEntry &entry);
- void loadDataIntoTheWorkSpace(NeXus::NXEntry &entry,
- std::vector<std::vector<int>> monitorsData);
- void loadNexusEntriesIntoProperties(std::string nexusfilename);
+ double doubleFromRun(const std::string &entryName) const;
+ std::vector<double> getXValues();
+ void convertTofToWavelength();
+ std::pair<double, double> fitReflectometryPeak();
+ void loadData(NeXus::NXEntry &entry,
+ const std::vector<std::vector<int>> &monitorsData,
+ const std::vector<double> &xVals);
+ void loadNexusEntriesIntoProperties();
+ std::vector<int> loadSingleMonitor(NeXus::NXEntry &entry,
+ const std::string &monitor_data);
std::vector<std::vector<int>> loadMonitors(NeXus::NXEntry &entry);
- void runLoadInstrument();
- void centerDetector(double);
- void placeDetector(double, double);
-
+ void loadInstrument();
+ double computeBraggAngle();
+ void placeDetector();
+ void placeSource();
+
+ double detectorAngle(const double peakPosition,
+ const double detectorDistance) const;
+ double sampleDetectorDistance() const;
+ double sourceSampleDistance() const;
API::MatrixWorkspace_sptr m_localWorkspace;
- std::string m_instrumentName; ///< Name of the instrument
-
- size_t m_numberOfTubes; // number of tubes - X
- size_t m_numberOfPixelsPerTube; // number of pixels per tube - Y
- size_t m_numberOfChannels; // time channels - Z
-
- size_t m_numberOfHistograms;
-
/* Values parsed from the nexus file */
- double m_wavelength;
- double m_channelWidth;
-
- std::vector<std::string> m_supportedInstruments;
- LoadHelper m_loader;
+ std::string m_instrumentName; ///< Name of the instrument
+ size_t m_acqMode{1}; ///< Acquisition mode (1 TOF (default), 0 monochromatic)
+ size_t m_numberOfChannels{0};
+ double m_tofDelay{0.0};
+ // number of tubes (always 1) times number of pixels per tube
+ size_t m_numberOfHistograms{0};
+ double m_channelWidth{0.0};
+ std::string m_detectorDistance;
+ std::string m_detectorAngleName;
+ std::string m_sampleAngleName;
+ std::string m_offsetName;
+ std::string m_offsetFrom;
+ std::string m_chopper1Name;
+ std::string m_chopper2Name;
+ double m_detectorDistanceDirectBeam{0.0}; ///< Sample detector distance
+ double m_detectorDistanceValue{0.0};
+ double m_pixelCentre{0.0};
+ double m_pixelWidth{0.0};
+ Mantid::DataHandling::LoadHelper m_loader;
};
} // namespace DataHandling
diff --git a/Framework/DataHandling/inc/MantidDataHandling/SaveFITS.h b/Framework/DataHandling/inc/MantidDataHandling/SaveFITS.h
index 62ed6247f0f053abcb8cac77754dc30ea1eeaaae..ea59057a006e18e0981123edeeebf203d031115c 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/SaveFITS.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/SaveFITS.h
@@ -68,7 +68,7 @@ private:
void writePaddingFITSHeaders(size_t count, std::ofstream &file);
static const size_t g_maxBitDepth;
- static const std::vector<int> g_bitDepths;
+ static const std::array<int, 3> g_bitDepths;
static const size_t g_maxBytesPP;
// size of header entries in bytes
static const size_t g_maxLenHdr;
diff --git a/Framework/DataHandling/inc/MantidDataHandling/SaveSESANS.h b/Framework/DataHandling/inc/MantidDataHandling/SaveSESANS.h
index 6a7c461d8c82263b3b2ddf245ac90a1795b06099..185f10b0cbf4ab9b92e1f3756688d0d1b64a7706 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/SaveSESANS.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/SaveSESANS.h
@@ -17,11 +17,12 @@ namespace DataHandling {
<UL>
<LI> InputWorkspace - The name of the workspace to save</LI>
<LI> Filename - The path to save the file</LI>
- <LI> ThetaZMax - TODO : Find a good description for this</LI>
+ <LI> ThetaZMax - The angular acceptance in the encoding direction</LI>
<LI> ThetaZMazUnit - Unit for theta_znmax</LI>
- <LI> ThetaYMax - TODO : Find a good description for this</LI>
+ <LI> ThetaYMax - The angular acceptance in the non-encoding direction</LI>
<LI> ThetaYMazUnit - Unit for theta_ymax</LI>
- <LI> EchoConstant - The echo constant
+ <LI> EchoConstant - The spin echo length, in nanometers,
+ probed by a 1A neutron</LI>
</UL>
@author Joseph Ramsay, ISIS
diff --git a/Framework/DataHandling/src/CreateChopperModel.cpp b/Framework/DataHandling/src/CreateChopperModel.cpp
index ea63c18d985ce6dac0704fe27db7b42e293dba75..7c6981d5a6ff2a265200dfe5c3eff01cb3cea376 100644
--- a/Framework/DataHandling/src/CreateChopperModel.cpp
+++ b/Framework/DataHandling/src/CreateChopperModel.cpp
@@ -42,7 +42,7 @@ void CreateChopperModel::init() {
Direction::InOut),
"An workspace to attach the model");
- std::vector<std::string> keys(1, "FermiChopperModel");
+ std::array<std::string, 1> keys = {{"FermiChopperModel"}};
declareProperty("ModelType", "",
boost::make_shared<ListValidator<std::string>>(keys),
"The string identifier for the model", Direction::Input);
diff --git a/Framework/DataHandling/src/CreateModeratorModel.cpp b/Framework/DataHandling/src/CreateModeratorModel.cpp
index 730de6021f1d11b9e83c991fc0fb36e4a22318d0..1ced52977bc207a15bb88ab741b55d509904d960 100644
--- a/Framework/DataHandling/src/CreateModeratorModel.cpp
+++ b/Framework/DataHandling/src/CreateModeratorModel.cpp
@@ -40,7 +40,7 @@ void CreateModeratorModel::init() {
Direction::InOut),
"An input workspace.");
- std::vector<std::string> keys(1, "IkedaCarpenterModerator");
+ std::array<std::string, 1> keys = {{"IkedaCarpenterModerator"}};
declareProperty("ModelType", "",
boost::make_shared<ListValidator<std::string>>(keys),
"The string identifier for the model", Direction::Input);
diff --git a/Framework/DataHandling/src/DataBlockComposite.cpp b/Framework/DataHandling/src/DataBlockComposite.cpp
index 73da894721584cf8180be6ef52c776476cc5b804..50d25d844d1a87d2e834b82e15c32e358dab14d9 100644
--- a/Framework/DataHandling/src/DataBlockComposite.cpp
+++ b/Framework/DataHandling/src/DataBlockComposite.cpp
@@ -412,6 +412,7 @@ void DataBlockComposite::removeSpectra(DataBlockComposite &toRemove) {
// Get intervals for the data blocks which should be removed
auto removeBlocks = toRemove.getDataBlocks();
std::vector<std::pair<int64_t, int64_t>> toRemoveIntervals;
+ toRemoveIntervals.reserve(removeBlocks.size());
for (const auto &dataBlock : removeBlocks) {
toRemoveIntervals.emplace_back(dataBlock.getMinSpectrumID(),
dataBlock.getMaxSpectrumID());
diff --git a/Framework/DataHandling/src/DownloadInstrument.cpp b/Framework/DataHandling/src/DownloadInstrument.cpp
index 5bd0af84487f294cd50e03b5147aa47a95407ef7..1b45d90322b641f2f5e3fa1c6cac454bb072bde9 100644
--- a/Framework/DataHandling/src/DownloadInstrument.cpp
+++ b/Framework/DataHandling/src/DownloadInstrument.cpp
@@ -204,7 +204,7 @@ DownloadInstrument::StringToStringMap DownloadInstrument::processRepository() {
if ((sha != installSha) && (sha != localSha)) {
fileMap.emplace(htmlUrl,
filePath.toString()); // ACTION - DOWNLOAD to localPath
- } else if ((localSha != "") && (sha == installSha) &&
+ } else if ((!localSha.empty()) && (sha == installSha) &&
(sha != localSha)) // matches install, but different local
{
fileMap.emplace(
diff --git a/Framework/DataHandling/src/LoadAscii.cpp b/Framework/DataHandling/src/LoadAscii.cpp
index c34c5fcf89c04babfc86ea465b58f2b9d9eb3d1a..cb33cb8f7a41c22d5aeaa036a28116bbd2a201ab 100644
--- a/Framework/DataHandling/src/LoadAscii.cpp
+++ b/Framework/DataHandling/src/LoadAscii.cpp
@@ -319,13 +319,14 @@ void LoadAscii::init() {
{"Colon", ":"},
{"SemiColon", ";"}};
// For the ListValidator
- std::vector<std::string> sepOptions;
+ std::array<std::string, 5> sepOptions;
for (size_t i = 0; i < 5; ++i) {
- std::string option = spacers[i][0];
+ const auto &option = spacers[i][0];
m_separatorIndex.insert(
std::pair<std::string, std::string>(option, spacers[i][1]));
- sepOptions.push_back(option);
+ sepOptions[i] = option;
}
+
declareProperty(
"Separator", "Automatic",
boost::make_shared<StringListValidator>(sepOptions),
diff --git a/Framework/DataHandling/src/LoadAscii2.cpp b/Framework/DataHandling/src/LoadAscii2.cpp
index e5ccb44c41b46c8b3b262c1f4f4c205941c92a1e..16742656887350eaeb14eddd395f522e0d55ef66 100644
--- a/Framework/DataHandling/src/LoadAscii2.cpp
+++ b/Framework/DataHandling/src/LoadAscii2.cpp
@@ -601,21 +601,25 @@ void LoadAscii2::init() {
"filled with the read-in data and stored in the [[Analysis "
"Data Service]].");
- std::string spacers[7][2] = {{"Automatic", ",\t:; "},
- {"CSV", ","},
- {"Tab", "\t"},
- {"Space", " "},
- {"Colon", ":"},
- {"SemiColon", ";"},
- {"UserDefined", "UserDefined"}};
+ const int numSpacers = 7;
+ std::string spacers[numSpacers][2] = {{"Automatic", ",\t:; "},
+ {"CSV", ","},
+ {"Tab", "\t"},
+ {"Space", " "},
+ {"Colon", ":"},
+ {"SemiColon", ";"},
+ {"UserDefined", "UserDefined"}};
// For the ListValidator
- std::vector<std::string> sepOptions;
- for (auto &spacer : spacers) {
- std::string option = spacer[0];
+ std::array<std::string, numSpacers> sepOptions;
+ int sepOptionsIndex = 0;
+
+ for (const auto &spacer : spacers) {
+ const auto &option = spacer[0];
m_separatorIndex.insert(
std::pair<std::string, std::string>(option, spacer[1]));
- sepOptions.push_back(option);
+ sepOptions[sepOptionsIndex++] = option;
}
+
declareProperty("Separator", "Automatic",
boost::make_shared<StringListValidator>(sepOptions),
"The separator between data columns in the data file. The "
@@ -671,7 +675,7 @@ void LoadAscii2::exec() {
std::string sep;
// If the custom separator property is not empty, then we use that under any
// circumstance.
- if (custom != "") {
+ if (!custom.empty()) {
sep = custom;
}
// Else if the separator drop down choice is not UserDefined then we use that.
diff --git a/Framework/DataHandling/src/LoadDiffCal.cpp b/Framework/DataHandling/src/LoadDiffCal.cpp
index 08d61bf7f528f504f80312dccd3339f66630b6ed..4c16d0b6447c26d1fae3775b2e83c629b17836c7 100644
--- a/Framework/DataHandling/src/LoadDiffCal.cpp
+++ b/Framework/DataHandling/src/LoadDiffCal.cpp
@@ -347,10 +347,11 @@ void LoadDiffCal::runLoadCalFile() {
bool makeCalWS = getProperty("MakeCalWorkspace");
bool makeMaskWS = getProperty("MakeMaskWorkspace");
bool makeGroupWS = getProperty("MakeGroupingWorkspace");
+ API::MatrixWorkspace_sptr inputWs = getProperty("InputWorkspace");
auto alg = createChildAlgorithm("LoadCalFile", 0., 1.);
alg->setPropertyValue("CalFilename", m_filename);
- alg->setPropertyValue("InputWorkspace", getPropertyValue("InputWorkspace"));
+ alg->setProperty("InputWorkspace", inputWs);
alg->setPropertyValue("InstrumentName", getPropertyValue("InstrumentName"));
alg->setPropertyValue("InstrumentFilename",
getPropertyValue("InstrumentFilename"));
diff --git a/Framework/DataHandling/src/LoadFITS.cpp b/Framework/DataHandling/src/LoadFITS.cpp
index 0754635782a1e2666c4d2080767dc144d87ef623..694bbb047437c4c6b578030dab7f6793a178b0b1 100644
--- a/Framework/DataHandling/src/LoadFITS.cpp
+++ b/Framework/DataHandling/src/LoadFITS.cpp
@@ -293,7 +293,7 @@ void LoadFITS::loadHeader(const std::string &filePath, FITSInfo &header) {
}
// scale parameter, header BSCALE in the fits standard
- if ("" == header.headerKeys[m_headerScaleKey]) {
+ if (header.headerKeys[m_headerScaleKey].empty()) {
header.scale = 1;
} else {
try {
@@ -308,7 +308,7 @@ void LoadFITS::loadHeader(const std::string &filePath, FITSInfo &header) {
}
// data offsset parameter, header BZERO in the fits standard
- if ("" == header.headerKeys[m_headerOffsetKey]) {
+ if (header.headerKeys[m_headerOffsetKey].empty()) {
header.offset = 0;
} else {
try {
@@ -361,7 +361,7 @@ void LoadFITS::loadHeader(const std::string &filePath, FITSInfo &header) {
void LoadFITS::headerSanityCheck(const FITSInfo &hdr,
const FITSInfo &hdrFirst) {
bool valid = true;
- if (hdr.extension != "") {
+ if (!hdr.extension.empty()) {
valid = false;
g_log.error() << "File " << hdr.filePath
<< ": extensions found in the header.\n";
@@ -625,7 +625,7 @@ void LoadFITS::parseHeader(FITSInfo &headerInfo) {
if (key == g_END_KEYNAME)
endFound = true;
- if (key != "")
+ if (!key.empty())
headerInfo.headerKeys[key] = value;
}
}
@@ -1141,7 +1141,7 @@ void LoadFITS::setupDefaultKeywordNames() {
* Maps the header keys to specified values
*/
void LoadFITS::mapHeaderKeys() {
- if ("" == getPropertyValue(g_HEADER_MAP_NAME))
+ if (getPropertyValue(g_HEADER_MAP_NAME).empty())
return;
// If a map file is selected, use that.
@@ -1157,19 +1157,19 @@ void LoadFITS::mapHeaderKeys() {
while (getline(fStream, line)) {
boost::split(lineSplit, line, boost::is_any_of("="));
- if (lineSplit[0] == g_ROTATION_NAME && lineSplit[1] != "")
+ if (lineSplit[0] == g_ROTATION_NAME && !lineSplit[1].empty())
m_headerRotationKey = lineSplit[1];
- if (lineSplit[0] == g_BIT_DEPTH_NAME && lineSplit[1] != "")
+ if (lineSplit[0] == g_BIT_DEPTH_NAME && !lineSplit[1].empty())
m_headerBitDepthKey = lineSplit[1];
- if (lineSplit[0] == g_AXIS_NAMES_NAME && lineSplit[1] != "") {
+ if (lineSplit[0] == g_AXIS_NAMES_NAME && !lineSplit[1].empty()) {
m_headerAxisNameKeys.clear();
boost::split(m_headerAxisNameKeys, lineSplit[1],
boost::is_any_of(","));
}
- if (lineSplit[0] == g_IMAGE_KEY_NAME && lineSplit[1] != "") {
+ if (lineSplit[0] == g_IMAGE_KEY_NAME && !lineSplit[1].empty()) {
m_headerImageKeyKey = lineSplit[1];
}
}
diff --git a/Framework/DataHandling/src/LoadFullprofResolution.cpp b/Framework/DataHandling/src/LoadFullprofResolution.cpp
index 32c8bc93506f25537b1ce06e6e4902bd4996d301..cb0e15e01287afd33a56ae11450e397fa30c3717 100644
--- a/Framework/DataHandling/src/LoadFullprofResolution.cpp
+++ b/Framework/DataHandling/src/LoadFullprofResolution.cpp
@@ -189,7 +189,7 @@ void LoadFullprofResolution::exec() {
// Generate output table workspace
API::ITableWorkspace_sptr outTabWs = genTableWorkspace(bankparammap);
- if (getPropertyValue("OutputTableWorkspace") != "") {
+ if (!getPropertyValue("OutputTableWorkspace").empty()) {
// Output the output table workspace
setProperty("OutputTableWorkspace", outTabWs);
}
@@ -225,7 +225,7 @@ void LoadFullprofResolution::exec() {
loadParamAlg->execute();
}
}
- } else if (getPropertyValue("OutputTableWorkspace") == "") {
+ } else if (getPropertyValue("OutputTableWorkspace").empty()) {
// We don't know where to output
throw std::runtime_error(
"Either the OutputTableWorkspace or Workspace property must be set.");
diff --git a/Framework/DataHandling/src/LoadGSASInstrumentFile.cpp b/Framework/DataHandling/src/LoadGSASInstrumentFile.cpp
index 239ea187ff49047152f221f36e53d16d585be4f9..ca4e25413be5a612a4dec884a2942202e9543b29 100644
--- a/Framework/DataHandling/src/LoadGSASInstrumentFile.cpp
+++ b/Framework/DataHandling/src/LoadGSASInstrumentFile.cpp
@@ -151,7 +151,7 @@ void LoadGSASInstrumentFile::exec() {
WorkspaceGroup_sptr wsg = getProperty("Workspace");
// Generate output table workspace
API::ITableWorkspace_sptr outTabWs = genTableWorkspace(bankparammap);
- if (getPropertyValue("OutputTableWorkspace") != "") {
+ if (!getPropertyValue("OutputTableWorkspace").empty()) {
// Output the output table workspace
setProperty("OutputTableWorkspace", outTabWs);
}
diff --git a/Framework/DataHandling/src/LoadIDFFromNexus.cpp b/Framework/DataHandling/src/LoadIDFFromNexus.cpp
index f68ae54eb58d351ee064453a00349d043824e8ed..74305f3eedfbe26a71f97511f9b6c905e52a2abd 100644
--- a/Framework/DataHandling/src/LoadIDFFromNexus.cpp
+++ b/Framework/DataHandling/src/LoadIDFFromNexus.cpp
@@ -88,7 +88,7 @@ void LoadIDFFromNexus::exec() {
// Look for parameter correction file
std::string parameterCorrectionFile =
getPropertyValue("ParameterCorrectionFilePath");
- if (parameterCorrectionFile == "") {
+ if (parameterCorrectionFile.empty()) {
parameterCorrectionFile =
getParameterCorrectionFile(localWorkspace->getInstrument()->getName());
}
@@ -98,7 +98,7 @@ void LoadIDFFromNexus::exec() {
// Read parameter correction file, if found
std::string correctionParameterFile;
bool append = false;
- if (parameterCorrectionFile != "") {
+ if (!parameterCorrectionFile.empty()) {
// Read parameter correction file
// to find out which parameter file to use
// and whether it is appended to default parameters.
@@ -112,7 +112,7 @@ void LoadIDFFromNexus::exec() {
// Load default parameters if either there is no correction parameter file or
// it is to be appended.
- if (correctionParameterFile == "" || append) {
+ if (correctionParameterFile.empty() || append) {
LoadParameters(&nxfile, localWorkspace);
} else { // Else clear the parameters
g_log.notice() << "Parameters to be replaced are cleared.\n";
@@ -120,7 +120,7 @@ void LoadIDFFromNexus::exec() {
}
// Load parameters from correction parameter file, if it exists
- if (correctionParameterFile != "") {
+ if (!correctionParameterFile.empty()) {
Poco::Path corrFilePath(parameterCorrectionFile);
g_log.debug() << "Correction file path: " << corrFilePath.toString()
<< "\n";
@@ -200,7 +200,7 @@ void LoadIDFFromNexus::readParameterCorrectionFile(
append = false;
// Check the date.
- if (date == "") {
+ if (date.empty()) {
g_log.notice() << "No date is supplied for parameter correction file "
<< correction_file << ". Correction file is ignored.\n";
return;
diff --git a/Framework/DataHandling/src/LoadILLDiffraction.cpp b/Framework/DataHandling/src/LoadILLDiffraction.cpp
index 707c1e4661b527c36f25c600b3d8d85ece95de9f..c6e8b01f078beebecc8d281cd36193300aeaff6b 100644
--- a/Framework/DataHandling/src/LoadILLDiffraction.cpp
+++ b/Framework/DataHandling/src/LoadILLDiffraction.cpp
@@ -281,7 +281,7 @@ V3D LoadILLDiffraction::getReferenceComponentPosition(
const MatrixWorkspace_sptr &instrumentWorkspace) {
if (m_instName == "D2B") {
return instrumentWorkspace->getInstrument()
- ->getComponentByName("tube_1")
+ ->getComponentByName("tube_128")
->getPos();
}
@@ -308,8 +308,14 @@ void LoadILLDiffraction::calculateRelativeRotations(
double firstTubeRotationAngle =
firstTubePosition.angle(V3D(0, 0, 1)) * rad2deg;
- if (m_instName == "D20")
+ if (m_instName == "D20") {
firstTubeRotationAngle += D20_NUMBER_DEAD_PIXELS * D20_PIXEL_SIZE;
+ } else if (m_instName == "D2B") {
+ firstTubeRotationAngle = -firstTubeRotationAngle;
+ std::transform(tubeRotations.begin(), tubeRotations.end(),
+ tubeRotations.begin(),
+ [&](double angle) { return (-angle); });
+ }
g_log.debug() << "First tube rotation:" << firstTubeRotationAngle << "\n";
@@ -480,7 +486,7 @@ std::vector<double> LoadILLDiffraction::getScannedVaribleByPropertyName(
}
}
- if (scannedVariable.size() == 0)
+ if (scannedVariable.empty())
throw std::runtime_error(
"Can not load file because scanned variable with property name " +
propertyName + " was not found");
diff --git a/Framework/DataHandling/src/LoadILLIndirect2.cpp b/Framework/DataHandling/src/LoadILLIndirect2.cpp
index 4a40a4d3eb8c1a6041b6cf02746190d1be245d6d..9360967a296c627d32fd0d4707f02cd177d87ce5 100644
--- a/Framework/DataHandling/src/LoadILLIndirect2.cpp
+++ b/Framework/DataHandling/src/LoadILLIndirect2.cpp
@@ -130,7 +130,7 @@ void LoadILLIndirect2::exec() {
void LoadILLIndirect2::setInstrumentName(
const NeXus::NXEntry &firstEntry, const std::string &instrumentNamePath) {
- if (instrumentNamePath == "") {
+ if (instrumentNamePath.empty()) {
std::string message("Cannot set the instrument name from the Nexus file!");
g_log.error(message);
throw std::runtime_error(message);
diff --git a/Framework/DataHandling/src/LoadILLReflectometry.cpp b/Framework/DataHandling/src/LoadILLReflectometry.cpp
index 8a5b69d8b49a622c19b667de27f1fe062e352fc3..f55f53a7cf020dba3ac6f0f8c6d1aec2417fc1db 100644
--- a/Framework/DataHandling/src/LoadILLReflectometry.cpp
+++ b/Framework/DataHandling/src/LoadILLReflectometry.cpp
@@ -1,22 +1,181 @@
-/*WIKI*
- TODO: Enter a full wiki-markup description of your algorithm here. You can then
- use the Build/wiki_maker.py script to generate your full wiki page.
- *WIKI*/
-
#include "MantidDataHandling/LoadILLReflectometry.h"
+
#include "MantidAPI/Axis.h"
#include "MantidAPI/FileProperty.h"
+#include "MantidAPI/FunctionFactory.h"
+#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/RegisterFileLoader.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidDataObjects/TableWorkspace.h"
+#include "MantidHistogramData/LinearGenerator.h"
+#include "MantidKernel/BoundedValidator.h"
+#include "MantidKernel/EnabledWhenProperty.h"
+#include "MantidKernel/ListValidator.h"
#include "MantidKernel/OptionalBool.h"
#include "MantidKernel/Quat.h"
#include "MantidKernel/UnitFactory.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidDataObjects/WorkspaceCreation.h"
+
+namespace {
+/// A struct for information needed for detector angle calibration.
+struct DirectBeamMeasurement {
+ double detectorAngle;
+ double detectorDistance;
+ double fittedPeakCentre;
+ double positionOfMaximum;
+};
+
+/** Convert degrees to radians.
+ * @param x an angle in degrees
+ * @return the angle in radians
+ */
+constexpr double inRad(const double x) { return x * M_PI / 180; }
+
+/** Convert radians to degrees.
+ * @param x an angle in radians
+ * @return the angle in degrees
+ */
+constexpr double inDeg(const double x) { return x * 180 / M_PI; }
+
+/** Convert millimeters to meters.
+ * @param x a distance in millimeters
+ * @return the distance in meters
+ */
+constexpr double inMeter(const double x) { return x * 1e-3; }
+
+/** Create a table with data needed for detector angle calibration.
+ * @param info data to be written to the table
+ * @return a TableWorkspace containing the beam position info
+ */
+Mantid::API::ITableWorkspace_sptr
+createBeamPositionTable(const DirectBeamMeasurement &info) {
+ auto table = Mantid::API::WorkspaceFactory::Instance().createTable();
+ table->addColumn("double", "DetectorAngle");
+ table->addColumn("double", "DetectorDistance");
+ table->addColumn("double", "FittedPeakCentre");
+ table->addColumn("double", "PositionOfMaximum");
+ table->appendRow();
+ auto col = table->getColumn("DetectorAngle");
+ col->cell<double>(0) = info.detectorAngle;
+ col = table->getColumn("DetectorDistance");
+ col->cell<double>(0) = info.detectorDistance;
+ col = table->getColumn("FittedPeakCentre");
+ col->cell<double>(0) = info.fittedPeakCentre;
+ col = table->getColumn("PositionOfMaximum");
+ col->cell<double>(0) = info.positionOfMaximum;
+ return table;
+}
+
+/** Strip monitors from the beginning and end of a workspace.
+ * @param ws a workspace to work on
+ * @return begin and end ws indices for non-monitor histograms
+ */
+std::pair<size_t, size_t>
+fitIntegrationWSIndexRange(const Mantid::API::MatrixWorkspace &ws) {
+ const size_t nHisto = ws.getNumberHistograms();
+ size_t begin = 0;
+ const auto &spectrumInfo = ws.spectrumInfo();
+ for (size_t i = 0; i < nHisto; ++i) {
+ if (!spectrumInfo.isMonitor(i)) {
+ break;
+ }
+ ++begin;
+ }
+ size_t end = nHisto - 1;
+ for (ptrdiff_t i = static_cast<ptrdiff_t>(nHisto) - 1; i != 0; --i) {
+ if (!spectrumInfo.isMonitor(i)) {
+ break;
+ }
+ --end;
+ }
+ return std::pair<size_t, size_t>{begin, end};
+}
+
+/** Construct a DirectBeamMeasurement object from a beam position table.
+ * @param table a beam position TableWorkspace
+ * @return a DirectBeamMeasurement object corresonding to the table parameter.
+ */
+DirectBeamMeasurement
+parseBeamPositionTable(const Mantid::API::ITableWorkspace &table) {
+ if (table.rowCount() != 1) {
+ throw std::runtime_error("BeamPosition table should have a single row.");
+ }
+ DirectBeamMeasurement m;
+ auto col = table.getColumn("DetectorAngle");
+ m.detectorAngle = col->cell<double>(0);
+ col = table.getColumn("DetectorDistance");
+ m.detectorDistance = col->cell<double>(0);
+ col = table.getColumn("FittedPeakCentre");
+ m.fittedPeakCentre = col->cell<double>(0);
+ col = table.getColumn("PositionOfMaximum");
+ m.positionOfMaximum = col->cell<double>(0);
+ return m;
+}
-#include <boost/algorithm/string.hpp>
-#include <algorithm>
+/** Fill the X values of the first histogram of ws with values 0, 1, 2,...
+ * @param ws a workspace to modify
+ */
+void rebinIntegralWorkspace(Mantid::API::MatrixWorkspace &ws) {
+ auto &xs = ws.mutableX(0);
+ std::iota(xs.begin(), xs.end(), 0.0);
+}
+
+/// Enumerations to define the rotation plane of the detector.
+enum class RotationPlane { horizontal, vertical };
-#include <nexus/napi.h>
+/** Calculate the detector position from given parameters.
+ * @param plane rotation plane of the detector
+ * @param distance sample to detector centre distance in meters
+ * @param angle an angle between the Z axis and the detector in degrees
+ * @return a vector pointing to the new detector centre
+ */
+Mantid::Kernel::V3D detectorPosition(const RotationPlane plane,
+ const double distance,
+ const double angle) {
+ const double a = inRad(angle);
+ double x, y, z;
+ switch (plane) {
+ case RotationPlane::horizontal:
+ x = distance * std::sin(a);
+ y = 0;
+ z = distance * std::cos(a);
+ break;
+ case RotationPlane::vertical:
+ x = 0;
+ y = distance * std::sin(a);
+ z = distance * std::cos(a);
+ break;
+ }
+ return Mantid::Kernel::V3D(x, y, z);
+}
+
+/** Calculates the detector rotation such that it faces the origin.
+ * @param plane rotation plane of the detectorPosition
+ * @param angle an angle between the Z axis and the detector in degrees
+ * @return the calculated rotation transformation
+ */
+Mantid::Kernel::Quat detectorFaceRotation(const RotationPlane plane,
+ const double angle) {
+ const Mantid::Kernel::V3D axis = [plane]() {
+ double x, y;
+ switch (plane) {
+ case RotationPlane::horizontal:
+ x = 0;
+ y = 1;
+ break;
+ case RotationPlane::vertical:
+ x = -1;
+ y = 0;
+ break;
+ }
+ return Mantid::Kernel::V3D(x, y, 0);
+ }();
+ return Mantid::Kernel::Quat(angle, axis);
+}
+} // anonymous namespace
namespace Mantid {
namespace DataHandling {
@@ -28,30 +187,6 @@ using namespace NeXus;
// Register the algorithm into the AlgorithmFactory
DECLARE_NEXUS_FILELOADER_ALGORITHM(LoadILLReflectometry)
-//----------------------------------------------------------------------------------------------
-/** Constructor
- */
-LoadILLReflectometry::LoadILLReflectometry()
- : m_numberOfTubes{0}, // number of tubes - X
- m_numberOfPixelsPerTube{0}, // number of pixels per tube - Y
- m_numberOfChannels{0}, // time channels - Z
- m_numberOfHistograms{0}, m_wavelength{0}, m_channelWidth{0},
- m_supportedInstruments{"D17"} {}
-
-//----------------------------------------------------------------------------------------------
-/// Algorithm's name for identification. @see Algorithm::name
-const std::string LoadILLReflectometry::name() const {
- return "LoadILLReflectometry";
-}
-
-/// Algorithm's version for identification. @see Algorithm::version
-int LoadILLReflectometry::version() const { return 1; }
-
-/// Algorithm's category for identification. @see Algorithm::category
-const std::string LoadILLReflectometry::category() const {
- return "DataHandling\\Nexus";
-}
-
/**
* Return the confidence with this algorithm can load the file
* @param descriptor A descriptor for the file
@@ -62,406 +197,617 @@ int LoadILLReflectometry::confidence(
Kernel::NexusDescriptor &descriptor) const {
// fields existent only at the ILL
- if (descriptor.pathExists("/entry0/wavelength") // ILL
- && descriptor.pathExists("/entry0/experiment_identifier") // ILL
- && descriptor.pathExists("/entry0/mode") // ILL
- && descriptor.pathExists("/entry0/instrument/Chopper1") // TO BE DONE
- && descriptor.pathExists("/entry0/instrument/Chopper2") // ???
- ) {
+ if ((descriptor.pathExists("/entry0/wavelength") || // ILL D17
+ descriptor.pathExists("/entry0/theta")) // ILL Figaro
+ &&
+ descriptor.pathExists("/entry0/experiment_identifier") &&
+ descriptor.pathExists("/entry0/mode") &&
+ (descriptor.pathExists("/entry0/instrument/VirtualChopper") || // ILL D17
+ descriptor.pathExists("/entry0/instrument/Theta")) // ILL Figaro
+ )
return 80;
- } else {
+ else
return 0;
- }
}
-//----------------------------------------------------------------------------------------------
-/** Initialize the algorithm's properties.
- */
+/// Initialize the algorithm's properties.
void LoadILLReflectometry::init() {
- declareProperty(
- make_unique<FileProperty>("Filename", "", FileProperty::Load, ".nxs"),
- "File path of the Data file to load");
-
- declareProperty(make_unique<WorkspaceProperty<>>("OutputWorkspace", "",
- Direction::Output),
- "The name to use for the output workspace");
+ declareProperty(Kernel::make_unique<FileProperty>("Filename", std::string(),
+ FileProperty::Load, ".nxs",
+ Direction::Input),
+ "Name of the Nexus file to load");
+
+ declareProperty(Kernel::make_unique<WorkspaceProperty<>>(
+ "OutputWorkspace", std::string(), Direction::Output),
+ "Name of the output workspace");
+
+ declareProperty(Kernel::make_unique<WorkspaceProperty<ITableWorkspace>>(
+ "OutputBeamPosition", std::string(), Direction::Output,
+ PropertyMode::Optional),
+ "Name of the fitted beam position output workspace");
+
+ declareProperty(Kernel::make_unique<WorkspaceProperty<ITableWorkspace>>(
+ "BeamPosition", std::string(), Direction::Input,
+ PropertyMode::Optional),
+ "A workspace defining the beam position; used to calculate "
+ "the Bragg angle");
+
+ declareProperty("BraggAngle", EMPTY_DBL(),
+ "User defined Bragg angle in degrees");
+ const std::vector<std::string> availableUnits{"Wavelength", "TimeOfFlight"};
+ declareProperty("XUnit", "Wavelength",
+ boost::make_shared<StringListValidator>(availableUnits),
+ "X unit of the OutputWorkspace");
}
-//----------------------------------------------------------------------------------------------
/**
- * Run the Child Algorithm LoadInstrument.
- */
-void LoadILLReflectometry::runLoadInstrument() {
+ * Validate inputs
+ * @returns a string map containing the error messages
+ */
+std::map<std::string, std::string> LoadILLReflectometry::validateInputs() {
+ std::map<std::string, std::string> result;
+ if (!getPointerToProperty("BeamPosition")->isDefault() &&
+ !getPointerToProperty("BraggAngle")->isDefault()) {
+ result["BraggAngle"] = "User defined Bragg angle cannot be given "
+ "simultaneously to BeamPosition.";
+ }
+ if (!getPointerToProperty("BraggAngle")->isDefault() &&
+ !getPointerToProperty("OutputBeamPosition")->isDefault()) {
+ result["OutputBeamPosition"] = "Beam position will not be calculated as "
+ "user defined Bragg angle was given.";
+ }
+ return result;
+}
- IAlgorithm_sptr loadInst = createChildAlgorithm("LoadInstrument");
+/// Execute the algorithm.
+void LoadILLReflectometry::exec() {
+ // open the root node
+ NeXus::NXRoot root(getPropertyValue("Filename"));
+ NXEntry firstEntry{root.openFirstEntry()};
+ // load Monitor details: n. monitors x monitor contents
+ std::vector<std::vector<int>> monitorsData{loadMonitors(firstEntry)};
+ // set instrument specific names of Nexus file entries
+ initNames(firstEntry);
+ // load Data details (number of tubes, channels, etc)
+ loadDataDetails(firstEntry);
+ // initialise workspace
+ initWorkspace(monitorsData);
+ // load the instrument from the IDF if it exists
+ loadInstrument();
+ // get properties
+ loadNexusEntriesIntoProperties();
+ // load data into the workspace
+ loadData(firstEntry, monitorsData, getXValues());
+ root.close();
+ firstEntry.close();
+ // position the source
+ placeSource();
+ // position the detector
+ placeDetector();
+ convertTofToWavelength();
+ // Set the output workspace property
+ setProperty("OutputWorkspace", m_localWorkspace);
+} // exec
- // Now execute the Child Algorithm. Catch and log any error, but don't stop.
+/// Run the Child Algorithm LoadInstrument.
+void LoadILLReflectometry::loadInstrument() {
+ // execute the Child Algorithm. Catch and log any error, but don't stop.
+ g_log.debug("Loading instrument definition...");
try {
-
+ IAlgorithm_sptr loadInst = createChildAlgorithm("LoadInstrument");
loadInst->setPropertyValue("InstrumentName", m_instrumentName);
loadInst->setProperty("RewriteSpectraMap",
Mantid::Kernel::OptionalBool(true));
loadInst->setProperty<MatrixWorkspace_sptr>("Workspace", m_localWorkspace);
- loadInst->execute();
-
+ loadInst->executeAsChildAlg();
} catch (std::runtime_error &e) {
g_log.information()
- << "Unable to successfully run LoadInstrument Child Algorithm : "
+ << "Unable to succesfully run LoadInstrument child algorithm: "
<< e.what() << '\n';
}
}
-//----------------------------------------------------------------------------------------------
-/** Execute the algorithm.
- */
-void LoadILLReflectometry::exec() {
- // Retrieve filename
- std::string filenameData = getPropertyValue("Filename");
-
- // open the root node
- NeXus::NXRoot dataRoot(filenameData);
- NXEntry firstEntry = dataRoot.openFirstEntry();
-
- // Load Monitor details: n. monitors x monitor contents
- std::vector<std::vector<int>> monitorsData = loadMonitors(firstEntry);
-
- // Load Data details (number of tubes, channels, etc)
- loadDataDetails(firstEntry);
-
- std::string instrumentPath = m_loader.findInstrumentNexusPath(firstEntry);
- setInstrumentName(firstEntry, instrumentPath);
-
- initWorkSpace(firstEntry, monitorsData);
-
- g_log.debug("Building properties...");
- loadNexusEntriesIntoProperties(filenameData);
-
- g_log.debug("Loading data...");
- loadDataIntoTheWorkSpace(firstEntry, monitorsData);
-
- // load the instrument from the IDF if it exists
- g_log.debug("Loading instrument definition...");
- runLoadInstrument();
-
- // 1) Move
-
- // Get distance and tilt angle stored in nexus file
- // Mantid way
- //// auto angleProp =
- /// dynamic_cast<PropertyWithValue<double>*>(m_localWorkspace->run().getProperty("dan.value"));
- // Nexus way
- double angle =
- firstEntry.getFloat("instrument/dan/value"); // detector angle in degrees
- double distance = firstEntry.getFloat(
- "instrument/det/value"); // detector distance in millimeter
-
- distance /= 1000.0; // convert to meter
- g_log.debug() << "Moving detector at angle " << angle << " and distance "
- << distance << '\n';
- placeDetector(distance, angle);
-
- // Set the channel width property
- auto channel_width = dynamic_cast<PropertyWithValue<double> *>(
- m_localWorkspace->run().getProperty("monitor1.time_of_flight_0"));
- m_localWorkspace->mutableRun().addProperty<double>(
- "channel_width", *channel_width, true); // overwrite
-
- // Set the output workspace property
- setProperty("OutputWorkspace", m_localWorkspace);
-}
-
/**
- * Set member variable with the instrument name
- */
-void LoadILLReflectometry::setInstrumentName(
- const NeXus::NXEntry &firstEntry, const std::string &instrumentNamePath) {
+ * Init names of member variables based on instrument specific NeXus file
+ * entries
+ *
+ * @param entry :: the NeXus file entry
+ */
+void LoadILLReflectometry::initNames(NeXus::NXEntry &entry) {
+ std::string instrumentNamePath = m_loader.findInstrumentNexusPath(entry);
+ m_instrumentName = entry.getString(instrumentNamePath.append("/name"));
+ if (m_instrumentName.empty())
+ throw std::runtime_error(
+ "Cannot set the instrument name from the Nexus file!");
+ // In NeXus files names are: D17 and figaro. The instrument
+ // definition is independent and names start with a capital letter. This
+ // loader follows its convention.
+ boost::to_lower(m_instrumentName);
+ m_instrumentName[0] = char((std::toupper(m_instrumentName[0])));
+ g_log.debug() << "Instrument name: " << m_instrumentName << '\n';
+ if (m_instrumentName == "D17") {
+ m_detectorDistance = "det";
+ m_detectorAngleName = "dan.value";
+ m_sampleAngleName = "san.value";
+ m_offsetFrom = "VirtualChopper";
+ m_offsetName = "open_offset";
+ m_pixelCentre = 127.5;
+ m_chopper1Name = "Chopper1";
+ m_chopper2Name = "Chopper2";
+ } else if (m_instrumentName == "Figaro") {
+ // TODO Figaro's detector position should be calculated from
+ // some motor positions, not from DTR and some offset value.
+ m_detectorDistance = "DTR";
+ // TODO Figaro's detector angle may need to be calculated
+ // from some motor positions instead.
+ m_detectorAngleName = "VirtualAxis.DAN_actual_angle";
+ m_sampleAngleName = "CollAngle.actual_coll_angle";
+ m_offsetFrom = "CollAngle";
+ m_offsetName = "openOffset";
+ m_pixelCentre = 127.5;
+ // Figaro: find out which of the four choppers are used
+ NXFloat firstChopper =
+ entry.openNXFloat("instrument/ChopperSetting/firstChopper");
+ firstChopper.load();
+ NXFloat secondChopper =
+ entry.openNXFloat("instrument/ChopperSetting/secondChopper");
+ secondChopper.load();
+ m_chopper1Name = "CH" + std::to_string(int(firstChopper[0]));
+ m_chopper2Name = "CH" + std::to_string(int(secondChopper[0]));
+ }
+ // get acquisition mode
+ NXInt acqMode = entry.openNXInt("acquisition_mode");
+ acqMode.load();
+ m_acqMode = acqMode[0];
+ m_acqMode ? g_log.debug("TOF mode") : g_log.debug("Monochromatic Mode");
+}
- if (instrumentNamePath == "") {
- std::string message("Cannot set the instrument name from the Nexus file!");
- g_log.error(message);
- throw std::runtime_error(message);
+/// Call child algorithm ConvertUnits for conversion from TOF to wavelength
+void LoadILLReflectometry::convertTofToWavelength() {
+ if (m_acqMode && (getPropertyValue("XUnit") == "Wavelength")) {
+ auto convertToWavelength =
+ createChildAlgorithm("ConvertUnits", -1, -1, true);
+ convertToWavelength->initialize();
+ convertToWavelength->setProperty<MatrixWorkspace_sptr>("InputWorkspace",
+ m_localWorkspace);
+ convertToWavelength->setProperty<MatrixWorkspace_sptr>("OutputWorkspace",
+ m_localWorkspace);
+ convertToWavelength->setPropertyValue("Target", "Wavelength");
+ convertToWavelength->executeAsChildAlg();
}
- m_instrumentName =
- m_loader.getStringFromNexusPath(firstEntry, instrumentNamePath + "/name");
- boost::to_upper(m_instrumentName); // "D17" in file, keep it upper case.
- g_log.debug() << "Instrument name set to: " + m_instrumentName << '\n';
}
/**
* Creates the workspace and initialises member variables with
* the corresponding values
*
- * @param entry :: The Nexus entry
* @param monitorsData :: Monitors data already loaded
- *
*/
-void LoadILLReflectometry::initWorkSpace(
- NeXus::NXEntry & /*entry*/, std::vector<std::vector<int>> monitorsData) {
-
- // dim0 * m_numberOfPixelsPerTube is the total number of detectors
- m_numberOfHistograms = m_numberOfTubes * m_numberOfPixelsPerTube;
-
- g_log.debug() << "NumberOfTubes: " << m_numberOfTubes << '\n';
- g_log.debug() << "NumberOfPixelsPerTube: " << m_numberOfPixelsPerTube << '\n';
- g_log.debug() << "NumberOfChannels: " << m_numberOfChannels << '\n';
- g_log.debug() << "Monitors: " << monitorsData.size() << '\n';
- g_log.debug() << "Monitors[0]: " << monitorsData[0].size() << '\n';
- g_log.debug() << "Monitors[1]: " << monitorsData[1].size() << '\n';
-
- // Now create the output workspace
-
- m_localWorkspace = WorkspaceFactory::Instance().create(
- "Workspace2D", m_numberOfHistograms + monitorsData.size(),
- m_numberOfChannels + 1, m_numberOfChannels);
-
- m_localWorkspace->getAxis(0)->unit() = UnitFactory::Instance().create("TOF");
-
+void LoadILLReflectometry::initWorkspace(
+ const std::vector<std::vector<int>> &monitorsData) {
+
+ g_log.debug() << "Number of monitors: " << monitorsData.size() << '\n';
+ for (size_t i = 0; i < monitorsData.size(); ++i) {
+ if (monitorsData[i].size() != m_numberOfChannels)
+ g_log.debug() << "Data size of monitor ID " << i << " is "
+ << monitorsData[i].size() << '\n';
+ }
+ // create the workspace
+ try {
+ m_localWorkspace = WorkspaceFactory::Instance().create(
+ "Workspace2D", m_numberOfHistograms + monitorsData.size(),
+ m_numberOfChannels + 1, m_numberOfChannels);
+ } catch (std::out_of_range &) {
+ throw std::runtime_error(
+ "Workspace2D cannot be created, check number of histograms (" +
+ std::to_string(m_numberOfHistograms) + "), monitors (" +
+ std::to_string(monitorsData.size()) + "), and channels (" +
+ std::to_string(m_numberOfChannels) + '\n');
+ }
+ if (m_acqMode)
+ m_localWorkspace->getAxis(0)->unit() =
+ UnitFactory::Instance().create("TOF");
m_localWorkspace->setYUnitLabel("Counts");
+ m_localWorkspace->mutableRun().addProperty("Facility", std::string("ILL"));
}
/**
* Load Data details (number of tubes, channels, etc)
+ *
* @param entry First entry of nexus file
*/
void LoadILLReflectometry::loadDataDetails(NeXus::NXEntry &entry) {
- // read in the data
- NXData dataGroup = entry.openNXData("data");
- NXInt data = dataGroup.openIntData();
+ // PSD data D17 256 x 1 x 1000
+ // PSD data Figaro 1 x 256 x 1000
+
+ if (m_acqMode) {
+ NXFloat timeOfFlight = entry.openNXFloat("instrument/PSD/time_of_flight");
+ timeOfFlight.load();
+ m_channelWidth = static_cast<double>(timeOfFlight[0]);
+ m_numberOfChannels = size_t(timeOfFlight[1]);
+ m_tofDelay = timeOfFlight[2];
+ if (m_instrumentName == "Figaro") {
+ NXFloat eDelay = entry.openNXFloat("instrument/Theta/edelay_delay");
+ eDelay.load();
+ m_tofDelay += static_cast<double>(eDelay[0]);
+ }
+ } else { // monochromatic mode
+ m_numberOfChannels = 1;
+ }
- m_numberOfTubes = static_cast<size_t>(data.dim0());
- m_numberOfPixelsPerTube = static_cast<size_t>(data.dim1());
- m_numberOfChannels = static_cast<size_t>(data.dim2());
+ NXInt nChannels = entry.openNXInt("instrument/PSD/detsize");
+ nChannels.load();
+ m_numberOfHistograms = nChannels[0];
+
+ std::string widthName;
+ if (m_instrumentName == "D17")
+ widthName = "mppx";
+ else if (m_instrumentName == "Figaro")
+ widthName = "mppy";
+
+ NXFloat pixelWidth = entry.openNXFloat("instrument/PSD/" + widthName);
+ pixelWidth.load();
+ m_pixelWidth = inMeter(static_cast<double>(pixelWidth[0]));
+
+ g_log.debug()
+ << "Please note that ILL reflectometry instruments have "
+ "several tubes, after integration one "
+ "tube remains in the Nexus file.\n Number of tubes (banks): 1\n";
+ g_log.debug() << "Number of pixels per tube (number of detectors and number "
+ "of histograms): " << m_numberOfHistograms << '\n';
+ g_log.debug() << "Number of time channels: " << m_numberOfChannels << '\n';
+ g_log.debug() << "Channel width: " << m_channelWidth << " 1e-6 sec\n";
+ g_log.debug() << "TOF delay: " << m_tofDelay << '\n';
+ g_log.debug() << "Pixel width: " << m_pixelWidth << '\n';
+}
+
+double LoadILLReflectometry::doubleFromRun(const std::string &entryName) const {
+ return m_localWorkspace->run().getPropertyValueAsType<double>(entryName);
}
/**
- * Load monitors data found in nexus file
+ * Load single monitor
*
* @param entry :: The Nexus entry
- *
+ * @param monitor_data :: A std::string containing the Nexus path to the monitor
+ *data
+ * @return monitor :: A std::vector containing monitor values
*/
-std::vector<std::vector<int>>
-LoadILLReflectometry::loadMonitors(NeXus::NXEntry &entry) {
- // read in the data
- g_log.debug("Fetching monitor data...");
-
- NXData dataGroup = entry.openNXData("monitor1/data");
+std::vector<int>
+LoadILLReflectometry::loadSingleMonitor(NeXus::NXEntry &entry,
+ const std::string &monitor_data) {
+ NXData dataGroup = entry.openNXData(monitor_data);
NXInt data = dataGroup.openIntData();
- // load the counts from the file into memory
+ // load counts
data.load();
-
- std::vector<std::vector<int>> monitors(
- 1); // vector of monitors with one entry
- std::vector<int> monitor1(data(), data() + data.size());
- monitors[0].swap(monitor1);
-
- // There is two monitors in data file, but the second one seems to be always 0
- dataGroup = entry.openNXData("monitor2/data");
- data = dataGroup.openIntData();
- data.load();
-
- std::vector<int> monitor2(data(), data() + data.size());
- monitors.push_back(monitor2);
-
- return monitors;
+ return std::vector<int>(data(), data() + data.size());
}
/**
- * Load data found in nexus file
+ * Load monitor data
*
* @param entry :: The Nexus entry
- * @param monitorsData :: Monitors data already loaded
- *
+ * @return :: A std::vector of vectors of monitors containing monitor values
*/
-void LoadILLReflectometry::loadDataIntoTheWorkSpace(
- NeXus::NXEntry &entry, std::vector<std::vector<int>> monitorsData) {
+std::vector<std::vector<int>>
+LoadILLReflectometry::loadMonitors(NeXus::NXEntry &entry) {
+ g_log.debug("Read monitor data...");
+ // vector of monitors with one entry
+ const std::vector<std::vector<int>> monitors{
+ loadSingleMonitor(entry, "monitor1/data"),
+ loadSingleMonitor(entry, "monitor2/data")};
+ return monitors;
+}
- m_wavelength = entry.getFloat("wavelength");
- double ei = m_loader.calculateEnergy(m_wavelength);
- m_localWorkspace->mutableRun().addProperty<double>("Ei", ei,
- true); // overwrite
+/**
+ * Determine x values (unit time-of-flight)
+ *
+ * @return :: vector holding the x values
+ */
+std::vector<double> LoadILLReflectometry::getXValues() {
+ std::vector<double> xVals; // no initialisation
+ xVals.reserve(m_numberOfChannels + 1); // reserve memory
+ try {
+ if (m_acqMode) {
+ std::string chopper{"Chopper"};
+ double chop1Speed{0.0}, chop2Speed{0.0}, chop2Phase{0.0};
+ if (m_instrumentName == "D17") {
+ chop1Speed = doubleFromRun("VirtualChopper.chopper1_speed_average");
+ chop2Speed = doubleFromRun("VirtualChopper.chopper2_speed_average");
+ chop2Phase = doubleFromRun("VirtualChopper.chopper2_phase_average");
+ }
+ // use phase of first chopper
+ double chop1Phase = doubleFromRun(m_chopper1Name + ".phase");
+ if (m_instrumentName == "Figaro" && chop1Phase > 360.0) {
+ // Chopper 1 phase on Figaro is set to an arbitrary value (999.9)
+ chop1Phase = 0.0;
+ }
+ const double POFF = doubleFromRun(m_offsetFrom + ".poff");
+ const double openOffset =
+ doubleFromRun(m_offsetFrom + "." + m_offsetName);
+ if (m_instrumentName == "D17" && chop1Speed != 0.0 && chop2Speed != 0.0 &&
+ chop2Phase != 0.0) {
+ // virtual chopper entries are valid
+ chopper = "Virtual chopper";
+ } else {
+ // use chopper values
+ chop1Speed = doubleFromRun(m_chopper1Name + ".rotation_speed");
+ chop2Speed = doubleFromRun(m_chopper2Name + ".rotation_speed");
+ chop2Phase = doubleFromRun(m_chopper2Name + ".phase");
+ }
+ // logging
+ g_log.debug() << "Poff: " << POFF << '\n';
+ g_log.debug() << "Open offset: " << openOffset << '\n';
+ g_log.debug() << "Chopper 1 phase: " << chop1Phase << '\n';
+ g_log.debug() << chopper << " 1 speed: " << chop1Speed << '\n';
+ g_log.debug() << chopper << " 2 phase: " << chop2Phase << '\n';
+ g_log.debug() << chopper << " 2 speed: " << chop2Speed << '\n';
+
+ if (chop1Speed <= 0.0) {
+ g_log.error() << "First chopper velocity " << chop1Speed
+ << ". Check you NeXus file.\n";
+ }
+ const double t_TOF2 =
+ m_tofDelay -
+ 1.e+6 * 60.0 * (POFF - 45.0 + chop2Phase - chop1Phase + openOffset) /
+ (2.0 * 360 * chop1Speed);
+ g_log.debug() << "t_TOF2: " << t_TOF2 << '\n';
+ // compute tof values
+ for (int channelIndex = 0;
+ channelIndex <= static_cast<int>(m_numberOfChannels);
+ ++channelIndex) {
+ const double t_TOF1 = (channelIndex + 0.5) * m_channelWidth;
+ xVals.push_back(t_TOF1 + t_TOF2);
+ }
+ } else {
+ g_log.debug("Time channel index for axis description \n");
+ for (size_t t = 0; t <= m_numberOfChannels; ++t)
+ xVals.push_back(double(t));
+ }
+ } catch (std::runtime_error &e) {
+ g_log.information() << "Unable to access NeXus file entry: " << e.what()
+ << '\n';
+ }
+ return xVals;
+}
- // read in the data
+/**
+ * Load data from nexus file
+ *
+ * @param entry :: The Nexus file entry
+ * @param monitorsData :: Monitors data already loaded
+ * @param xVals :: X values
+ */
+void LoadILLReflectometry::loadData(
+ NeXus::NXEntry &entry, const std::vector<std::vector<int>> &monitorsData,
+ const std::vector<double> &xVals) {
+ g_log.debug("Loading data...");
NXData dataGroup = entry.openNXData("data");
NXInt data = dataGroup.openIntData();
// load the counts from the file into memory
data.load();
-
- size_t spec = 0;
- size_t nb_monitors = monitorsData.size();
-
- Progress progress(this, 0.0, 1.0,
- m_numberOfTubes * m_numberOfPixelsPerTube + nb_monitors);
-
- // Assign tof values to first X axis
-
- // 1) Get some parameters from nexus file and properties
- // Note : This should be changed following future D17/ILL nexus file
- // improvement.
- const std::string propTOF0 = "monitor1.time_of_flight_0";
- auto tof_channel_width_prop = dynamic_cast<PropertyWithValue<double> *>(
- m_localWorkspace->run().getProperty(propTOF0));
- if (!tof_channel_width_prop)
- throw std::runtime_error("Could not cast (interpret) the property " +
- propTOF0 + " (channel width) as a floating point "
- "value.");
- m_channelWidth = *tof_channel_width_prop; /* PAR1[95] */
-
- const std::string propTOF2 = "monitor1.time_of_flight_2";
- auto tof_delay_prop = dynamic_cast<PropertyWithValue<double> *>(
- m_localWorkspace->run().getProperty(propTOF2));
- if (!tof_delay_prop)
- throw std::runtime_error("Could not cast (interpret) the property " +
- propTOF2 +
- " (ToF delay) as a floating point value.");
- double tof_delay = *tof_delay_prop; /* PAR1[96] */
-
- double POFF = entry.getFloat("instrument/VirtualChopper/poff"); /* par1[54] */
- double open_offset =
- entry.getFloat("instrument/VirtualChopper/open_offset"); /* par1[56] */
- double mean_chop_1_phase = 0.0;
- double mean_chop_2_phase = 0.0;
- // [30/09/14] Test on availability of VirtualChopper data
- double chop1_speed = entry.getFloat(
- "instrument/VirtualChopper/chopper1_speed_average"); /* PAR2[109] */
- if (chop1_speed != 0.0) {
- // Virtual Chopper entries are valid
-
- // double mean_chop_1_phase =
- // entry.getFloat("instrument/VirtualChopper/chopper1_phase_average"); /*
- // PAR2[110] */
- // this entry seems to be wrong for now, we use the old one instead [YR
- // 5/06/2014]
- mean_chop_1_phase = entry.getFloat("instrument/Chopper1/phase");
- mean_chop_2_phase = entry.getFloat(
- "instrument/VirtualChopper/chopper2_phase_average"); /* PAR2[114] */
-
- } else {
- // Use Chopper values instead
- chop1_speed =
- entry.getFloat("instrument/Chopper1/rotation_speed"); /* PAR2[109] */
-
- mean_chop_1_phase = entry.getFloat("instrument/Chopper1/phase");
- mean_chop_2_phase = entry.getFloat("instrument/Chopper2/phase");
- }
-
- g_log.debug() << "m_numberOfChannels: " << m_numberOfChannels << '\n';
- g_log.debug() << "m_channelWidth: " << m_channelWidth << '\n';
- g_log.debug() << "tof_delay: " << tof_delay << '\n';
- g_log.debug() << "POFF: " << POFF << '\n';
- g_log.debug() << "open_offset: " << open_offset << '\n';
- g_log.debug() << "mean_chop_2_phase: " << mean_chop_2_phase << '\n';
- g_log.debug() << "mean_chop_1_phase: " << mean_chop_1_phase << '\n';
- g_log.debug() << "chop1_speed: " << chop1_speed << '\n';
-
- double t_TOF2 = 0.0;
- if (chop1_speed == 0.0) {
- g_log.debug() << "Warning: chop1_speed is null.\n";
- // stay with t_TOF2 to O.0
- } else {
- // Thanks to Miguel Gonzales/ILL for this TOF formula
- t_TOF2 = -1.e6 * 60.0 * (POFF - 45.0 + mean_chop_2_phase -
- mean_chop_1_phase + open_offset) /
- (2.0 * 360 * chop1_speed);
- }
- g_log.debug() << "t_TOF2: " << t_TOF2 << '\n';
-
- std::vector<double> tofVals;
- tofVals.reserve(m_localWorkspace->x(0).size());
-
- // 2) Compute tof values
- for (size_t timechannelnumber = 0; timechannelnumber <= m_numberOfChannels;
- ++timechannelnumber) {
- double t_TOF1 =
- (static_cast<int>(timechannelnumber) + 0.5) * m_channelWidth +
- tof_delay;
- tofVals.push_back(t_TOF1 + t_TOF2);
- }
-
- HistogramData::BinEdges binEdges(tofVals);
-
- // Load monitors
- for (size_t im = 0; im < nb_monitors; im++) {
- int *monitor_p = monitorsData[im].data();
- const HistogramData::Counts histoCounts(monitor_p,
- monitor_p + m_numberOfChannels);
- const HistogramData::CountStandardDeviations histoBlankError(
- monitorsData[im].size(), 0.0);
- m_localWorkspace->setHistogram(im, binEdges, std::move(histoCounts),
- std::move(histoBlankError));
-
- progress.report();
- }
-
- for (size_t i = 0; i < m_numberOfTubes; ++i) {
- for (size_t j = 0; j < m_numberOfPixelsPerTube; ++j) {
- int *data_p = &data(static_cast<int>(i), static_cast<int>(j), 0);
- const HistogramData::Counts histoCounts(data_p,
- data_p + m_numberOfChannels);
- m_localWorkspace->setHistogram((spec + nb_monitors), binEdges,
- std::move(histoCounts));
- ++spec;
+ const size_t nb_monitors = monitorsData.size();
+ Progress progress(this, 0, 1, m_numberOfHistograms + nb_monitors);
+
+ // write monitors
+ if (!xVals.empty()) {
+ HistogramData::BinEdges binEdges(xVals);
+ // write data
+ for (size_t j = 0; j < m_numberOfHistograms; ++j) {
+ const int *data_p = &data(0, static_cast<int>(j), 0);
+ const HistogramData::Counts counts(data_p, data_p + m_numberOfChannels);
+ m_localWorkspace->setHistogram(j, binEdges, std::move(counts));
progress.report();
+ for (size_t im = 0; im < nb_monitors; ++im) {
+ const int *monitor_p = monitorsData[im].data();
+ const HistogramData::Counts counts(monitor_p,
+ monitor_p + m_numberOfChannels);
+ m_localWorkspace->setHistogram(im + m_numberOfHistograms, binEdges,
+ std::move(counts));
+ progress.report();
+ }
}
- }
-
-} // LoadILLIndirect::loadDataIntoTheWorkSpace
+ } else
+ g_log.debug("Vector of x values is empty");
+} // LoadILLIndirect::loadData
/**
* Use the LoadHelper utility to load most of the nexus entries into workspace
- * log properties
+ * sample log properties
*/
-void LoadILLReflectometry::loadNexusEntriesIntoProperties(
- std::string nexusfilename) {
-
- API::Run &runDetails = m_localWorkspace->mutableRun();
-
+void LoadILLReflectometry::loadNexusEntriesIntoProperties() {
+ g_log.debug("Building properties...");
// Open NeXus file
+ const std::string filename{getPropertyValue("Filename")};
NXhandle nxfileID;
- NXstatus stat = NXopen(nexusfilename.c_str(), NXACC_READ, &nxfileID);
- if (stat == NX_ERROR) {
- g_log.debug() << "convertNexusToProperties: Error loading "
- << nexusfilename;
- throw Kernel::Exception::FileError("Unable to open File:", nexusfilename);
- }
- m_loader.addNexusFieldsToWsRun(nxfileID, runDetails);
-
- // Add also "Facility", as asked
- runDetails.addProperty("Facility", std::string("ILL"));
-
+ NXstatus stat = NXopen(filename.c_str(), NXACC_READ, &nxfileID);
+ if (stat == NX_ERROR)
+ throw Kernel::Exception::FileError("Unable to open File:", filename);
+ m_loader.addNexusFieldsToWsRun(nxfileID, m_localWorkspace->mutableRun());
stat = NXclose(&nxfileID);
}
/**
- * Utility to center detector.
- */
-void LoadILLReflectometry::centerDetector(double xCenter) {
+ * Gaussian fit to determine peak position.
+ *
+ * @return :: detector position of the peak: Gaussian fit and position
+ * of the maximum (serves as start value for the optimization)
+ */
+std::pair<double, double> LoadILLReflectometry::fitReflectometryPeak() {
+ size_t startIndex;
+ size_t endIndex;
+ std::tie(startIndex, endIndex) =
+ fitIntegrationWSIndexRange(*m_localWorkspace);
+ IAlgorithm_sptr integration = createChildAlgorithm("Integration");
+ integration->initialize();
+ integration->setProperty("InputWorkspace", m_localWorkspace);
+ integration->setProperty("OutputWorkspace", "__unused_for_child");
+ integration->setProperty("StartWorkspaceIndex", static_cast<int>(startIndex));
+ integration->setProperty("EndWorkspaceIndex", static_cast<int>(endIndex));
+ integration->execute();
+ MatrixWorkspace_sptr integralWS = integration->getProperty("OutputWorkspace");
+ IAlgorithm_sptr transpose = createChildAlgorithm("Transpose");
+ transpose->initialize();
+ transpose->setProperty("InputWorkspace", integralWS);
+ transpose->setProperty("OutputWorkspace", "__unused_for_child");
+ transpose->execute();
+ integralWS = transpose->getProperty("OutputWorkspace");
+ rebinIntegralWorkspace(*integralWS);
+ // determine initial height: maximum value
+ const auto maxValueIt =
+ std::max_element(integralWS->y(0).cbegin(), integralWS->y(0).cend());
+ const double height = *maxValueIt;
+ // determine initial centre: index of the maximum value
+ const size_t maxIndex = std::distance(integralWS->y(0).cbegin(), maxValueIt);
+ const double centreByMax = static_cast<double>(maxIndex);
+ g_log.debug() << "Peak maximum position: " << centreByMax << '\n';
+ // determine sigma
+ auto lessThanHalfMax = [height](const double x) { return x < 0.5 * height; };
+ using IterType = HistogramData::HistogramY::const_iterator;
+ std::reverse_iterator<IterType> revMaxValueIt{maxValueIt};
+ auto revMinFwhmIt =
+ std::find_if(revMaxValueIt, integralWS->y(0).crend(), lessThanHalfMax);
+ auto maxFwhmIt =
+ std::find_if(maxValueIt, integralWS->y(0).cend(), lessThanHalfMax);
+ std::reverse_iterator<IterType> revMaxFwhmIt{maxFwhmIt};
+ const double fwhm =
+ static_cast<double>(std::distance(revMaxFwhmIt, revMinFwhmIt) + 1);
+ g_log.debug() << "Initial fwhm (fixed window at half maximum): " << fwhm
+ << '\n';
+ // generate Gaussian
+ auto func = API::FunctionFactory::Instance().createFunction("Gaussian");
+ auto initialGaussian = boost::dynamic_pointer_cast<API::IPeakFunction>(func);
+ initialGaussian->setHeight(height);
+ initialGaussian->setCentre(centreByMax);
+ initialGaussian->setFwhm(fwhm);
+ // call Fit child algorithm
+ API::IAlgorithm_sptr fitGaussian = createChildAlgorithm("Fit");
+ fitGaussian->initialize();
+ fitGaussian->setProperty(
+ "Function", boost::dynamic_pointer_cast<API::IFunction>(initialGaussian));
+ fitGaussian->setProperty("InputWorkspace", integralWS);
+ bool success = fitGaussian->execute();
+ if (!success)
+ g_log.warning("Fit not successful, using initial values.\n");
+ else
+ g_log.debug() << "Sigma: " << initialGaussian->fwhm() << '\n';
+ const double centreByFit = success ? initialGaussian->centre() : centreByMax;
+ g_log.debug() << "Estimated peak position: " << centreByFit << '\n';
+ return std::pair<double, double>{centreByFit, centreByMax};
+}
- std::string componentName("uniq_detector");
- V3D pos = m_loader.getComponentPosition(m_localWorkspace, componentName);
- // TODO confirm!
- pos.setX(pos.X() - xCenter);
- m_loader.moveComponent(m_localWorkspace, componentName, pos);
+/// Compute Bragg angle
+double LoadILLReflectometry::computeBraggAngle() {
+ const double userAngle = getProperty("BraggAngle");
+ if (userAngle != EMPTY_DBL()) {
+ return userAngle;
+ }
+ // the reflected beam
+ double reflectedCentre;
+ double reflectedMaxPosition;
+ std::tie(reflectedCentre, reflectedMaxPosition) = fitReflectometryPeak();
+ if (!getPointerToProperty("OutputBeamPosition")->isDefault()) {
+ DirectBeamMeasurement m;
+ m.detectorAngle = doubleFromRun(m_detectorAngleName);
+ m.detectorDistance = sampleDetectorDistance();
+ m.fittedPeakCentre = reflectedCentre;
+ m.positionOfMaximum = reflectedMaxPosition;
+ setProperty("OutputBeamPosition", createBeamPositionTable(m));
+ }
+ double angleBragg;
+ ITableWorkspace_const_sptr posTable = getProperty("BeamPosition");
+ if (!posTable) {
+ angleBragg = doubleFromRun(m_detectorAngleName);
+ } else {
+ const double detAngle = doubleFromRun(m_detectorAngleName);
+ g_log.debug() << "Using detector angle (degrees) " << m_detectorAngleName
+ << ": " << detAngle << '\n';
+ const auto directBeamMeasurement = parseBeamPositionTable(*posTable);
+ const double dbOffset =
+ (m_pixelCentre - directBeamMeasurement.fittedPeakCentre) * m_pixelWidth;
+ const double dbOffsetAngle =
+ inDeg(std::atan2(dbOffset, directBeamMeasurement.detectorDistance));
+ const double refOffset = (m_pixelCentre - reflectedCentre) * m_pixelWidth;
+ const double refOffsetAngle =
+ inDeg(std::atan2(refOffset, m_detectorDistanceValue));
+ const double virtualDetAngle = detAngle -
+ directBeamMeasurement.detectorAngle -
+ 2 * dbOffsetAngle + refOffsetAngle;
+ angleBragg = virtualDetAngle;
+ }
+ g_log.debug() << "Bragg angle " << angleBragg << " degrees.\n";
+ return angleBragg;
}
-/**
- * Utility to place detector in space, according to data file
- */
-void LoadILLReflectometry::placeDetector(double distance /* meter */,
- double angle /* degree */) {
- const double deg2rad = M_PI / 180.0;
- std::string componentName("uniq_detector");
- V3D pos = m_loader.getComponentPosition(m_localWorkspace, componentName);
- // double r, theta, phi;
- // pos.getSpherical(r, theta, phi);
-
- double angle_rad = angle * deg2rad;
- V3D newpos(distance * sin(angle_rad), pos.Y(), distance * cos(angle_rad));
+/// Update detector position according to data file
+void LoadILLReflectometry::placeDetector() {
+ g_log.debug("Move the detector bank \n");
+ double dist = doubleFromRun(m_detectorDistance + ".value");
+ m_detectorDistanceValue = inMeter(dist);
+ // TODO offset_value cannot be used like this for Figaro.
+ if (m_instrumentName == "Figaro")
+ dist += doubleFromRun(m_detectorDistance + ".offset_value");
+ g_log.debug() << "Sample-detector distance: " << m_detectorDistanceValue
+ << "m.\n";
+ const double theta = computeBraggAngle();
+ // incident angle for using the algorithm ConvertToReflectometryQ
+ // TODO Doesn't seem to work with ConvertToReflectometryQ. Maybe they
+ // expect a time series?
+ // TODO They are moving to 2theta in ISIS reflectometry algorithms.
+ m_localWorkspace->mutableRun().addProperty("stheta", inRad(theta) / 2);
+ const std::string componentName = "detector";
+ const RotationPlane rotPlane = [this]() {
+ if (m_instrumentName == "D17")
+ return RotationPlane::horizontal;
+ else if (m_instrumentName == "Figaro")
+ return RotationPlane::vertical;
+ else
+ return RotationPlane::horizontal;
+ }();
+ const auto newpos =
+ detectorPosition(rotPlane, m_detectorDistanceValue, theta);
m_loader.moveComponent(m_localWorkspace, componentName, newpos);
-
- // Apply a local rotation to stay perpendicular to the beam
- const V3D axis(0.0, 1.0, 0.0);
- Quat rotation(angle, axis);
+ // apply a local rotation to stay perpendicular to the beam
+ const auto rotation = detectorFaceRotation(rotPlane, theta);
m_loader.rotateComponent(m_localWorkspace, componentName, rotation);
}
+
+/// Update source position.
+void LoadILLReflectometry::placeSource() {
+ const double dist = sourceSampleDistance();
+ g_log.debug() << "Source-sample distance " << dist << "m.\n";
+ const std::string source = "chopper1";
+ const V3D newPos{0.0, 0.0, -dist};
+ m_loader.moveComponent(m_localWorkspace, source, newPos);
+}
+
+/** Return the sample to detector distance for the current instrument.
+ * @return the sample to detector distance in meters
+ */
+double LoadILLReflectometry::sampleDetectorDistance() const {
+ // TODO This is incorrect for Figaro.
+ double dist = inMeter(doubleFromRun(m_detectorDistance + ".value"));
+ if (m_instrumentName == "Figaro")
+ dist -= inMeter(doubleFromRun(m_detectorDistance + ".offset_value"));
+ return dist;
+}
+
+/** Return the source to sample distance for the current instrument.
+ * @return the source to sample distance in meters
+ */
+double LoadILLReflectometry::sourceSampleDistance() const {
+ if (m_instrumentName == "D17") {
+ const double pairCentre = doubleFromRun("VirtualChopper.dist_chop_samp");
+ // Chopper pair separation is in cm in sample logs.
+ const double pairSeparation = doubleFromRun("Distance.ChopperGap") / 100;
+ return pairCentre - 0.5 * pairSeparation;
+ } else if (m_instrumentName == "Figaro") {
+ return inMeter(doubleFromRun("ChopperSetting.chopperpair_sample_distance"));
+ }
+ std::ostringstream out;
+ out << "sourceSampleDistance: unknown instrument " << m_instrumentName;
+ throw std::runtime_error(out.str());
+}
+
} // namespace DataHandling
} // namespace Mantid
diff --git a/Framework/DataHandling/src/LoadILLSANS.cpp b/Framework/DataHandling/src/LoadILLSANS.cpp
index 4e04e099d398ab98adc552eb294f460eb6c5f790..b9c0d3667cb8c838b019b135c8574639b6e48914 100644
--- a/Framework/DataHandling/src/LoadILLSANS.cpp
+++ b/Framework/DataHandling/src/LoadILLSANS.cpp
@@ -107,7 +107,7 @@ void LoadILLSANS::exec() {
void LoadILLSANS::setInstrumentName(const NeXus::NXEntry &firstEntry,
const std::string &instrumentNamePath) {
- if (instrumentNamePath == "") {
+ if (instrumentNamePath.empty()) {
std::string message("Cannot set the instrument name from the Nexus file!");
g_log.error(message);
throw std::runtime_error(message);
diff --git a/Framework/DataHandling/src/LoadILLTOF2.cpp b/Framework/DataHandling/src/LoadILLTOF2.cpp
index 50f76c1d0245aa0fb47e150412614312bc4f9e88..9cc3f2e0a7070bf0101ccfd29655e4acf10c3899 100644
--- a/Framework/DataHandling/src/LoadILLTOF2.cpp
+++ b/Framework/DataHandling/src/LoadILLTOF2.cpp
@@ -144,7 +144,7 @@ void LoadILLTOF2::loadInstrumentDetails(NeXus::NXEntry &firstEntry) {
m_instrumentPath = m_loader.findInstrumentNexusPath(firstEntry);
- if (m_instrumentPath == "") {
+ if (m_instrumentPath.empty()) {
throw std::runtime_error(
"Cannot set the instrument name from the Nexus file!");
}
diff --git a/Framework/DataHandling/src/LoadIsawDetCal.cpp b/Framework/DataHandling/src/LoadIsawDetCal.cpp
index f2a479594d1dc83a2400d48665e0a06a681d3210..54638a6518b1b4a2d2dfae8e931dea9cc74fb345 100644
--- a/Framework/DataHandling/src/LoadIsawDetCal.cpp
+++ b/Framework/DataHandling/src/LoadIsawDetCal.cpp
@@ -92,7 +92,7 @@ std::map<std::string, std::string> LoadIsawDetCal::validateInputs() {
// two detcal files is only valid for snap
std::vector<std::string> filenames = getFilenames();
- if (filenames.size() == 0) {
+ if (filenames.empty()) {
result["Filename"] = "Must supply .detcal file";
} else if (filenames.size() == 2) {
Workspace_const_sptr wksp = getProperty("InputWorkspace");
diff --git a/Framework/DataHandling/src/LoadLLB.cpp b/Framework/DataHandling/src/LoadLLB.cpp
index 83f047c87824f9ae25676b5a12dfb0baa1543b7b..6599483496a88d39b8bb412576b4539f2a9a867b 100644
--- a/Framework/DataHandling/src/LoadLLB.cpp
+++ b/Framework/DataHandling/src/LoadLLB.cpp
@@ -104,7 +104,7 @@ void LoadLLB::setInstrumentName(NeXus::NXEntry &entry) {
m_instrumentName =
m_loader.getStringFromNexusPath(entry, m_instrumentPath + "/name");
- if (m_instrumentName == "") {
+ if (m_instrumentName.empty()) {
throw std::runtime_error(
"Cannot read the instrument name from the Nexus file!");
}
diff --git a/Framework/DataHandling/src/LoadMLZ.cpp b/Framework/DataHandling/src/LoadMLZ.cpp
index 1ad5df0508499856145ab39f86435dfc5956a9cf..23159b7e7906fa1d292d109799748df2adcff780 100644
--- a/Framework/DataHandling/src/LoadMLZ.cpp
+++ b/Framework/DataHandling/src/LoadMLZ.cpp
@@ -149,7 +149,7 @@ void LoadMLZ::loadInstrumentDetails(NeXus::NXEntry &firstEntry) {
m_instrumentPath = m_mlzloader.findInstrumentNexusPath(firstEntry);
- if (m_instrumentPath == "") {
+ if (m_instrumentPath.empty()) {
throw std::runtime_error(
"Cannot set the instrument name from the Nexus file!");
}
diff --git a/Framework/DataHandling/src/LoadSINQFocus.cpp b/Framework/DataHandling/src/LoadSINQFocus.cpp
index d7a6a56b7bae9efbc38ec8c7c1bf29f8e529b04b..3494437cfa328e6b800cd8cdf2bdc7615a251e3f 100644
--- a/Framework/DataHandling/src/LoadSINQFocus.cpp
+++ b/Framework/DataHandling/src/LoadSINQFocus.cpp
@@ -112,7 +112,7 @@ void LoadSINQFocus::setInstrumentName(NeXus::NXEntry &entry) {
m_instrumentPath = m_loader.findInstrumentNexusPath(entry);
- if (m_instrumentPath == "") {
+ if (m_instrumentPath.empty()) {
throw std::runtime_error(
"Cannot set the instrument name from the Nexus file!");
}
diff --git a/Framework/DataHandling/src/LoadSassena.cpp b/Framework/DataHandling/src/LoadSassena.cpp
index 3713595548fa142b7461364372b931ab719b8f00..ba2054ea9fd5b72345ba5ad38a7d7abaf6aa8ebc 100644
--- a/Framework/DataHandling/src/LoadSassena.cpp
+++ b/Framework/DataHandling/src/LoadSassena.cpp
@@ -136,6 +136,7 @@ LoadSassena::loadQvectors(const hid_t &h5file, API::WorkspaceGroup_sptr gws,
if (getProperty("SortByQVectors")) {
std::vector<mypair> qvmodpair;
+ qvmodpair.reserve(nq);
for (int iq = 0; iq < nq; iq++)
qvmodpair.emplace_back(qvmod[iq], iq);
std::sort(qvmodpair.begin(), qvmodpair.end(), compare);
diff --git a/Framework/DataHandling/src/LoadSpice2D.cpp b/Framework/DataHandling/src/LoadSpice2D.cpp
index c6a47228130e52fe6c0781238a51dbfcd691786c..04096230e33114217af96c9348b82ed5c73dd46e 100644
--- a/Framework/DataHandling/src/LoadSpice2D.cpp
+++ b/Framework/DataHandling/src/LoadSpice2D.cpp
@@ -468,6 +468,7 @@ void LoadSpice2D::setBeamTrapRunProperty(
// store trap diameters in use
std::vector<double> trapDiametersInUse;
+ trapDiametersInUse.reserve(trapIndexInUse.size());
for (auto index : trapIndexInUse) {
trapDiametersInUse.push_back(trapDiameters[index]);
}
diff --git a/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp b/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
index eb82237827233b88a0bdd756785990ad0460ec80..f8eda027c8d1960e700628c4e700621d8d0eb0f5 100644
--- a/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
+++ b/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
@@ -231,7 +231,7 @@ void LoadSpiceXML2DDet::processInputs() {
if (vec_pixelgeom.size() == 2) {
m_numPixelX = vec_pixelgeom[0];
m_numPixelY = vec_pixelgeom[1];
- } else if (vec_pixelgeom.size() == 0) {
+ } else if (vec_pixelgeom.empty()) {
m_numPixelX = 0;
m_numPixelY = 0;
} else {
@@ -714,7 +714,7 @@ LoadSpiceXML2DDet::parseDetectorNode(const std::string &detvaluestr,
size_t num_empty_line = 0;
size_t num_weird_line = 0;
for (size_t iline = 0; iline < vecLines.size(); ++iline) {
- if (vecLines[iline].size() == 0)
+ if (vecLines[iline].empty())
++num_empty_line;
else if (vecLines[iline].size() < 100)
++num_weird_line;
diff --git a/Framework/DataHandling/src/LoadTBL.cpp b/Framework/DataHandling/src/LoadTBL.cpp
index 1eeaff23a342af8e5aa0729defd686fe1bccbe2f..b5ab7f31e6329b39b45803ba8f5642188566c3ec 100644
--- a/Framework/DataHandling/src/LoadTBL.cpp
+++ b/Framework/DataHandling/src/LoadTBL.cpp
@@ -342,7 +342,7 @@ void LoadTBL::exec() {
std::string line;
int stitchID = 1;
while (Kernel::Strings::extractToEOL(file, line)) {
- if (line == "" || line == ",,,,,,,,,,,,,,,,") {
+ if (line.empty() || line == ",,,,,,,,,,,,,,,,") {
continue;
}
getCells(line, rowVec, 16, isOld);
@@ -351,8 +351,8 @@ void LoadTBL::exec() {
// check if the first run in the row has any data associated with it
// 0 = runs, 1 = theta, 2 = trans, 3 = qmin, 4 = qmax
- if (rowVec[0] != "" || rowVec[1] != "" || rowVec[2] != "" ||
- rowVec[3] != "" || rowVec[4] != "") {
+ if (!rowVec[0].empty() || !rowVec[1].empty() || !rowVec[2].empty() ||
+ !rowVec[3].empty() || !rowVec[4].empty()) {
TableRow row = ws->appendRow();
row << stitchStr;
for (int i = 0; i < 5; ++i) {
@@ -364,8 +364,8 @@ void LoadTBL::exec() {
// check if the second run in the row has any data associated with it
// 5 = runs, 6 = theta, 7 = trans, 8 = qmin, 9 = qmax
- if (rowVec[5] != "" || rowVec[6] != "" || rowVec[7] != "" ||
- rowVec[8] != "" || rowVec[9] != "") {
+ if (!rowVec[5].empty() || !rowVec[6].empty() || !rowVec[7].empty() ||
+ !rowVec[8].empty() || !rowVec[9].empty()) {
TableRow row = ws->appendRow();
row << stitchStr;
for (int i = 5; i < 10; ++i) {
@@ -377,8 +377,8 @@ void LoadTBL::exec() {
// check if the third run in the row has any data associated with it
// 10 = runs, 11 = theta, 12 = trans, 13 = qmin, 14 = qmax
- if (rowVec[10] != "" || rowVec[11] != "" || rowVec[12] != "" ||
- rowVec[13] != "" || rowVec[14] != "") {
+ if (!rowVec[10].empty() || !rowVec[11].empty() || !rowVec[12].empty() ||
+ !rowVec[13].empty() || !rowVec[14].empty()) {
TableRow row = ws->appendRow();
row << stitchStr;
for (int i = 10; i < 17; ++i) {
@@ -413,7 +413,7 @@ void LoadTBL::exec() {
}
size_t expectedCommas = columnHeadings.size() - 1;
while (Kernel::Strings::extractToEOL(file, line)) {
- if (line == "" || line == ",,,,,,,,,,,,,,,,") {
+ if (line.empty() || line == ",,,,,,,,,,,,,,,,") {
// skip over any empty lines
continue;
}
diff --git a/Framework/DataHandling/src/LoadVulcanCalFile.cpp b/Framework/DataHandling/src/LoadVulcanCalFile.cpp
index 22edbecb74ff42170dcfbb75a4663fb1cefe14bf..9dc5df558e33082ac7063436d43ab021f3a81e42 100644
--- a/Framework/DataHandling/src/LoadVulcanCalFile.cpp
+++ b/Framework/DataHandling/src/LoadVulcanCalFile.cpp
@@ -26,8 +26,6 @@ using namespace Mantid::Kernel;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
-using namespace std;
-
namespace Mantid {
namespace DataHandling {
// Register the algorithm into the AlgorithmFactory
@@ -47,11 +45,11 @@ void LoadVulcanCalFile::init() {
FileProperty::Load, ".dat"),
"Path to the VULCAN offset file. ");
- vector<string> groupoptions{"6Modules", "2Banks", "1Bank"};
+ std::array<std::string, 3> groupoptions = {{"6Modules", "2Banks", "1Bank"}};
declareProperty(
"Grouping", "6Modules",
- boost::make_shared<ListValidator<string>>(groupoptions),
+ boost::make_shared<ListValidator<std::string>>(groupoptions),
"Choices to output group workspace for 1 bank, 2 banks or 6 modules. ");
declareProperty(Kernel::make_unique<FileProperty>("BadPixelFilename", "",
@@ -114,7 +112,7 @@ void LoadVulcanCalFile::processInOutProperites() {
m_offsetFilename = getPropertyValue("OffsetFilename");
m_badPixFilename = getPropertyValue("BadPixelFilename");
- string WorkspaceName = getPropertyValue("WorkspaceName");
+ std::string WorkspaceName = getPropertyValue("WorkspaceName");
if (WorkspaceName.empty())
throw std::invalid_argument("Must specify WorkspaceName.");
@@ -122,7 +120,7 @@ void LoadVulcanCalFile::processInOutProperites() {
m_instrument = getInstrument();
// Grouping
- string grouptypestr = getPropertyValue("Grouping");
+ std::string grouptypestr = getPropertyValue("Grouping");
size_t numeffbanks = 6;
if (grouptypestr == "6Modules") {
m_groupingType = VULCAN_OFFSET_BANK;
@@ -131,15 +129,15 @@ void LoadVulcanCalFile::processInOutProperites() {
} else if (grouptypestr == "1Bank") {
m_groupingType = VULCAN_OFFSET_STACK;
} else {
- stringstream ess;
+ std::stringstream ess;
ess << "Group type " << grouptypestr << " is not supported. ";
- throw runtime_error(ess.str());
+ throw std::runtime_error(ess.str());
}
// Effective L and 2thetas
- vector<int> vec_bankids = getProperty("BankIDs");
- vector<double> vec_difcs = getProperty("EffectiveDIFCs");
- vector<double> vec_2thetas = getProperty("Effective2Thetas");
+ std::vector<int> vec_bankids = getProperty("BankIDs");
+ std::vector<double> vec_difcs = getProperty("EffectiveDIFCs");
+ std::vector<double> vec_2thetas = getProperty("Effective2Thetas");
if (vec_bankids.size() != numeffbanks || vec_difcs.size() != numeffbanks ||
vec_2thetas.size() != numeffbanks) {
std::stringstream ess;
@@ -147,7 +145,7 @@ void LoadVulcanCalFile::processInOutProperites() {
<< "), EffectiveDIFCs (" << vec_difcs.size()
<< ") and Effective2Thetas (" << vec_2thetas.size() << ") must be "
<< numeffbanks << " in mode '" << grouptypestr << "'! ";
- throw runtime_error(ess.str());
+ throw std::runtime_error(ess.str());
}
for (size_t i = 0; i < numeffbanks; ++i) {
@@ -156,7 +154,7 @@ void LoadVulcanCalFile::processInOutProperites() {
double theta = 0.5 * vec_2thetas[i];
double effl = difc / (252.777 * 2.0 * sin(theta / 180. * M_PI));
- m_effLTheta.emplace(bankid, make_pair(effl, theta));
+ m_effLTheta.emplace(bankid, std::make_pair(effl, theta));
}
// Create offset workspace
@@ -206,7 +204,7 @@ void LoadVulcanCalFile::processInOutProperites() {
*/
void LoadVulcanCalFile::setupGroupingWorkspace() {
// Get the right group option for CreateGroupingWorkspace
- string groupdetby;
+ std::string groupdetby;
switch (m_groupingType) {
case VULCAN_OFFSET_BANK:
groupdetby = "bank";
@@ -221,7 +219,7 @@ void LoadVulcanCalFile::setupGroupingWorkspace() {
break;
default:
- throw runtime_error("Grouping type is not supported. ");
+ throw std::runtime_error("Grouping type is not supported. ");
break;
}
@@ -235,7 +233,7 @@ void LoadVulcanCalFile::setupGroupingWorkspace() {
creategroupws->execute();
if (!creategroupws->isExecuted())
- throw runtime_error("Unable to create grouping workspace.");
+ throw std::runtime_error("Unable to create grouping workspace.");
m_groupWS = creategroupws->getProperty("OutputWorkspace");
@@ -243,7 +241,7 @@ void LoadVulcanCalFile::setupGroupingWorkspace() {
m_groupWS->setTitle(groupdetby);
// Output
- string WorkspaceName = getPropertyValue("WorkspaceName");
+ std::string WorkspaceName = getPropertyValue("WorkspaceName");
declareProperty(Kernel::make_unique<WorkspaceProperty<GroupingWorkspace>>(
"OutputGroupingWorkspace", WorkspaceName + "_group",
Direction::Output),
@@ -267,12 +265,12 @@ void LoadVulcanCalFile::setupMaskWorkspace() {
return;
}
- string line;
+ std::string line;
while (std::getline(maskss, line)) {
boost::algorithm::trim(line);
if (!line.empty()) {
// Get the bad pixel's detector ID. One per line
- stringstream liness(line);
+ std::stringstream liness(line);
try {
int pixelid;
liness >> pixelid;
@@ -306,7 +304,7 @@ void LoadVulcanCalFile::setupMaskWorkspace() {
/** Generate offset workspace
*/
void LoadVulcanCalFile::generateOffsetsWorkspace() {
- map<detid_t, double> map_detoffset;
+ std::map<detid_t, double> map_detoffset;
// Read offset file
readOffsetFile(map_detoffset);
@@ -327,14 +325,14 @@ void LoadVulcanCalFile::generateOffsetsWorkspace() {
void LoadVulcanCalFile::readOffsetFile(
std::map<detid_t, double> &map_detoffset) {
// Read file
- ifstream infile(m_offsetFilename.c_str());
+ std::ifstream infile(m_offsetFilename.c_str());
if (!infile.is_open()) {
- stringstream errss;
+ std::stringstream errss;
errss << "Input offset file " << m_offsetFilename << " cannot be opened.";
- throw runtime_error(errss.str());
+ throw std::runtime_error(errss.str());
}
- string line;
+ std::string line;
while (std::getline(infile, line)) {
std::istringstream iss(line);
int pid;
@@ -356,7 +354,7 @@ void LoadVulcanCalFile::processOffsets(
const auto &spectrumInfo = m_tofOffsetsWS->spectrumInfo();
// Map from Mantid instrument to VULCAN offset
- map<detid_t, size_t> map_det2index;
+ std::map<detid_t, size_t> map_det2index;
for (size_t i = 0; i < numspec; ++i) {
detid_t tmpid = spectrumInfo.detector(i).getID();
@@ -366,34 +364,34 @@ void LoadVulcanCalFile::processOffsets(
// Map from VULCAN offset to Mantid instrument: Validate
std::set<int> set_bankID;
- map<detid_t, pair<bool, int>>
+ std::map<detid_t, std::pair<bool, int>>
map_verify; // key: detector ID, value: flag to have a match, bank ID
for (auto &miter : map_detoffset) {
detid_t pid = miter.first;
auto fiter = map_det2index.find(pid);
if (fiter == map_det2index.end()) {
- map_verify.emplace(pid, make_pair(false, -1));
+ map_verify.emplace(pid, std::make_pair(false, -1));
} else {
size_t wsindex = fiter->second;
// Get bank ID from instrument tree
const auto &det = spectrumInfo.detector(wsindex);
Geometry::IComponent_const_sptr parent = det.getParent();
- string pname = parent->getName();
+ std::string pname = parent->getName();
- vector<string> terms;
+ std::vector<std::string> terms;
boost::split(terms, pname, boost::is_any_of("("));
- vector<string> terms2;
+ std::vector<std::string> terms2;
boost::split(terms2, terms[0], boost::is_any_of("bank"));
int bank = std::stoi(terms2.back());
set_bankID.insert(bank);
- map_verify.emplace(pid, make_pair(true, bank));
+ map_verify.emplace(pid, std::make_pair(true, bank));
}
}
// Verify
static const size_t arr[] = {21, 22, 23, 26, 27, 28};
- vector<size_t> vec_banks(arr, arr + sizeof(arr) / sizeof(arr[0]));
+ std::vector<size_t> vec_banks(arr, arr + sizeof(arr) / sizeof(arr[0]));
for (auto bankindex : vec_banks) {
for (size_t j = 0; j < NUMBERDETECTORPERMODULE; ++j) {
@@ -401,21 +399,21 @@ void LoadVulcanCalFile::processOffsets(
static_cast<detid_t>(bankindex * NUMBERRESERVEDPERMODULE + j);
auto miter = map_verify.find(detindex);
if (miter == map_verify.end())
- throw runtime_error("It cannot happen!");
+ throw std::runtime_error("It cannot happen!");
bool exist = miter->second.first;
int tmpbank = miter->second.second;
if (!exist)
- throw runtime_error(
+ throw std::runtime_error(
"Define VULCAN offset pixel is not defined in Mantid.");
if (tmpbank != static_cast<int>(bankindex))
- throw runtime_error("Bank ID does not match!");
+ throw std::runtime_error("Bank ID does not match!");
}
}
// Get the global correction
g_log.information() << "Number of bankds to process = " << set_bankID.size()
<< "\n";
- map<int, double> map_bankLogCorr;
+ std::map<int, double> map_bankLogCorr;
for (const auto bankid : set_bankID) {
// Locate inter bank and inter pack correction (log)
double globalfactor = 0.;
@@ -430,7 +428,7 @@ void LoadVulcanCalFile::processOffsets(
const auto offsetiter = map_detoffset.find(interbank_detid);
if (offsetiter == map_detoffset.end())
- throw runtime_error("It cannot happen!");
+ throw std::runtime_error("It cannot happen!");
double interbanklogcorr = offsetiter->second;
globalfactor += interbanklogcorr;
@@ -445,7 +443,7 @@ void LoadVulcanCalFile::processOffsets(
static_cast<detid_t>((bankid + 1) * NUMBERRESERVEDPERMODULE) - 1;
const auto offsetiter = map_detoffset.find(intermodule_detid);
if (offsetiter == map_detoffset.end())
- throw runtime_error("It cannot happen!");
+ throw std::runtime_error("It cannot happen!");
double intermodulelogcorr = offsetiter->second;
globalfactor += intermodulelogcorr;
@@ -455,19 +453,19 @@ void LoadVulcanCalFile::processOffsets(
}
// Calcualte the offset for each detector (log now still)
- map<detid_t, double>::iterator offsetiter;
- map<int, double>::iterator bankcorriter;
+ std::map<detid_t, double>::iterator offsetiter;
+ std::map<int, double>::iterator bankcorriter;
for (size_t iws = 0; iws < numspec; ++iws) {
detid_t detid = spectrumInfo.detector(iws).getID();
offsetiter = map_detoffset.find(detid);
if (offsetiter == map_detoffset.end())
- throw runtime_error("It cannot happen!");
+ throw std::runtime_error("It cannot happen!");
int bankid =
static_cast<int>(detid) / static_cast<int>(NUMBERRESERVEDPERMODULE);
bankcorriter = map_bankLogCorr.find(bankid);
if (bankcorriter == map_bankLogCorr.end())
- throw runtime_error("It cannot happen!");
+ throw std::runtime_error("It cannot happen!");
double offset = offsetiter->second + bankcorriter->second;
m_tofOffsetsWS->mutableY(iws)[0] = pow(10., offset);
@@ -481,7 +479,7 @@ void LoadVulcanCalFile::alignEventWorkspace() {
size_t numberOfSpectra = m_eventWS->getNumberHistograms();
if (numberOfSpectra != m_tofOffsetsWS->getNumberHistograms())
- throw runtime_error("Number of histograms are different!");
+ throw std::runtime_error("Number of histograms are different!");
PARALLEL_FOR_NO_WSP_CHECK()
for (int64_t i = 0; i < int64_t(numberOfSpectra); ++i) {
@@ -519,7 +517,7 @@ void LoadVulcanCalFile::convertOffsets() {
const auto &spectrumInfo = m_tofOffsetsWS->spectrumInfo();
double l1 = spectrumInfo.l1();
- map<int, pair<double, double>>::iterator mfiter;
+ std::map<int, std::pair<double, double>>::iterator mfiter;
for (size_t iws = 0; iws < numspec; ++iws) {
// Get detector's information including bank belonged to and geometry
// parameters
@@ -533,7 +531,8 @@ void LoadVulcanCalFile::convertOffsets() {
// Get effective
mfiter = m_effLTheta.find(bankid);
if (mfiter == m_effLTheta.end())
- throw runtime_error("Effective DIFC and 2theta information is missed. ");
+ throw std::runtime_error(
+ "Effective DIFC and 2theta information is missed. ");
double effL = mfiter->second.first;
double effTheta = mfiter->second.second;
diff --git a/Framework/DataHandling/src/PatchBBY.cpp b/Framework/DataHandling/src/PatchBBY.cpp
index 61af55dfed1cfb918cdaebfa2c0213b9b38affba..d3b8851718f75aeff9dcd00edd5e824529eadf21 100644
--- a/Framework/DataHandling/src/PatchBBY.cpp
+++ b/Framework/DataHandling/src/PatchBBY.cpp
@@ -115,10 +115,7 @@ void PatchBBY::init() {
case TYPE_STR:
if (std::strcmp(itr->Name, "FrameSource") == 0) {
- std::vector<std::string> keys;
- keys.emplace_back("");
- keys.emplace_back(EXTERNAL);
- keys.emplace_back(INTERNAL);
+ std::array<std::string, 3> keys = {{"", EXTERNAL, INTERNAL}};
declareProperty(
Kernel::make_unique<Kernel::PropertyWithValue<std::string>>(
itr->Name, "",
diff --git a/Framework/DataHandling/src/RemoveLogs.cpp b/Framework/DataHandling/src/RemoveLogs.cpp
index e29203f4db23251365da50db228a706f500f2526..78d2a8a53587594478a995694cd0a775f3a8975a 100644
--- a/Framework/DataHandling/src/RemoveLogs.cpp
+++ b/Framework/DataHandling/src/RemoveLogs.cpp
@@ -62,6 +62,7 @@ void RemoveLogs::exec() {
localWorkspace->run().getLogData();
std::vector<std::string> keepLogs = getProperty("KeepLogs");
std::vector<std::string> logNames;
+ logNames.reserve(logData.size());
for (const auto property : logData) {
logNames.push_back(property->name());
}
diff --git a/Framework/DataHandling/src/SaveAscii.cpp b/Framework/DataHandling/src/SaveAscii.cpp
index 090452f80897cbb9e72b013c0da017e7add7fc1b..2b10f7211f0e1cf6208c4e26a2e3855ac0451895 100644
--- a/Framework/DataHandling/src/SaveAscii.cpp
+++ b/Framework/DataHandling/src/SaveAscii.cpp
@@ -111,7 +111,7 @@ void SaveAscii::exec() {
std::string sep;
// If the custom separator property is not empty, then we use that under any
// circumstance.
- if (custom != "") {
+ if (!custom.empty()) {
sep = custom;
}
// Else if the separator drop down choice is not UserDefined then we use that.
diff --git a/Framework/DataHandling/src/SaveAscii2.cpp b/Framework/DataHandling/src/SaveAscii2.cpp
index e44f640c9e590fbf517dd567532e29532f97a532..55a10b34c34d516607d3aa774885395208c06c75 100644
--- a/Framework/DataHandling/src/SaveAscii2.cpp
+++ b/Framework/DataHandling/src/SaveAscii2.cpp
@@ -166,7 +166,7 @@ void SaveAscii2::exec() {
const std::string custom = getPropertyValue("CustomSeparator");
// If the custom separator property is not empty, then we use that under any
// circumstance.
- if (custom != "") {
+ if (!custom.empty()) {
m_sep = custom;
}
// Else if the separator drop down choice is not UserDefined then we use that.
diff --git a/Framework/DataHandling/src/SaveDiffFittingAscii.cpp b/Framework/DataHandling/src/SaveDiffFittingAscii.cpp
index 1a499698b74dced9a685e490a027347163daa3c8..c7fa62e19a9c75ac305896b0f021f7616fddb983 100644
--- a/Framework/DataHandling/src/SaveDiffFittingAscii.cpp
+++ b/Framework/DataHandling/src/SaveDiffFittingAscii.cpp
@@ -86,6 +86,7 @@ bool SaveDiffFittingAscii::processGroups() {
AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(name);
std::vector<API::ITableWorkspace_sptr> input_ws;
+ input_ws.reserve(inputGroup->getNumberOfEntries());
for (int i = 0; i < inputGroup->getNumberOfEntries(); ++i) {
input_ws.push_back(
boost::dynamic_pointer_cast<ITableWorkspace>(inputGroup->getItem(i)));
diff --git a/Framework/DataHandling/src/SaveFITS.cpp b/Framework/DataHandling/src/SaveFITS.cpp
index 7781b9d9d43d58ddbf7a0f0b7f428c230e84ab15..b1047c4a20e3238a21894e26f5aedcf512b4ebb4 100644
--- a/Framework/DataHandling/src/SaveFITS.cpp
+++ b/Framework/DataHandling/src/SaveFITS.cpp
@@ -44,8 +44,8 @@ const std::string SaveFITS::g_FITSHdrRefComment2 =
// extend this if we ever want to support 64 bits pixels
const size_t SaveFITS::g_maxBitDepth = 32;
// this has to have int type for the validator and getProperty
-const std::vector<int> SaveFITS::g_bitDepths{8, 16,
- static_cast<int>(g_maxBitDepth)};
+const std::array<int, 3> SaveFITS::g_bitDepths = {
+ {8, 16, static_cast<int>(g_maxBitDepth)}};
const size_t SaveFITS::g_maxBytesPP = g_maxBitDepth / 8;
using Mantid::Kernel::Direction;
diff --git a/Framework/DataHandling/src/SaveGSS.cpp b/Framework/DataHandling/src/SaveGSS.cpp
index 14340729bd36bb47b73e3f8f5a8cc31b45e77019..7cc5450a9728fd863c7364ea46e4b4549736ec73 100644
--- a/Framework/DataHandling/src/SaveGSS.cpp
+++ b/Framework/DataHandling/src/SaveGSS.cpp
@@ -9,6 +9,7 @@
#include "MantidKernel/PhysicalConstants.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/VisibleWhenProperty.h"
+#include "MantidKernel/make_unique.h"
#include <Poco/File.h>
#include <Poco/Path.h>
@@ -80,7 +81,7 @@ std::unique_ptr<std::stringstream> makeStringStream() {
// so there are lots of restrictions in place with stream.
// Instead we can work around this by using pointers to streams.
// Tl;dr - This is a workaround for GCC 4.x (RHEL7)
- return std::move(std::unique_ptr<std::stringstream>(new std::stringstream()));
+ return Mantid::Kernel::make_unique<std::stringstream>();
}
void writeBankHeader(std::stringstream &out, const std::string &bintype,
diff --git a/Framework/DataHandling/src/SaveReflCustomAscii.cpp b/Framework/DataHandling/src/SaveReflCustomAscii.cpp
index 6b9a61892c157d851e748b78045e009ac348ee3d..2630e931e3ea1bbdadd0f79fe1f1970db238a00d 100644
--- a/Framework/DataHandling/src/SaveReflCustomAscii.cpp
+++ b/Framework/DataHandling/src/SaveReflCustomAscii.cpp
@@ -34,7 +34,7 @@ void SaveReflCustomAscii::extraHeaders(std::ofstream &file) {
std::string subtitleEntry;
std::string title = getProperty("Title");
- if (title != "") // if is toggled
+ if (!title.empty()) // if is toggled
{
file << "#" << title << '\n';
}
diff --git a/Framework/DataHandling/src/SaveReflThreeColumnAscii.cpp b/Framework/DataHandling/src/SaveReflThreeColumnAscii.cpp
index 29b9218c24ea1de02e57c71e0e2a5321bb4d0467..cf8c9cd7013801a4880ac92aa98f8b7cb27fb5c6 100644
--- a/Framework/DataHandling/src/SaveReflThreeColumnAscii.cpp
+++ b/Framework/DataHandling/src/SaveReflThreeColumnAscii.cpp
@@ -28,7 +28,7 @@ void SaveReflThreeColumnAscii::extraHeaders(std::ofstream &file) {
auto samp = m_ws->run();
std::string title = getProperty("Title");
- if (title != "") // if is toggled
+ if (!title.empty()) // if is toggled
{
file << "#" << title << '\n';
}
diff --git a/Framework/DataHandling/src/SaveSESANS.cpp b/Framework/DataHandling/src/SaveSESANS.cpp
index 3f3a965d8aab223e56643674f6e58a0553752362..de5f3570ccee34ff58bd4e95c2e731de269c8a4c 100644
--- a/Framework/DataHandling/src/SaveSESANS.cpp
+++ b/Framework/DataHandling/src/SaveSESANS.cpp
@@ -66,13 +66,16 @@ void SaveSESANS::init() {
"Filename", "", API::FileProperty::Save, fileExtensions),
"The name to use when saving the file");
- declareProperty("ThetaZMax", EMPTY_DBL(), "Theta_zmax",
+ declareProperty("ThetaZMax", EMPTY_DBL(),
+ "The angular acceptance in the encoding direction",
Kernel::Direction::Input);
declareProperty("ThetaZMaxUnit", "radians", Kernel::Direction::Input);
- declareProperty("ThetaYMax", EMPTY_DBL(), "Theta_ymax",
+ declareProperty("ThetaYMax", EMPTY_DBL(),
+ "The angular acceptance in the non-encoding direction",
Kernel::Direction::Input);
declareProperty("ThetaYMaxUnit", "radians", Kernel::Direction::Input);
- declareProperty("EchoConstant", EMPTY_DBL(), "Echo_constant",
+ declareProperty("EchoConstant", EMPTY_DBL(),
+ "The spin echo length, in nanometers, probed by a 1A neutron",
Kernel::Direction::Input);
declareProperty<std::string>("Sample", "", "Sample name",
diff --git a/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp b/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
index b44854c1b2ffcd7e7b9859d041bca976a5b69bed..38625424c86340cf3b68e44562635a4de5e3b837 100644
--- a/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
+++ b/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
@@ -560,13 +560,13 @@ int SaveToSNSHistogramNexus::WriteGroup(int is_definition) {
}
//---------------------------------------------------------------------------------------
- if (data_label == "data" && (bank != "")) {
+ if (data_label == "data" && (!bank.empty())) {
if (this->WriteDataGroup(bank, is_definition) != NX_OK)
return NX_ERROR;
;
}
//---------------------------------------------------------------------------------------
- else if (data_label == "time_of_flight" && (bank != "")) {
+ else if (data_label == "time_of_flight" && (!bank.empty())) {
// Get the original info
if (NXgetinfo(inId, &dataRank, dataDimensions, &dataType) != NX_OK)
return NX_ERROR;
diff --git a/Framework/DataHandling/test/LoadILLDiffractionTest.h b/Framework/DataHandling/test/LoadILLDiffractionTest.h
index 5588ae4a2d1a6b0eac80eafbf19bec5567c882a2..baf3f3389a451a673354a17c1d765fa4c522b774 100644
--- a/Framework/DataHandling/test/LoadILLDiffractionTest.h
+++ b/Framework/DataHandling/test/LoadILLDiffractionTest.h
@@ -247,7 +247,7 @@ public:
// Check detector tubes are moved as expected
const double ANGULAR_DETECTOR_SPACING = 1.25;
const double ANGULAR_SCAN_INCREMENT = 0.05;
- const double TUBE_1_START_ANGLE = 147.496;
+ const double TUBE_128_FIRST_ANGLE = 147.496;
for (size_t i = 0; i < NUMBER_OF_TUBES; ++i) {
for (size_t j = 0; j < detInfo.scanCount(i); ++j) {
@@ -263,18 +263,19 @@ public:
// Check the tube centre is 90 degrees from the y-axis
TS_ASSERT_DELTA(tubeCentre.angle(V3D(0, 1, 0)) * RAD_2_DEG, 90.0, 1e-6)
// Check the tube centre is at the expected angle from the z-axis
- // (incoming beam). The first angle for tube_1 is hard coded here, then
+ // (incoming beam). The last angle for tube_128 is hard coded here, then
// for each time index the angle increments by ANGULAR_SCAN_INCREMENT
// (0.05 deg). Then detectors themselves are spaced apart by
// ANGULARD_DETECTOR_SPACING (1.25 deg).
//
// A generous tolerance is required as the NeXus file contains the
// actual hardware readings, which have a large tolerance.
- TS_ASSERT_DELTA(tubeCentre.angle(V3D(0, 0, 1)) * RAD_2_DEG,
- std::abs(ANGULAR_SCAN_INCREMENT * double(j) +
- TUBE_1_START_ANGLE -
- ANGULAR_DETECTOR_SPACING * double(i)),
- 1e-2)
+ TS_ASSERT_DELTA(
+ tubeCentre.angle(V3D(0, 0, 1)) * RAD_2_DEG,
+ std::abs(ANGULAR_SCAN_INCREMENT * double(j) + TUBE_128_FIRST_ANGLE -
+ ANGULAR_DETECTOR_SPACING * (NUMBER_OF_TUBES - 1) +
+ ANGULAR_DETECTOR_SPACING * double(i)),
+ 1e-2)
}
}
}
diff --git a/Framework/DataHandling/test/LoadILLReflectometryTest.h b/Framework/DataHandling/test/LoadILLReflectometryTest.h
index f32f030570e0b55d45245b0f2afc811267d6f585..9e92e1d24e2ab4f87e9acdba6f64156ccda57b93 100644
--- a/Framework/DataHandling/test/LoadILLReflectometryTest.h
+++ b/Framework/DataHandling/test/LoadILLReflectometryTest.h
@@ -3,14 +3,87 @@
#include <cxxtest/TestSuite.h>
+#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
+#include "MantidAPI/Axis.h"
+#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/SpectrumInfo.h"
+#include "MantidDataHandling/LoadEmptyInstrument.h"
#include "MantidDataHandling/LoadILLReflectometry.h"
+#include "MantidDataObjects/TableWorkspace.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidKernel/Unit.h"
using namespace Mantid::API;
using Mantid::DataHandling::LoadILLReflectometry;
+using Mantid::DataHandling::LoadEmptyInstrument;
class LoadILLReflectometryTest : public CxxTest::TestSuite {
+private:
+ const std::string m_d17DirectBeamFile{"ILL/D17/317369.nxs"};
+ const std::string m_d17File{"ILL/D17/317370.nxs"};
+ const std::string m_figaroFile{"ILL/Figaro/598488.nxs"};
+ // Name of the default output workspace
+ const std::string m_outWSName{"LoadILLReflectometryTest_OutputWS"};
+
+ void commonProperties(MatrixWorkspace_sptr output,
+ const std::string &instrName) {
+ TS_ASSERT(output->isHistogramData());
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto spectrumInfoSize = spectrumInfo.size();
+ TS_ASSERT(spectrumInfo.isMonitor(spectrumInfoSize - 1));
+ TS_ASSERT(spectrumInfo.isMonitor(spectrumInfoSize - 2));
+ TS_ASSERT_EQUALS(output->getNumberHistograms(), 256 + 2);
+ TS_ASSERT_EQUALS(output->blocksize(), 1000);
+ TS_ASSERT_EQUALS(output->run().getProperty("Facility")->value(), "ILL");
+ TS_ASSERT_EQUALS(output->getInstrument()->getName(), instrName);
+ // check the sum of all detector counts against Nexus file entry detsum
+ TS_ASSERT_EQUALS(output->run().getPropertyValueAsType<double>("PSD.detsum"),
+ detCounts(output));
+ }
+
+ double detCounts(MatrixWorkspace_sptr output) {
+ // sum of detector counts
+ double counts{0.0};
+ for (size_t i = 0; i < output->getNumberHistograms(); ++i) {
+ if (output->spectrumInfo().isMonitor(i)) {
+ continue;
+ }
+ auto &values = output->y(i);
+ counts = std::accumulate(values.begin(), values.end(), counts);
+ }
+ return counts;
+ }
+
+ void getWorkspaceFor(MatrixWorkspace_sptr &output, const std::string fileName,
+ const std::string outFile, std::string property = "",
+ std::string value = "") {
+ bool success = loadSpecific(fileName, outFile, property, value);
+ if (success) {
+ output =
+ AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outFile);
+ TS_ASSERT(output);
+ }
+ }
+
+ bool loadSpecific(const std::string fileName, const std::string outFile,
+ std::string property = "", std::string value = "") {
+ LoadILLReflectometry loader;
+ loader.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(loader.initialize());
+ TS_ASSERT(loader.isInitialized());
+ TS_ASSERT_THROWS_NOTHING(loader.setPropertyValue("Filename", fileName));
+ TS_ASSERT_THROWS_NOTHING(
+ loader.setPropertyValue("OutputWorkspace", outFile));
+ if (property != "" && value != "") {
+ loader.setPropertyValue(property, value);
+ }
+ TS_ASSERT_THROWS_NOTHING(loader.execute(););
+ TS_ASSERT(loader.isExecuted());
+ return loader.isExecuted();
+ }
+
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
@@ -19,55 +92,230 @@ public:
}
static void destroySuite(LoadILLReflectometryTest *suite) { delete suite; }
- LoadILLReflectometryTest() : m_dataFile("ILLD17-161876-Ni.nxs") {}
+ void tearDown() override { AnalysisDataService::Instance().clear(); }
- void test_Init() {
+ void testName() {
LoadILLReflectometry loader;
- TS_ASSERT_THROWS_NOTHING(loader.initialize())
- TS_ASSERT(loader.isInitialized())
+ TS_ASSERT_THROWS_NOTHING(loader.initialize());
+ TS_ASSERT(loader.isInitialized());
+ TS_ASSERT_EQUALS(loader.name(), "LoadILLReflectometry");
}
- void testName() {
+ void testVersion() {
LoadILLReflectometry loader;
- TS_ASSERT_EQUALS(loader.name(), "LoadILLReflectometry");
+ TS_ASSERT_THROWS_NOTHING(loader.initialize());
+ TS_ASSERT_EQUALS(loader.version(), 1);
}
- void test_exec() {
- // Name of the output workspace.
- std::string outWSName("LoadILLReflectometryTest_OutputWS");
+ void testExecD17() { loadSpecific(m_d17File, m_outWSName); }
- LoadILLReflectometry loader;
- TS_ASSERT_THROWS_NOTHING(loader.initialize())
- TS_ASSERT(loader.isInitialized())
- TS_ASSERT_THROWS_NOTHING(loader.setPropertyValue("Filename", m_dataFile));
- TS_ASSERT_THROWS_NOTHING(
- loader.setPropertyValue("OutputWorkspace", outWSName));
- TS_ASSERT_THROWS_NOTHING(loader.execute(););
- TS_ASSERT(loader.isExecuted());
+ // D17
- MatrixWorkspace_sptr output =
- AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(outWSName);
- TS_ASSERT(output);
+ void testTOFD17() {
+ MatrixWorkspace_sptr output;
+ getWorkspaceFor(output, m_d17File, m_outWSName, "XUnit", "TimeOfFlight");
+ TS_ASSERT_EQUALS(output->getAxis(0)->unit()->unitID(), "TOF");
+ const auto &run = output->run();
+ const auto channelWidth =
+ run.getPropertyValueAsType<double>("PSD.time_of_flight_0");
+ const auto channelCount = static_cast<size_t>(
+ run.getPropertyValueAsType<double>("PSD.time_of_flight_1"));
+ const auto tofDelay =
+ run.getPropertyValueAsType<double>("PSD.time_of_flight_2");
+ const auto chopper1Speed = run.getPropertyValueAsType<double>(
+ "VirtualChopper.chopper1_speed_average");
+ const auto chopper1Phase =
+ run.getPropertyValueAsType<double>("Chopper1.phase");
+ const auto chopper2Phase = run.getPropertyValueAsType<double>(
+ "VirtualChopper.chopper2_phase_average");
+ const auto pOffset =
+ run.getPropertyValueAsType<double>("VirtualChopper.poff");
+ const auto openOffset =
+ run.getPropertyValueAsType<double>("VirtualChopper.open_offset");
+ const auto tof0 =
+ tofDelay + 0.5 * channelWidth -
+ 60e6 * (pOffset - 45 + chopper2Phase - chopper1Phase + openOffset) /
+ (2 * 360 * chopper1Speed);
+ TS_ASSERT_EQUALS(output->blocksize(), channelCount);
+ for (size_t i = 0; i < output->getNumberHistograms(); ++i) {
+ for (size_t j = 0; j < 1; ++j) {
+ const auto tof = tof0 + static_cast<double>(j) * channelWidth;
+ TS_ASSERT_DELTA(output->x(i)[j], tof, 1e-12)
+ }
+ }
+ }
- TS_ASSERT_EQUALS(output->getNumberHistograms(), 256 + 2);
+ void testSourcePositionD17() {
+ MatrixWorkspace_sptr output;
+ getWorkspaceFor(output, m_d17File, m_outWSName, "XUnit", "TimeOfFlight");
+ const auto &run = output->run();
+ const auto chopperCentre =
+ run.getPropertyValueAsType<double>("VirtualChopper.dist_chop_samp");
+ const auto chopperSeparation =
+ run.getPropertyValueAsType<double>("Distance.ChopperGap") / 100;
+ const auto sourceSample = chopperCentre - 0.5 * chopperSeparation;
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto l1 = spectrumInfo.l1();
+ TS_ASSERT_DELTA(sourceSample, l1, 1e-12)
+ const auto samplePos = spectrumInfo.samplePosition();
+ const auto sourcePos = spectrumInfo.sourcePosition();
+ for (size_t i = 0; i < 3; ++i) {
+ TS_ASSERT_EQUALS(samplePos[i], 0)
+ }
+ TS_ASSERT_EQUALS(sourcePos.X(), 0)
+ TS_ASSERT_EQUALS(sourcePos.Y(), 0)
+ TS_ASSERT_EQUALS(sourcePos.Z(), -sourceSample)
+ }
- double channelWidth =
- output->run().getPropertyValueAsType<double>("channel_width");
- TS_ASSERT_EQUALS(channelWidth, 57.0);
+ void testDetectorPositionAndRotationD17() {
+ MatrixWorkspace_sptr output;
+ getWorkspaceFor(output, m_d17File, m_outWSName);
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto &run = output->run();
+ const auto detDist = run.getPropertyValueAsType<double>("det.value") / 1000;
+ const auto pixWidth = run.getPropertyValueAsType<double>("PSD.mppx") / 1000;
+ const auto detAngle =
+ run.getPropertyValueAsType<double>("dan.value") * M_PI / 180;
+ for (size_t i = 0; i < spectrumInfo.size(); ++i) {
+ if (spectrumInfo.isMonitor(i)) {
+ continue;
+ }
+ const auto p = spectrumInfo.position(i);
+ TS_ASSERT_EQUALS(p.Y(), 0)
+ const auto pixOffset = (127.5 - static_cast<double>(i)) * pixWidth;
+ const auto pixAngle = detAngle + std::atan2(pixOffset, detDist);
+ const auto pixDist = std::sqrt(pixOffset * pixOffset + detDist * detDist);
+ const auto idealX = pixDist * std::sin(pixAngle);
+ const auto idealZ = pixDist * std::cos(pixAngle);
+ TS_ASSERT_DELTA(p.X(), idealX, 1e-8)
+ TS_ASSERT_DELTA(p.Z(), idealZ, 1e-8)
+ }
+ }
- double analyserAngle =
- output->run().getPropertyValueAsType<double>("dan.value");
- TS_ASSERT_EQUALS(analyserAngle, 3.1909999847412109);
+ void test2ThetaD17() {
+ MatrixWorkspace_sptr output;
+ getWorkspaceFor(output, m_d17File, m_outWSName);
+ // Compare angles in rad
+ const auto &spectrumInfo = output->spectrumInfo();
+ // Check twoTheta between two center detectors.
+ const auto dan = output->run().getPropertyValueAsType<double>("dan.value");
+ TS_ASSERT_LESS_THAN_EQUALS(spectrumInfo.twoTheta(128) * 180 / M_PI, dan)
+ TS_ASSERT_LESS_THAN_EQUALS(dan, spectrumInfo.twoTheta(127) * 180 / M_PI)
+ const auto stheta = output->run().getPropertyValueAsType<double>("stheta");
+ TS_ASSERT_EQUALS(2 * stheta * 180 / M_PI, dan)
+ }
- if (!output)
- return;
+ void testUserAngleD17() {
+ MatrixWorkspace_sptr output;
+ const double angle = 23.23;
+ getWorkspaceFor(output, m_d17File, m_outWSName, "BraggAngle",
+ std::to_string(angle));
+ const auto &spectrumInfo = output->spectrumInfo();
+ TS_ASSERT_LESS_THAN_EQUALS(spectrumInfo.twoTheta(128) * 180 / M_PI, angle)
+ TS_ASSERT_LESS_THAN_EQUALS(angle, spectrumInfo.twoTheta(127) * 180 / M_PI)
+ const auto stheta = output->run().getPropertyValueAsType<double>("stheta");
+ TS_ASSERT_EQUALS(2 * stheta * 180 / M_PI, angle)
+ }
- // Remove workspace from the data service.
- AnalysisDataService::Instance().clear();
+ void testPropertiesD17() {
+ MatrixWorkspace_sptr output;
+ getWorkspaceFor(output, m_d17File, m_outWSName);
+ commonProperties(output, "D17");
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto detAngle =
+ (spectrumInfo.twoTheta(127) + spectrumInfo.twoTheta(128)) / 2;
+ TS_ASSERT_DELTA(2 * output->run().getPropertyValueAsType<double>("stheta"),
+ detAngle, 1e-10)
}
-private:
- std::string m_dataFile;
+ void testDirectBeamOutput() {
+ using namespace Mantid::DataObjects;
+ MatrixWorkspace_sptr output;
+ const std::string beamPosWSName{"LoadILLReflectometryTest_BeapPositionWS"};
+ getWorkspaceFor(output, m_d17DirectBeamFile, m_outWSName,
+ "OutputBeamPosition", beamPosWSName);
+ TableWorkspace_sptr beamPosWS =
+ AnalysisDataService::Instance().retrieveWS<TableWorkspace>(
+ beamPosWSName);
+ TS_ASSERT(beamPosWS)
+ TS_ASSERT_EQUALS(beamPosWS->rowCount(), 1)
+ TS_ASSERT_EQUALS(beamPosWS->columnCount(), 4)
+ const auto colNames = beamPosWS->getColumnNames();
+ TS_ASSERT_EQUALS(
+ std::count(colNames.cbegin(), colNames.cend(), "DetectorAngle"), 1)
+ const auto &detAngles = beamPosWS->getColVector<double>("DetectorAngle");
+ const auto &run = output->run();
+ const auto dan = run.getPropertyValueAsType<double>("dan.value");
+ TS_ASSERT_EQUALS(detAngles.front(), dan)
+ TS_ASSERT_EQUALS(
+ std::count(colNames.cbegin(), colNames.cend(), "DetectorDistance"), 1)
+ const auto &detDistances =
+ beamPosWS->getColVector<double>("DetectorDistance");
+ const auto detDist = run.getPropertyValueAsType<double>("det.value") / 1000;
+ TS_ASSERT_EQUALS(detDistances.front(), detDist)
+ TS_ASSERT_EQUALS(
+ std::count(colNames.cbegin(), colNames.cend(), "PositionOfMaximum"), 1)
+ const auto maxPositions =
+ beamPosWS->getColVector<double>("PositionOfMaximum");
+ TS_ASSERT_EQUALS(maxPositions.front(), 202)
+ TS_ASSERT_EQUALS(
+ std::count(colNames.cbegin(), colNames.cend(), "FittedPeakCentre"), 1)
+ const auto peakCentres =
+ beamPosWS->getColVector<double>("FittedPeakCentre");
+ TS_ASSERT_DELTA(peakCentres.front(), maxPositions.front(), 0.5)
+ }
+
+ void testDirectBeamInput() {
+ using namespace Mantid::DataObjects;
+ MatrixWorkspace_sptr dbOutput;
+ const std::string dbBeamPosWSName{
+ "LoadILLReflectometryTest_DbBeamPositionWS"};
+ getWorkspaceFor(dbOutput, m_d17DirectBeamFile,
+ "LoadILLReflectometryTest_DirectBeamWS",
+ "OutputBeamPosition", dbBeamPosWSName);
+ TableWorkspace_sptr dbBeamPosWS =
+ AnalysisDataService::Instance().retrieveWS<TableWorkspace>(
+ dbBeamPosWSName);
+ MatrixWorkspace_sptr refOutput;
+ // Due to limitation of getWorkspaceFor, we run it twice for the reflected
+ // beam.
+ const std::string refBeamPosWSName{
+ "LoadILLReflectometryTest_RefBeamPositionWS"};
+ getWorkspaceFor(refOutput, m_d17File, m_outWSName, "OutputBeamPosition",
+ refBeamPosWSName);
+ TableWorkspace_sptr refBeamPosWS =
+ AnalysisDataService::Instance().retrieveWS<TableWorkspace>(
+ refBeamPosWSName);
+ getWorkspaceFor(refOutput, m_d17File, m_outWSName, "BeamPosition",
+ dbBeamPosWSName);
+ const auto dbDetAngle = dbBeamPosWS->cell_cast<double>(0, "DetectorAngle");
+ const auto dbDetDist =
+ dbBeamPosWS->cell_cast<double>(0, "DetectorDistance");
+ const auto dbPeakPos =
+ dbBeamPosWS->cell_cast<double>(0, "FittedPeakCentre");
+ const auto dbPixWidth =
+ dbOutput->run().getPropertyValueAsType<double>("PSD.mppx") / 1000;
+ const auto dbPeakOffset = (127.5 - dbPeakPos) * dbPixWidth;
+ const auto dbOffsetAngle = std::atan2(dbPeakOffset, dbDetDist) * 180 / M_PI;
+ const auto refDetAngle =
+ refOutput->run().getPropertyValueAsType<double>("dan.value");
+ const auto refDetDist =
+ refOutput->run().getPropertyValueAsType<double>("det.value") / 1000;
+ const auto refPeakPos =
+ refBeamPosWS->cell_cast<double>(0, "FittedPeakCentre");
+ const auto refPixWidth =
+ refOutput->run().getPropertyValueAsType<double>("PSD.mppx") / 1000;
+ const auto refPeakOffset = (127.5 - refPeakPos) * refPixWidth;
+ const auto refOffsetAngle =
+ std::atan2(refPeakOffset, refDetDist) * 180 / M_PI;
+ const auto newDetAngle =
+ refDetAngle - dbDetAngle - 2 * dbOffsetAngle + refOffsetAngle;
+ const auto &spectrumInfo = refOutput->spectrumInfo();
+ TS_ASSERT_LESS_THAN_EQUALS(spectrumInfo.twoTheta(128) * 180 / M_PI,
+ newDetAngle)
+ TS_ASSERT_LESS_THAN_EQUALS(newDetAngle,
+ spectrumInfo.twoTheta(127) * 180 / M_PI)
+ }
};
class LoadILLReflectometryTestPerformance : public CxxTest::TestSuite {
@@ -89,7 +337,7 @@ public:
delete loadAlgPtrs[i];
loadAlgPtrs[i] = nullptr;
}
- Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ Mantid::API::AnalysisDataService::Instance().remove(m_outWSName);
}
private:
@@ -97,15 +345,15 @@ private:
const int numberOfIterations = 5;
- const std::string inFileName = "ILLD17-161876-Ni.nxs";
- const std::string outWSName = "LoadILLReflectomeryWsOut";
+ const std::string inFileName = "ILL/D17/317370.nxs";
+ const std::string m_outWSName = "LoadILLReflectomeryWsOut";
LoadILLReflectometry *setupAlg() {
LoadILLReflectometry *loader = new LoadILLReflectometry;
loader->initialize();
loader->isInitialized();
loader->setPropertyValue("Filename", inFileName);
- loader->setPropertyValue("OutputWorkspace", outWSName);
+ loader->setPropertyValue("OutputWorkspace", m_outWSName);
loader->setRethrows(true);
return loader;
diff --git a/Framework/DataObjects/inc/MantidDataObjects/MDEventInserter.h b/Framework/DataObjects/inc/MantidDataObjects/MDEventInserter.h
index f2a20607738abe817bed57b495ff5977e2bf43e3..db2057aa2b565f664b72601e634d287fbf1e4fe9 100644
--- a/Framework/DataObjects/inc/MantidDataObjects/MDEventInserter.h
+++ b/Framework/DataObjects/inc/MantidDataObjects/MDEventInserter.h
@@ -63,15 +63,15 @@ public:
determined internally using type information on the MDEventType.
@param signal : intensity
@param errorSQ : squared value of the error
- @param runno : run number
+ @param runindex : run index (index into the vector of ExperimentInfo)
@param detectno : detector number
@param coords : pointer to coordinates array
*/
- void insertMDEvent(float signal, float errorSQ, uint16_t runno,
+ void insertMDEvent(float signal, float errorSQ, uint16_t runindex,
int32_t detectno, Mantid::coord_t *coords) {
// compile-time overload selection based on nested type information on the
// MDEventType.
- insertMDEvent(signal, errorSQ, runno, detectno, coords,
+ insertMDEvent(signal, errorSQ, runindex, detectno, coords,
IntToType<MDEventType::is_full_mdevent>());
}
@@ -94,14 +94,14 @@ private:
Creates a FULL MDEvent and adds it to the MDEW.
@param signal : intensity
@param errorSQ : squared value of the error
- @param runno : run number
+ @param runindex : run index
@param detectno : detector number
@param coords : pointer to coordinates array
*/
- void insertMDEvent(float signal, float errorSQ, uint16_t runno,
+ void insertMDEvent(float signal, float errorSQ, uint16_t runindex,
int32_t detectno, Mantid::coord_t *coords,
IntToType<true>) {
- m_ws->addEvent(MDEventType(signal, errorSQ, runno, detectno, coords));
+ m_ws->addEvent(MDEventType(signal, errorSQ, runindex, detectno, coords));
}
};
diff --git a/Framework/DataObjects/src/EventList.cpp b/Framework/DataObjects/src/EventList.cpp
index 9471b3bf95b5582ee9268e4a4176cfaad5588f43..64dd418bad5f778f723e338dadd2e63921ec7b79 100644
--- a/Framework/DataObjects/src/EventList.cpp
+++ b/Framework/DataObjects/src/EventList.cpp
@@ -4403,7 +4403,7 @@ void EventList::splitByPulseTimeWithMatrix(
}
// Split
- if (vec_target.size() == 0) {
+ if (vec_target.empty()) {
// No splitter: copy all events to group workspace = -1
(*outputs[-1]) = (*this);
} else {
diff --git a/Framework/DataObjects/src/MDHistoWorkspace.cpp b/Framework/DataObjects/src/MDHistoWorkspace.cpp
index 0b2c563a92242ce5dc0818927df67bcfac233a72..d08c9ffeef6815b3399bc7efbba006dbab01f0c8 100644
--- a/Framework/DataObjects/src/MDHistoWorkspace.cpp
+++ b/Framework/DataObjects/src/MDHistoWorkspace.cpp
@@ -130,6 +130,7 @@ MDHistoWorkspace::~MDHistoWorkspace() {
void MDHistoWorkspace::init(
std::vector<Mantid::Geometry::MDHistoDimension_sptr> &dimensions) {
std::vector<IMDDimension_sptr> dim2;
+ dim2.reserve(dimensions.size());
for (auto &dimension : dimensions)
dim2.push_back(boost::dynamic_pointer_cast<IMDDimension>(dimension));
this->init(dim2);
diff --git a/Framework/DataObjects/src/ScanningWorkspaceBuilder.cpp b/Framework/DataObjects/src/ScanningWorkspaceBuilder.cpp
index 6c34f6d6693141a67e4c541030e04a948867baac..8fd72b9c3dcd8fe75f7cb716b124267729802d20 100644
--- a/Framework/DataObjects/src/ScanningWorkspaceBuilder.cpp
+++ b/Framework/DataObjects/src/ScanningWorkspaceBuilder.cpp
@@ -192,6 +192,7 @@ MatrixWorkspace_sptr ScanningWorkspaceBuilder::buildWorkspace() const {
m_instrument, m_nDetectors * m_nTimeIndexes, m_histogram);
auto &outputDetectorInfo = outputWorkspace->mutableDetectorInfo();
+ outputDetectorInfo.setScanInterval(m_timeRanges[0]);
buildOutputDetectorInfo(outputDetectorInfo);
@@ -222,7 +223,6 @@ MatrixWorkspace_sptr ScanningWorkspaceBuilder::buildWorkspace() const {
void ScanningWorkspaceBuilder::buildOutputDetectorInfo(
Geometry::DetectorInfo &outputDetectorInfo) const {
- outputDetectorInfo.setScanInterval(m_timeRanges[0]);
auto mergeWorkspace =
create<Workspace2D>(m_instrument, m_nDetectors, m_histogram.binEdges());
for (size_t i = 1; i < m_nTimeIndexes; ++i) {
diff --git a/Framework/DataObjects/test/MDEventInserterTest.h b/Framework/DataObjects/test/MDEventInserterTest.h
index 2fc05b5ecaa53cd4ec5e974c2d1262c2e2adecc3..8caccd71a86fde1c0bd54a3a154eb958862ba019 100644
--- a/Framework/DataObjects/test/MDEventInserterTest.h
+++ b/Framework/DataObjects/test/MDEventInserterTest.h
@@ -69,7 +69,7 @@ public:
Mantid::coord_t coord1[2] = {-1, -1};
float expectedSignal = 1;
float expectedErrorSq = 2;
- inserter.insertMDEvent(expectedSignal, expectedErrorSq, 1, 1, coord1);
+ inserter.insertMDEvent(expectedSignal, expectedErrorSq, 0, 1, coord1);
ws2d->refreshCache();
// Check the mdevent via the parent box.
@@ -78,7 +78,7 @@ public:
TS_ASSERT_EQUALS(expectedErrorSq, ws2d->getBox()->getErrorSquared());
// Add another md event
- inserter.insertMDEvent(expectedSignal, expectedErrorSq, 1, 1, coord1);
+ inserter.insertMDEvent(expectedSignal, expectedErrorSq, 0, 1, coord1);
ws2d->refreshCache();
TS_ASSERT_EQUALS(2, ws2d->getNPoints());
}
@@ -101,7 +101,7 @@ public:
Mantid::coord_t coord1[2] = {-1, -1};
float expectedSignal = 1;
float expectedErrorSq = 2;
- inserter.insertMDEvent(expectedSignal, expectedErrorSq, 1, 1, coord1);
+ inserter.insertMDEvent(expectedSignal, expectedErrorSq, 0, 1, coord1);
ws2d->refreshCache();
// Check the mdevent via the parent box.
@@ -110,7 +110,7 @@ public:
TS_ASSERT_EQUALS(expectedErrorSq, ws2d->getBox()->getErrorSquared());
// Add another md event
- inserter.insertMDEvent(expectedSignal, expectedErrorSq, 1, 1, coord1);
+ inserter.insertMDEvent(expectedSignal, expectedErrorSq, 0, 1, coord1);
ws2d->refreshCache();
TS_ASSERT_EQUALS(2, ws2d->getNPoints());
}
diff --git a/Framework/DataObjects/test/PeakTest.h b/Framework/DataObjects/test/PeakTest.h
index 9f8c9bdca1125e3a55ace9e9b0dada83cf63b89b..02c55fed90de9b19ee8e2c2fde660ed5522e5c1f 100644
--- a/Framework/DataObjects/test/PeakTest.h
+++ b/Framework/DataObjects/test/PeakTest.h
@@ -454,7 +454,6 @@ public:
}
void test_setQSampleFrameVirtualDetectorWithScatteringAngle() {
- constexpr auto radius = 10.;
auto sphereInst =
ComponentCreationHelper::createTestInstrumentRectangular(5, 100);
auto extendedSpaceObj =
@@ -467,7 +466,8 @@ public:
// test with & without extended detector space
// extended space is a sphere, so all points should fall radius*detector
// direction away from the detector direction with extended space
- auto testTheta = [this, &sphereInst, &radius](const double theta) {
+ auto testTheta = [this, &sphereInst](const double theta) {
+ constexpr auto radius = 10.;
const auto expectedDir = V3D(sin(theta), 0., cos(theta));
// test without extended detector space
diff --git a/Framework/Geometry/inc/MantidGeometry/Instrument/DetectorInfo.h b/Framework/Geometry/inc/MantidGeometry/Instrument/DetectorInfo.h
index 8e8ce068830e01298db78331b1c1d8cc9affa1ef..9cfb043aa32bfa15d6b3e6515bb58c7f15e1263f 100644
--- a/Framework/Geometry/inc/MantidGeometry/Instrument/DetectorInfo.h
+++ b/Framework/Geometry/inc/MantidGeometry/Instrument/DetectorInfo.h
@@ -76,6 +76,7 @@ public:
bool isEquivalent(const DetectorInfo &other) const;
size_t size() const;
+ size_t scanSize() const;
bool isScanning() const;
bool isMonitor(const size_t index) const;
diff --git a/Framework/Geometry/src/Crystal/ProductOfCyclicGroups.cpp b/Framework/Geometry/src/Crystal/ProductOfCyclicGroups.cpp
index 3aa2a64504e67418b8aa7b0ffd2f50c4fecea00a..460194a240c20e7c7cc997329f6d9b975859e8dd 100644
--- a/Framework/Geometry/src/Crystal/ProductOfCyclicGroups.cpp
+++ b/Framework/Geometry/src/Crystal/ProductOfCyclicGroups.cpp
@@ -31,7 +31,7 @@ ProductOfCyclicGroups::getGeneratedGroup(const std::string &generators) const {
std::vector<Group_const_sptr> ProductOfCyclicGroups::getFactorGroups(
const std::vector<SymmetryOperation> &symmetryOperations) const {
std::vector<Group_const_sptr> groups;
-
+ groups.reserve(symmetryOperations.size());
for (const auto &symmetryOperation : symmetryOperations) {
groups.push_back(
GroupFactory::create<CyclicGroup>(symmetryOperation.identifier()));
diff --git a/Framework/Geometry/src/Crystal/SymmetryElementFactory.cpp b/Framework/Geometry/src/Crystal/SymmetryElementFactory.cpp
index 09c5dfd1b37e2d2265dc3f2f764ddf5ae6629340..471c225be685c17caa1f65a81234382fe53b5d1b 100644
--- a/Framework/Geometry/src/Crystal/SymmetryElementFactory.cpp
+++ b/Framework/Geometry/src/Crystal/SymmetryElementFactory.cpp
@@ -313,7 +313,7 @@ std::string SymmetryElementMirrorGenerator::determineSymbol(
* proper symbol, so the general symbol "g" is used for these cases.
* Examples can be found in No. 227 (Fd-3m).
*/
- if (symbol == "") {
+ if (symbol.empty()) {
return "g";
}
diff --git a/Framework/Geometry/src/Crystal/SymmetryOperationFactory.cpp b/Framework/Geometry/src/Crystal/SymmetryOperationFactory.cpp
index 35651a9b6bab229e43c57a1090536092dd3c68a0..4630469d7cc882ba38354ce7173a286600812f04 100644
--- a/Framework/Geometry/src/Crystal/SymmetryOperationFactory.cpp
+++ b/Framework/Geometry/src/Crystal/SymmetryOperationFactory.cpp
@@ -32,6 +32,7 @@ SymmetryOperationFactoryImpl::createSymOps(const std::string &identifiers) {
std::vector<SymmetryOperation> SymmetryOperationFactoryImpl::createSymOps(
const std::vector<std::string> &identifiers) {
std::vector<SymmetryOperation> symOps;
+ symOps.reserve(identifiers.size());
for (const auto &identifier : identifiers) {
symOps.push_back(createSymOp(boost::trim_copy(identifier)));
}
diff --git a/Framework/Geometry/src/Instrument/DetectorInfo.cpp b/Framework/Geometry/src/Instrument/DetectorInfo.cpp
index 5979f7d3ada16c0605a6da65f2546c130013d95a..121d7e24b6631478cf13167d56c98da5c2fa63dd 100644
--- a/Framework/Geometry/src/Instrument/DetectorInfo.cpp
+++ b/Framework/Geometry/src/Instrument/DetectorInfo.cpp
@@ -83,6 +83,10 @@ bool DetectorInfo::isEquivalent(const DetectorInfo &other) const {
/// instrument.
size_t DetectorInfo::size() const { return m_detectorIDs->size(); }
+/// Returns the size of DetectorInfo taking into account scanning, i.e., the sum
+/// of the number of scan points for every detector in the instrument.
+size_t DetectorInfo::scanSize() const { return m_detectorInfo->scanSize(); }
+
/// Returns true if the beamline has scanning detectors.
bool DetectorInfo::isScanning() const { return m_detectorInfo->isScanning(); }
diff --git a/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp b/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
index f079aa5fa59343da650e578f8558d9952af781b0..62e0b6d875c8f4330375bd646fbd4ba9a06d0a87 100644
--- a/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
+++ b/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
@@ -1282,7 +1282,7 @@ void InstrumentDefinitionParser::createDetectorOrMonitor(
std::stringstream ss1, ss2;
ss1 << idList.vec.size();
ss2 << idList.counted;
- if (idList.idname == "") {
+ if (idList.idname.empty()) {
g_log.error("No list of detector IDs found for location element " + name);
throw Kernel::Exception::InstrumentDefinitionError(
"Detector location element " + name + " has no idlist.", filename);
diff --git a/Framework/Geometry/src/Instrument/InstrumentVisitor.cpp b/Framework/Geometry/src/Instrument/InstrumentVisitor.cpp
index 2f4204d1264234399180b02d13e20b5cfab75ade..a6a070f06c0a9b1fbdc3f4c148984b1d4f5daea3 100644
--- a/Framework/Geometry/src/Instrument/InstrumentVisitor.cpp
+++ b/Framework/Geometry/src/Instrument/InstrumentVisitor.cpp
@@ -56,8 +56,8 @@ void clearLegacyParameters(ParameterMap *pmap, const IComponent &comp) {
*/
InstrumentVisitor::InstrumentVisitor(
boost::shared_ptr<const Instrument> instrument)
- : m_orderedDetectorIds(boost::make_shared<std::vector<detid_t>>(std::move(
- instrument->getDetectorIDs(false /*Do not skip monitors*/)))),
+ : m_orderedDetectorIds(boost::make_shared<std::vector<detid_t>>(
+ instrument->getDetectorIDs(false /*Do not skip monitors*/))),
m_componentIds(boost::make_shared<std::vector<ComponentID>>(
m_orderedDetectorIds->size(), nullptr)),
m_assemblySortedDetectorIndices(
@@ -253,7 +253,7 @@ size_t InstrumentVisitor::registerDetector(const IDetector &detector) {
Kernel::toVector3d(detector.getPos());
(*m_detectorRotations)[detectorIndex] =
Kernel::toQuaterniond(detector.getRotation());
- (*m_shapes)[detectorIndex] = std::move(detector.shape());
+ (*m_shapes)[detectorIndex] = detector.shape();
(*m_scaleFactors)[detectorIndex] =
Kernel::toVector3d(detector.getScaleFactor());
if (m_instrument->isMonitorViaIndex(detectorIndex)) {
diff --git a/Framework/Geometry/src/MDGeometry/MDGeometryXMLParser.cpp b/Framework/Geometry/src/MDGeometry/MDGeometryXMLParser.cpp
index 8cb0b237fa16105e36e04d6084f91a5bc0ba90fc..14f37e578f8364453b0babdd394f66d877a99f6c 100644
--- a/Framework/Geometry/src/MDGeometry/MDGeometryXMLParser.cpp
+++ b/Framework/Geometry/src/MDGeometry/MDGeometryXMLParser.cpp
@@ -93,8 +93,10 @@ void MDGeometryXMLParser::execute() {
throw std::invalid_argument("Cannot determine x-dimension mapping.");
}
m_xDimension = *xDimensionIt;
- vecNonMappedDims.erase(std::remove_if(
- vecNonMappedDims.begin(), vecNonMappedDims.end(), findID(xDimId)));
+ vecNonMappedDims.erase(std::remove_if(vecNonMappedDims.begin(),
+ vecNonMappedDims.end(),
+ findID(xDimId)),
+ vecNonMappedDims.end());
}
Poco::XML::Element *yDimensionElement = geometryXMLElement->getChildElement(
@@ -112,8 +114,10 @@ void MDGeometryXMLParser::execute() {
throw std::invalid_argument("Cannot determine y-dimension mapping.");
}
m_yDimension = *yDimensionIt;
- vecNonMappedDims.erase(std::remove_if(
- vecNonMappedDims.begin(), vecNonMappedDims.end(), findID(yDimId)));
+ vecNonMappedDims.erase(std::remove_if(vecNonMappedDims.begin(),
+ vecNonMappedDims.end(),
+ findID(yDimId)),
+ vecNonMappedDims.end());
}
Poco::XML::Element *zDimensionElement = geometryXMLElement->getChildElement(
@@ -131,8 +135,10 @@ void MDGeometryXMLParser::execute() {
throw std::invalid_argument("Cannot determine z-dimension mapping.");
}
m_zDimension = *zDimensionIt;
- vecNonMappedDims.erase(std::remove_if(
- vecNonMappedDims.begin(), vecNonMappedDims.end(), findID(zDimId)));
+ vecNonMappedDims.erase(std::remove_if(vecNonMappedDims.begin(),
+ vecNonMappedDims.end(),
+ findID(zDimId)),
+ vecNonMappedDims.end());
}
Poco::XML::Element *tDimensionElement = geometryXMLElement->getChildElement(
@@ -150,8 +156,10 @@ void MDGeometryXMLParser::execute() {
}
m_tDimension = *tDimensionIt;
if (!vecNonMappedDims.empty()) {
- vecNonMappedDims.erase(std::remove_if(
- vecNonMappedDims.begin(), vecNonMappedDims.end(), findID(tDimId)));
+ vecNonMappedDims.erase(std::remove_if(vecNonMappedDims.begin(),
+ vecNonMappedDims.end(),
+ findID(tDimId)),
+ vecNonMappedDims.end());
}
}
m_vecNonMappedDims = vecNonMappedDims; // Copy with strong guarantee.
diff --git a/Framework/HistogramData/src/CountStandardDeviations.cpp b/Framework/HistogramData/src/CountStandardDeviations.cpp
index 40fc5823bcd4ea06f3a2525bf358587c0018fb02..439692a50a0fe4ef7d767735a13a146abc643b13 100644
--- a/Framework/HistogramData/src/CountStandardDeviations.cpp
+++ b/Framework/HistogramData/src/CountStandardDeviations.cpp
@@ -24,7 +24,7 @@ CountStandardDeviations::CountStandardDeviations(
throw std::logic_error("CountStandardDeviations: Cannot construct from "
"FrequencyStandardDeviations -- BinEdges are NULL.");
if ((frequencies.size() + 1) != edges.size())
- if (frequencies.size() != 0 || edges.size() != 0)
+ if (!frequencies.empty() || !edges.empty())
throw std::logic_error("CountStandardDeviations: Cannot construct from "
"FrequencyStandardDeviations -- BinEdges size "
"does not "
diff --git a/Framework/HistogramData/src/CountVariances.cpp b/Framework/HistogramData/src/CountVariances.cpp
index 3153e6f540e15c08ab1bd0482191ccf8ffb2bfe7..baf7b9c4c558921a25901aec5e1d4c50c63218bf 100644
--- a/Framework/HistogramData/src/CountVariances.cpp
+++ b/Framework/HistogramData/src/CountVariances.cpp
@@ -23,7 +23,7 @@ CountVariances::CountVariances(FrequencyVariances &&frequencies,
throw std::logic_error("CountVariances: Cannot construct from "
"FrequencyVariances -- BinEdges are NULL.");
if ((frequencies.size() + 1) != edges.size())
- if (frequencies.size() != 0 || edges.size() != 0)
+ if (!frequencies.empty() || !edges.empty())
throw std::logic_error("CountVariances: Cannot construct from "
"FrequencyVariances -- BinEdges size does not "
"match.");
diff --git a/Framework/HistogramData/src/Counts.cpp b/Framework/HistogramData/src/Counts.cpp
index f63e47a0da03f21c57883c07a5ad8f0566e87731..3c5b7e0461fc8daec1982dc5d81b142afa8419bb 100644
--- a/Framework/HistogramData/src/Counts.cpp
+++ b/Framework/HistogramData/src/Counts.cpp
@@ -17,7 +17,7 @@ Counts::Counts(Frequencies &&frequencies, const BinEdges &edges) {
throw std::logic_error(
"Counts: Cannot construct from Frequencies -- BinEdges are NULL.");
if ((frequencies.size() + 1) != edges.size())
- if (frequencies.size() != 0 || edges.size() != 0)
+ if (!frequencies.empty() || !edges.empty())
throw std::logic_error("Counts: Cannot construct from Frequencies -- "
"BinEdges size does not match.");
// Cannot move frequencies private data since it is of different type.
diff --git a/Framework/HistogramData/src/Frequencies.cpp b/Framework/HistogramData/src/Frequencies.cpp
index 21b8836351a4a392a0cb226589b4316ddee4705f..6623ee0b2f8e62e2ebee81bbd310400088d324bf 100644
--- a/Framework/HistogramData/src/Frequencies.cpp
+++ b/Framework/HistogramData/src/Frequencies.cpp
@@ -17,7 +17,7 @@ Frequencies::Frequencies(Counts &&counts, const BinEdges &edges) {
throw std::logic_error(
"Frequencies: Cannot construct from Counts -- BinEdges are NULL.");
if ((counts.size() + 1) != edges.size())
- if (counts.size() != 0 || edges.size() != 0)
+ if (!counts.empty() || !edges.empty())
throw std::logic_error("Frequencies: Cannot construct from Counts -- "
"BinEdges size does not match.");
// Cannot move counts private data since it is of different type.
diff --git a/Framework/HistogramData/src/FrequencyStandardDeviations.cpp b/Framework/HistogramData/src/FrequencyStandardDeviations.cpp
index a4b568727b1d96b0f3a6ef51986ee5143ce0b837..99665e08cf84e9a483d07793f88446a83e571904 100644
--- a/Framework/HistogramData/src/FrequencyStandardDeviations.cpp
+++ b/Framework/HistogramData/src/FrequencyStandardDeviations.cpp
@@ -23,7 +23,7 @@ FrequencyStandardDeviations::FrequencyStandardDeviations(
throw std::logic_error("FrequencyStandardDeviations: Cannot construct from "
"CountStandardDeviations -- BinEdges are NULL.");
if ((counts.size() + 1) != edges.size())
- if (counts.size() != 0 || edges.size() != 0)
+ if (!counts.empty() || !edges.empty())
throw std::logic_error("FrequencyStandardDeviations: Cannot construct "
"from CountStandardDeviations -- BinEdges size "
"does not match.");
diff --git a/Framework/HistogramData/src/FrequencyVariances.cpp b/Framework/HistogramData/src/FrequencyVariances.cpp
index 86c7c47bb61678b0be314e8b1f456c5f0882b02e..a68c1c1ac073dad057b5293b0abe06f031e16d14 100644
--- a/Framework/HistogramData/src/FrequencyVariances.cpp
+++ b/Framework/HistogramData/src/FrequencyVariances.cpp
@@ -23,7 +23,7 @@ FrequencyVariances::FrequencyVariances(CountVariances &&counts,
throw std::logic_error("FrequencyVariances: Cannot construct from "
"CountVariances -- BinEdges are NULL.");
if ((counts.size() + 1) != edges.size())
- if (counts.size() != 0 || edges.size() != 0)
+ if (!counts.empty() || !edges.empty())
throw std::logic_error("FrequencyVariances: Cannot construct from "
"CountVariances -- BinEdges size does not match.");
// Cannot move counts private data since it is of different type.
diff --git a/Framework/HistogramData/src/Histogram.cpp b/Framework/HistogramData/src/Histogram.cpp
index d6367b8cd828eeccdf3530a70ece473b25707cd6..80b28a8e525c9dba994193518abe0547ec73d27b 100644
--- a/Framework/HistogramData/src/Histogram.cpp
+++ b/Framework/HistogramData/src/Histogram.cpp
@@ -1,4 +1,5 @@
#include "MantidHistogramData/Histogram.h"
+#include <sstream>
namespace Mantid {
namespace HistogramData {
@@ -251,8 +252,12 @@ template <> void Histogram::checkSize(const BinEdges &binEdges) const {
// 0 points -> 0 edges, otherwise edges are 1 more than points.
if (xMode() == XMode::Points && target > 0)
target++;
- if (target != binEdges.size())
- throw std::logic_error("Histogram: size mismatch of BinEdges\n");
+ if (target != binEdges.size()) {
+ std::stringstream msg;
+ msg << "Histogram: size mismatch of BinEdges: (" << target
+ << " != " << binEdges.size() << ")";
+ throw std::logic_error(msg.str());
+ }
}
/** Resets the size of the internal x, dx, y, and e data structures
diff --git a/Framework/HistogramData/src/Points.cpp b/Framework/HistogramData/src/Points.cpp
index 78edbfac5fb4bd5c442fe3b325b23a0a62fc9849..a375c2c64f944b47d0760fb3281dfb9c521f1779 100644
--- a/Framework/HistogramData/src/Points.cpp
+++ b/Framework/HistogramData/src/Points.cpp
@@ -10,7 +10,7 @@ Points::Points(const BinEdges &edges) {
return;
if (edges.size() == 1)
throw std::logic_error("Points: Cannot construct from BinEdges of size 1");
- if (edges.size() == 0) {
+ if (edges.empty()) {
m_data = Kernel::make_cow<HistogramX>(0);
return;
}
diff --git a/Framework/HistogramData/test/BinEdgesTest.h b/Framework/HistogramData/test/BinEdgesTest.h
index 413d88f7068dc8aed954009bad533deaece4487f..7e78654b584a506852f0e50272d5939312516233 100644
--- a/Framework/HistogramData/test/BinEdgesTest.h
+++ b/Framework/HistogramData/test/BinEdgesTest.h
@@ -18,20 +18,14 @@ public:
void test_has_correct_mixins() {
BinEdges data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::VectorOf<BinEdges, HistogramX> &>(data))));
TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::VectorOf<BinEdges, HistogramX> &>(data)));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Iterable<BinEdges> &>(data));
+ UNUSED_ARG(dynamic_cast<detail::Iterable<BinEdges> &>(data)));
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Offsetable<BinEdges> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<BinEdges> &>(data));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<BinEdges> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<BinEdges> &>(data)));
}
void test_default_constructor() {
diff --git a/Framework/HistogramData/test/CountStandardDeviationsTest.h b/Framework/HistogramData/test/CountStandardDeviationsTest.h
index d0783b46553697a3c0b991f20d4fad66190d7905..171d86f2e02bc599df3fd139b49ae34aeac99c78 100644
--- a/Framework/HistogramData/test/CountStandardDeviationsTest.h
+++ b/Framework/HistogramData/test/CountStandardDeviationsTest.h
@@ -23,16 +23,9 @@ public:
void test_has_correct_mixins() {
CountStandardDeviations data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::StandardDeviationVectorOf<
- CountStandardDeviations, HistogramE, CountVariances> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG((dynamic_cast<detail::StandardDeviationVectorOf<
+ CountStandardDeviations, HistogramE, CountVariances> &>(data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/CountVariancesTest.h b/Framework/HistogramData/test/CountVariancesTest.h
index 175d23547ee914e658a57281a7a9d7dd2804769f..08697996596c849a40ee5f69b6fcf5cb14575c15 100644
--- a/Framework/HistogramData/test/CountVariancesTest.h
+++ b/Framework/HistogramData/test/CountVariancesTest.h
@@ -21,16 +21,8 @@ public:
void test_has_correct_mixins() {
CountVariances data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::VarianceVectorOf<
- CountVariances, HistogramE, CountStandardDeviations> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG((dynamic_cast<detail::VarianceVectorOf<
+ CountVariances, HistogramE, CountStandardDeviations> &>(data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/CountsTest.h b/Framework/HistogramData/test/CountsTest.h
index 6a6784648b3cd532ecef5ea00a136818c33a4079..00786a2f9e8a947f59e3a7181fcf93f77428c805 100644
--- a/Framework/HistogramData/test/CountsTest.h
+++ b/Framework/HistogramData/test/CountsTest.h
@@ -19,20 +19,16 @@ public:
void test_has_correct_mixins() {
Counts data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::VectorOf<Counts, HistogramY> &>(data))));
TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::VectorOf<Counts, HistogramY> &>(data)));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Addable<Counts> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Iterable<Counts> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Offsetable<Counts> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<Counts> &>(data));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::Addable<Counts> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Iterable<Counts> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<Counts> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<Counts> &>(data)));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/FrequenciesTest.h b/Framework/HistogramData/test/FrequenciesTest.h
index 8d9ff78074cac8647eb3e48f94148788f3170680..006c4fd17ee58d899bb38be982aa086680ac3331 100644
--- a/Framework/HistogramData/test/FrequenciesTest.h
+++ b/Framework/HistogramData/test/FrequenciesTest.h
@@ -19,24 +19,16 @@ public:
void test_has_correct_mixins() {
Frequencies data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::VectorOf<Frequencies, HistogramY> &>(data))));
TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::VectorOf<Frequencies, HistogramY> &>(data)));
+ UNUSED_ARG(dynamic_cast<detail::Addable<Frequencies> &>(data)));
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Addable<Frequencies> &>(data));
+ UNUSED_ARG(dynamic_cast<detail::Iterable<Frequencies> &>(data)));
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Iterable<Frequencies> &>(data));
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<Frequencies> &>(data)));
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Offsetable<Frequencies> &>(data));
- TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Scalable<Frequencies> &>(data));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::Scalable<Frequencies> &>(data)));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/FrequencyStandardDeviationsTest.h b/Framework/HistogramData/test/FrequencyStandardDeviationsTest.h
index 881b95c5514a20989e60cd79646ebc9a22df020f..a04daecb360d2d358df6ee5817ed83f24cf0040f 100644
--- a/Framework/HistogramData/test/FrequencyStandardDeviationsTest.h
+++ b/Framework/HistogramData/test/FrequencyStandardDeviationsTest.h
@@ -25,16 +25,10 @@ public:
void test_has_correct_mixins() {
FrequencyStandardDeviations data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::StandardDeviationVectorOf<
- FrequencyStandardDeviations, HistogramE, FrequencyVariances> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG((dynamic_cast<detail::StandardDeviationVectorOf<
+ FrequencyStandardDeviations, HistogramE, FrequencyVariances> &>(
+ data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/FrequencyVariancesTest.h b/Framework/HistogramData/test/FrequencyVariancesTest.h
index af200d8ac84b873447140714108604bc899134c8..4b332e185afec3f5e4b1279188ca88949a8d1ed2 100644
--- a/Framework/HistogramData/test/FrequencyVariancesTest.h
+++ b/Framework/HistogramData/test/FrequencyVariancesTest.h
@@ -23,16 +23,10 @@ public:
void test_has_correct_mixins() {
FrequencyVariances data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::VarianceVectorOf<
- FrequencyVariances, HistogramE, FrequencyStandardDeviations> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::VarianceVectorOf<FrequencyVariances, HistogramE,
+ FrequencyStandardDeviations> &>(
+ data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/HistogramDxTest.h b/Framework/HistogramData/test/HistogramDxTest.h
index 2f149e81c24716032e30e78d15e716a9069e654d..c96fd63eeccfcabaa0c802c99f37b05cdb3f38d4 100644
--- a/Framework/HistogramData/test/HistogramDxTest.h
+++ b/Framework/HistogramData/test/HistogramDxTest.h
@@ -23,16 +23,8 @@ public:
void test_has_correct_mixins() {
HistogramDx dx;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::FixedLengthVector<HistogramDx> &>(dx));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::FixedLengthVector<HistogramDx> &>(dx)));
}
};
diff --git a/Framework/HistogramData/test/HistogramETest.h b/Framework/HistogramData/test/HistogramETest.h
index 873e6e04ffaafc7e811b0b49792c482297607275..d5b05d4d9f4a7de819758750504bb0acfbc2fef2 100644
--- a/Framework/HistogramData/test/HistogramETest.h
+++ b/Framework/HistogramData/test/HistogramETest.h
@@ -24,18 +24,12 @@ public:
void test_has_correct_mixins() {
HistogramE e;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::FixedLengthVector<HistogramE> &>(e));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Addable<HistogramE> &>(e));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<HistogramE> &>(e));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::FixedLengthVector<HistogramE> &>(e)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Addable<HistogramE> &>(e)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<HistogramE> &>(e)));
}
};
diff --git a/Framework/HistogramData/test/HistogramXTest.h b/Framework/HistogramData/test/HistogramXTest.h
index a9fd6d7f909b34209f1f8346a72d6ff4c7294d8a..f92b24d1ba47785be669a304167a3859caf86b50 100644
--- a/Framework/HistogramData/test/HistogramXTest.h
+++ b/Framework/HistogramData/test/HistogramXTest.h
@@ -25,18 +25,12 @@ public:
void test_has_correct_mixins() {
HistogramX x;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::FixedLengthVector<HistogramX> &>(x));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Offsetable<HistogramX> &>(x));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<HistogramX> &>(x));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::FixedLengthVector<HistogramX> &>(x)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<HistogramX> &>(x)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<HistogramX> &>(x)));
}
};
diff --git a/Framework/HistogramData/test/HistogramYTest.h b/Framework/HistogramData/test/HistogramYTest.h
index 8a5c3138d18884b9b26f21b54dc27b87266c51bf..477225b8862ac1ba41f5f6b414a1db7bba23a66b 100644
--- a/Framework/HistogramData/test/HistogramYTest.h
+++ b/Framework/HistogramData/test/HistogramYTest.h
@@ -27,21 +27,16 @@ public:
void test_has_correct_mixins() {
HistogramY y;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::FixedLengthVector<HistogramY> &>(y));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Addable<HistogramY> &>(y));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Offsetable<HistogramY> &>(y));
+ UNUSED_ARG(dynamic_cast<detail::FixedLengthVector<HistogramY> &>(y)));
TS_ASSERT_THROWS_NOTHING(
- dynamic_cast<detail::Multipliable<HistogramY> &>(y));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<HistogramY> &>(y));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::Addable<HistogramY> &>(y)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<HistogramY> &>(y)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Multipliable<HistogramY> &>(y)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<HistogramY> &>(y)));
}
};
diff --git a/Framework/HistogramData/test/PointStandardDeviationsTest.h b/Framework/HistogramData/test/PointStandardDeviationsTest.h
index dd8d8e240232bada644e0e41e13d4b50a95a61eb..160dacba2fb5c6889781fe268a8426aace04ad7d 100644
--- a/Framework/HistogramData/test/PointStandardDeviationsTest.h
+++ b/Framework/HistogramData/test/PointStandardDeviationsTest.h
@@ -19,16 +19,9 @@ public:
void test_has_correct_mixins() {
PointStandardDeviations data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::StandardDeviationVectorOf<
- PointStandardDeviations, HistogramDx, PointVariances> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG((dynamic_cast<detail::StandardDeviationVectorOf<
+ PointStandardDeviations, HistogramDx, PointVariances> &>(data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/PointVariancesTest.h b/Framework/HistogramData/test/PointVariancesTest.h
index c265b79fbcde17147e035f837c11668037a0dabc..82efcbc9e1da5d57ad22bb3e0def2266268dfe8a 100644
--- a/Framework/HistogramData/test/PointVariancesTest.h
+++ b/Framework/HistogramData/test/PointVariancesTest.h
@@ -18,16 +18,8 @@ public:
void test_has_correct_mixins() {
PointVariances data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING((dynamic_cast<detail::VarianceVectorOf<
- PointVariances, HistogramDx, PointStandardDeviations> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG((dynamic_cast<detail::VarianceVectorOf<
+ PointVariances, HistogramDx, PointStandardDeviations> &>(data))));
}
void test_construct_default() {
diff --git a/Framework/HistogramData/test/PointsTest.h b/Framework/HistogramData/test/PointsTest.h
index 7dc9e5f2c16c089fedc29258071bb363469165af..987428df65897a073b011147e8e9b7a55cf975df 100644
--- a/Framework/HistogramData/test/PointsTest.h
+++ b/Framework/HistogramData/test/PointsTest.h
@@ -18,19 +18,14 @@ public:
void test_has_correct_mixins() {
Points data;
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::VectorOf<Points, HistogramX> &>(data))));
TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::VectorOf<Points, HistogramX> &>(data)));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Iterable<Points> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Offsetable<Points> &>(data));
- TS_ASSERT_THROWS_NOTHING(dynamic_cast<detail::Scalable<Points> &>(data));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG(dynamic_cast<detail::Iterable<Points> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Offsetable<Points> &>(data)));
+ TS_ASSERT_THROWS_NOTHING(
+ UNUSED_ARG(dynamic_cast<detail::Scalable<Points> &>(data)));
}
void test_construct_default() {
diff --git a/Framework/Indexing/test/DetectorIDTest.h b/Framework/Indexing/test/DetectorIDTest.h
index eadba5f43553be783846db81baf7a967732c48ac..e8b2abf86ba49c333fa7595325be002725940c3b 100644
--- a/Framework/Indexing/test/DetectorIDTest.h
+++ b/Framework/Indexing/test/DetectorIDTest.h
@@ -17,16 +17,8 @@ public:
void test_has_correct_mixins() {
DetectorID data(0);
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::IndexType<DetectorID, int32_t> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::IndexType<DetectorID, int32_t> &>(data))));
}
};
diff --git a/Framework/Indexing/test/GlobalSpectrumIndexTest.h b/Framework/Indexing/test/GlobalSpectrumIndexTest.h
index e9cd83a339a5d54738aa8e1181bcff205e4de165..70de59bc2f3e4b46a263c65aa8bc6c3212b3acbe 100644
--- a/Framework/Indexing/test/GlobalSpectrumIndexTest.h
+++ b/Framework/Indexing/test/GlobalSpectrumIndexTest.h
@@ -19,16 +19,8 @@ public:
void test_has_correct_mixins() {
GlobalSpectrumIndex data(0);
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::IndexType<GlobalSpectrumIndex, size_t> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG((
+ dynamic_cast<detail::IndexType<GlobalSpectrumIndex, size_t> &>(data))));
}
};
diff --git a/Framework/Indexing/test/PartitionIndexTest.h b/Framework/Indexing/test/PartitionIndexTest.h
index 2aefa6e3501477ec67fa0888e43d38c48dd71e8c..5511b34e5d7b171bd2460a1f9a1fe050c72329ea 100644
--- a/Framework/Indexing/test/PartitionIndexTest.h
+++ b/Framework/Indexing/test/PartitionIndexTest.h
@@ -17,16 +17,8 @@ public:
void test_has_correct_mixins() {
PartitionIndex data(0);
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::IndexType<PartitionIndex, int> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::IndexType<PartitionIndex, int> &>(data))));
}
};
diff --git a/Framework/Indexing/test/SpectrumIndexSetTest.h b/Framework/Indexing/test/SpectrumIndexSetTest.h
index 4f7f8d71b0079540e0ef6c61486710ea8c8fcd4f..4d82c8bcf8154533509f7083b87340d259591223 100644
--- a/Framework/Indexing/test/SpectrumIndexSetTest.h
+++ b/Framework/Indexing/test/SpectrumIndexSetTest.h
@@ -19,16 +19,8 @@ public:
void test_has_correct_mixins() {
SpectrumIndexSet data(0);
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::IndexSet<SpectrumIndexSet> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ UNUSED_ARG((dynamic_cast<detail::IndexSet<SpectrumIndexSet> &>(data))));
}
};
diff --git a/Framework/Indexing/test/SpectrumNumberTest.h b/Framework/Indexing/test/SpectrumNumberTest.h
index 65a2ab1d9892e8270a8948d661ad1fc4b5959125..e42f8d28edb4d3b9e43e6f1b7eb22c6291f0a6d7 100644
--- a/Framework/Indexing/test/SpectrumNumberTest.h
+++ b/Framework/Indexing/test/SpectrumNumberTest.h
@@ -17,16 +17,8 @@ public:
void test_has_correct_mixins() {
SpectrumNumber data(0);
-// AppleClang gives warning if the result is unused.
-#if __clang__
-#pragma clang diagnostic push
-#pragma clang diagnostic ignored "-Wunused-value"
-#endif
- TS_ASSERT_THROWS_NOTHING(
- (dynamic_cast<detail::IndexType<SpectrumNumber, int32_t> &>(data)));
-#if __clang__
-#pragma clang diagnostic pop
-#endif
+ TS_ASSERT_THROWS_NOTHING(UNUSED_ARG(
+ (dynamic_cast<detail::IndexType<SpectrumNumber, int32_t> &>(data))));
}
};
diff --git a/Framework/Kernel/inc/MantidKernel/CompositeValidator.h b/Framework/Kernel/inc/MantidKernel/CompositeValidator.h
index 188109b7769c98d0efff0ad6c7acce0de3957e80..4b8c7b18c9c6078a685b0ef5ea7dc402bae67579 100644
--- a/Framework/Kernel/inc/MantidKernel/CompositeValidator.h
+++ b/Framework/Kernel/inc/MantidKernel/CompositeValidator.h
@@ -39,10 +39,14 @@ namespace Kernel {
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
+
+enum class CompositeRelation { AND = 0, OR = 1 };
+
class DLLExport CompositeValidator : public IValidator {
public:
/// Default constructor
- CompositeValidator();
+ CompositeValidator(
+ const CompositeRelation &relation = CompositeRelation::AND);
/// Destructor
~CompositeValidator() override;
@@ -65,12 +69,22 @@ public:
}
private:
- /// Private Copy constructor: NO DIRECT COPY ALLOWED
- CompositeValidator(const CompositeValidator &);
/// Verify the value with the child validators
std::string check(const boost::any &value) const override;
+ /// Verify the value with the child validators with logical "and"
+ std::string checkLogicalAnd(const boost::any &value) const;
+ /// Verify the value with the child validators with logical "and"
+ std::string checkLogicalOr(const boost::any &value) const;
+ /// build an error message for OR relations
+ std::string buildErrorMessage(const bool valid,
+ const std::string &errors) const;
+ /// Private Copy constructor: NO DIRECT COPY ALLOWED
+ CompositeValidator(const CompositeValidator &);
+
/// A container for the child validators
std::list<IValidator_sptr> m_children;
+ /// Store what relationship child validators have
+ const CompositeRelation m_relation;
};
} // namespace Kernel
diff --git a/Framework/Kernel/inc/MantidKernel/ListValidator.h b/Framework/Kernel/inc/MantidKernel/ListValidator.h
index 696f1a0153f06bf0fdb5cc323014c1633230bf12..136cd4e50c9efff307b923d1cee648a64e299050 100644
--- a/Framework/Kernel/inc/MantidKernel/ListValidator.h
+++ b/Framework/Kernel/inc/MantidKernel/ListValidator.h
@@ -1,16 +1,16 @@
#ifndef MANTID_KERNEL_LISTVALIDATOR_H_
#define MANTID_KERNEL_LISTVALIDATOR_H_
-#include "MantidKernel/TypedValidator.h"
#include "MantidKernel/Exception.h"
+#include "MantidKernel/TypedValidator.h"
#ifndef Q_MOC_RUN
#include <boost/lexical_cast.hpp>
#include <boost/make_shared.hpp>
#endif
-#include <vector>
-#include <set>
#include <map>
+#include <set>
#include <unordered_set>
+#include <vector>
namespace Mantid {
namespace Kernel {
@@ -48,39 +48,12 @@ public:
ListValidator() : TypedValidator<TYPE>(), m_allowMultiSelection(false) {}
/** Constructor
- * @param values :: A set of values consisting of the valid values
- * @param allowMultiSelection :: True if the list allows multi selection
- */
- explicit ListValidator(const std::set<TYPE> &values,
- const bool allowMultiSelection = false)
- : TypedValidator<TYPE>(), m_allowedValues(values.begin(), values.end()),
- m_allowMultiSelection(allowMultiSelection) {
- if (m_allowMultiSelection) {
- throw Kernel::Exception::NotImplementedError(
- "The List Validator does not support Multi selection yet");
- }
- }
-
- /** Constructor
- * @param values :: An unordered set of values consisting of the valid values
- * @param allowMultiSelection :: True if the list allows multi selection
- */
- explicit ListValidator(const std::unordered_set<TYPE> &values,
- const bool allowMultiSelection = false)
- : TypedValidator<TYPE>(), m_allowedValues(values.begin(), values.end()),
- m_allowMultiSelection(allowMultiSelection) {
- if (m_allowMultiSelection) {
- throw Kernel::Exception::NotImplementedError(
- "The List Validator does not support Multi selection yet");
- }
- }
-
- /** Constructor
- * @param values :: A vector of the valid values
+ * @param values :: An iterable type of the valid values
* @param aliases :: Optional aliases for the valid values.
* @param allowMultiSelection :: True if the list allows multi selection
*/
- explicit ListValidator(const std::vector<TYPE> &values,
+ template <typename T>
+ explicit ListValidator(const T &values,
const std::map<std::string, std::string> &aliases =
std::map<std::string, std::string>(),
const bool allowMultiSelection = false)
@@ -97,11 +70,12 @@ public:
aliasIt->second);
if (m_allowMultiSelection) {
throw Kernel::Exception::NotImplementedError(
- "The List Validator does not support Multi selection yet");
+ "The List Validator does not support multi selection yet");
}
}
}
}
+
/// Clone the validator
IValidator_sptr clone() const override {
return boost::make_shared<ListValidator<TYPE>>(*this);
diff --git a/Framework/Kernel/inc/MantidKernel/MultiFileNameParser.h b/Framework/Kernel/inc/MantidKernel/MultiFileNameParser.h
index d9e1cb55eea705867afddb09ba1f580d91a93ec9..4deb73bcceed16b248e9d60b36fdd9f6a8084356 100644
--- a/Framework/Kernel/inc/MantidKernel/MultiFileNameParser.h
+++ b/Framework/Kernel/inc/MantidKernel/MultiFileNameParser.h
@@ -60,7 +60,7 @@ extern const std::string ANY, LIST;
*/
class MANTID_KERNEL_DLL ReverseCaselessCompare {
public:
- bool operator()(const std::string &a, const std::string &b);
+ bool operator()(const std::string &a, const std::string &b) const;
};
/**
diff --git a/Framework/Kernel/inc/MantidKernel/PropertyWithValue.tcc b/Framework/Kernel/inc/MantidKernel/PropertyWithValue.tcc
index 134f38a8d0c9fc4f11c22beb4fde5d9d4ffa1f55..a4902017dbb7104790d56d09cb1a6fcb93393f37 100644
--- a/Framework/Kernel/inc/MantidKernel/PropertyWithValue.tcc
+++ b/Framework/Kernel/inc/MantidKernel/PropertyWithValue.tcc
@@ -271,7 +271,7 @@ TYPE &PropertyWithValue<TYPE>::operator=(const TYPE &value) {
m_value = value;
}
std::string problem = this->isValid();
- if (problem == "") {
+ if (problem.empty()) {
return m_value;
} else if (problem == "_alias") {
m_value = getValueForAlias(value);
diff --git a/Framework/Kernel/inc/MantidKernel/StartsWithValidator.h b/Framework/Kernel/inc/MantidKernel/StartsWithValidator.h
index f304081fb0c5a941ee39988672e56faa2e209448..7d9d5520057a09c85882d474dfe1fe0fe7270909 100644
--- a/Framework/Kernel/inc/MantidKernel/StartsWithValidator.h
+++ b/Framework/Kernel/inc/MantidKernel/StartsWithValidator.h
@@ -42,6 +42,14 @@ public:
StartsWithValidator(const std::set<std::string> &values);
IValidator_sptr clone() const override;
+ /**
+ * Constructor
+ * @param values :: An array with the allowed values
+ */
+ template <std::size_t SIZE>
+ StartsWithValidator(const std::array<std::string, SIZE> &values)
+ : Kernel::StringListValidator(values) {}
+
protected:
std::string checkValidity(const std::string &value) const override;
};
diff --git a/Framework/Kernel/inc/MantidKernel/VectorHelper.h b/Framework/Kernel/inc/MantidKernel/VectorHelper.h
index baaaaf4a65df56e557ab00d4a5c44681d1afa53d..c917ab0f7cc756555f6727cffb3f1cc8a1cae37b 100644
--- a/Framework/Kernel/inc/MantidKernel/VectorHelper.h
+++ b/Framework/Kernel/inc/MantidKernel/VectorHelper.h
@@ -68,6 +68,15 @@ void MANTID_KERNEL_DLL
convertToBinBoundary(const std::vector<double> &bin_centers,
std::vector<double> &bin_edges);
+/// Gets the bin of a value from a vector of bin centers
+size_t MANTID_KERNEL_DLL
+indexOfValueFromCenters(const std::vector<double> &bin_centers,
+ const double value);
+
+/// Gets the bin of a value from a vector of bin edges
+size_t MANTID_KERNEL_DLL
+indexOfValueFromEdges(const std::vector<double> &bin_edges, const double value);
+
bool MANTID_KERNEL_DLL isConstantValue(const std::vector<double> &arra);
/**
diff --git a/Framework/Kernel/src/CompositeValidator.cpp b/Framework/Kernel/src/CompositeValidator.cpp
index b87ecc4f290104bb1ed23eca042d291e5ac90418..f87a060c9e05255f2ec3db053166247c9c2365b4 100644
--- a/Framework/Kernel/src/CompositeValidator.cpp
+++ b/Framework/Kernel/src/CompositeValidator.cpp
@@ -1,4 +1,5 @@
#include "MantidKernel/CompositeValidator.h"
+#include <sstream>
#include <unordered_set>
using namespace Mantid::Kernel;
@@ -6,7 +7,8 @@ using namespace Mantid::Kernel;
namespace Mantid {
namespace Kernel {
/// Default constructor
-CompositeValidator::CompositeValidator() : IValidator(), m_children() {}
+CompositeValidator::CompositeValidator(const CompositeRelation &relation)
+ : IValidator(), m_children(), m_relation(relation) {}
/// Destructor
CompositeValidator::~CompositeValidator() { m_children.clear(); }
@@ -50,7 +52,7 @@ std::vector<std::string> CompositeValidator::allowedValues() const {
*/
Kernel::IValidator_sptr CompositeValidator::clone() const {
boost::shared_ptr<CompositeValidator> copy =
- boost::make_shared<CompositeValidator>();
+ boost::make_shared<CompositeValidator>(m_relation);
for (const auto &itr : m_children) {
copy->add(itr->clone());
}
@@ -69,17 +71,72 @@ void CompositeValidator::add(Kernel::IValidator_sptr child) {
* @return A user level description of the first problem it finds otherwise ""
*/
std::string CompositeValidator::check(const boost::any &value) const {
- auto itrEnd = m_children.end();
- for (auto itr = m_children.begin(); itr != itrEnd; ++itr) {
- std::string error = (*itr)->check(value);
+ switch (m_relation) {
+ case CompositeRelation::AND:
+ return checkLogicalAnd(value);
+ case CompositeRelation::OR:
+ return checkLogicalOr(value);
+ default:
+ throw std::runtime_error("Unimplemented composite validator relation");
+ }
+}
+
+std::string CompositeValidator::checkLogicalAnd(const boost::any &value) const {
+ for (const auto validator : m_children) {
+ const auto error = validator->check(value);
// exit on the first error, to avoid passing doing more tests on invalid
// objects that could fail
- if (error != "")
+ if (!error.empty())
return error;
}
// there were no errors
return "";
}
+std::string CompositeValidator::checkLogicalOr(const boost::any &value) const {
+ std::stringstream errorStream;
+
+ // Lambda to check if a validator is valid. If it is not valid then
+ // capture its error message to a stream so we can potentially print it out
+ // to the user if required.
+ const auto checkIfValid =
+ [&errorStream, &value](const IValidator_sptr validator) {
+ const auto errorMessage = validator->check(value);
+ if (errorMessage.empty()) {
+ return true;
+ } else {
+ // capture error message to possibly later.
+ errorStream << errorMessage << "\n";
+ return false;
+ }
+ };
+
+ const auto valid =
+ std::any_of(m_children.begin(), m_children.end(), checkIfValid);
+ return buildErrorMessage(valid, errorStream.str());
+}
+
+/** Return a user friendly error message
+ *
+ * Returns empty string if no errors were found.
+ *
+ * @param valid :: whether all the validator succeded
+ * @param errors :: the combined list of errors from the child validators
+ * @return a user friendly message with all the child validator messages
+ * combined.
+ */
+std::string
+CompositeValidator::buildErrorMessage(const bool valid,
+ const std::string &errors) const {
+ if (!valid) {
+ return "Invalid property. You must statisfy one of the following "
+ "conditions:\n" +
+ errors;
+ } else {
+ // there were no errors
+ return "";
+ }
+}
+
} // namespace Mantid
} // namespace Kernel
diff --git a/Framework/Kernel/src/ConfigService.cpp b/Framework/Kernel/src/ConfigService.cpp
index 92f5b6b5d4ccb139e745f1f21ee6875600f62774..59ca2639dfb3f5ecfb7605f28ae18f7c238ddf6a 100644
--- a/Framework/Kernel/src/ConfigService.cpp
+++ b/Framework/Kernel/src/ConfigService.cpp
@@ -372,7 +372,7 @@ void ConfigServiceImpl::loadConfig(const std::string &filename,
bool good = readFile(filename, temp);
// check if we have failed to open the file
- if ((!good) || (temp == "")) {
+ if ((!good) || (temp.empty())) {
if (filename == getUserPropertiesDir() + m_user_properties_file_name) {
// write out a fresh file
createUserPropertiesFile();
@@ -382,7 +382,7 @@ void ConfigServiceImpl::loadConfig(const std::string &filename,
}
// store the property string
- if ((append) && (m_PropertyString != "")) {
+ if ((append) && (!m_PropertyString.empty())) {
m_PropertyString = m_PropertyString + "\n" + temp;
} else {
m_PropertyString = temp;
diff --git a/Framework/Kernel/src/DateAndTime.cpp b/Framework/Kernel/src/DateAndTime.cpp
index 904d19ebfdc3e829e4601b7778aa4cfe2163b58d..8d2bd358fc52ca7993fd0aedf0618150192e6413 100644
--- a/Framework/Kernel/src/DateAndTime.cpp
+++ b/Framework/Kernel/src/DateAndTime.cpp
@@ -541,17 +541,23 @@ int DateAndTime::day() const { return to_ptime().date().day(); }
/** Get the hour (0-24) of this time.
* @return the hour
*/
-int DateAndTime::hour() const { return to_ptime().time_of_day().hours(); }
+int DateAndTime::hour() const {
+ return static_cast<int>(to_ptime().time_of_day().hours());
+}
/** Get the minute (0-60) of this time.
* @return the minute
*/
-int DateAndTime::minute() const { return to_ptime().time_of_day().minutes(); }
+int DateAndTime::minute() const {
+ return static_cast<int>(to_ptime().time_of_day().minutes());
+}
/** Get the seconds (0-60) of this time.
* @return the second
*/
-int DateAndTime::second() const { return to_ptime().time_of_day().seconds(); }
+int DateAndTime::second() const {
+ return static_cast<int>(to_ptime().time_of_day().seconds());
+}
/** Get the nanoseconds (remainder, < 1 second) of this time.
* @return the nanoseconds
diff --git a/Framework/Kernel/src/DiskBuffer.cpp b/Framework/Kernel/src/DiskBuffer.cpp
index 28f338f6b3d9fcd7324d6d40387d21ad51666d50..677291daf8ca593f06e7fb9774431f48e0b2abe6 100644
--- a/Framework/Kernel/src/DiskBuffer.cpp
+++ b/Framework/Kernel/src/DiskBuffer.cpp
@@ -367,7 +367,7 @@ void DiskBuffer::setFreeSpaceVector(std::vector<uint64_t> &free) {
throw std::length_error("Free vector size is not a factor of 2.");
for (auto it = free.begin(); it != free.end(); it += 2) {
- auto it_next = boost::next(it);
+ auto it_next = std::next(it);
if (*it == 0 && *it_next == 0) {
continue; // Not really a free space block!
diff --git a/Framework/Kernel/src/MultiFileNameParser.cpp b/Framework/Kernel/src/MultiFileNameParser.cpp
index bb2a7ab4e081b3cae0fb97ecc3d968df4e1e63e0..bed6ddf43b7e8fc73c8b259abaf1b6d3ccdb9c36 100644
--- a/Framework/Kernel/src/MultiFileNameParser.cpp
+++ b/Framework/Kernel/src/MultiFileNameParser.cpp
@@ -176,7 +176,7 @@ std::string suggestWorkspaceName(const std::vector<std::string> &fileNames) {
* overkill.
*/
bool ReverseCaselessCompare::operator()(const std::string &a,
- const std::string &b) {
+ const std::string &b) const {
std::string lowerA(a);
std::string lowerB(b);
diff --git a/Framework/Kernel/src/Property.cpp b/Framework/Kernel/src/Property.cpp
index 336c5434be14fd90e11f131adde434fb368c252d..d375e00ac2d94b84f43b93eb4db658805ab99f78 100644
--- a/Framework/Kernel/src/Property.cpp
+++ b/Framework/Kernel/src/Property.cpp
@@ -3,6 +3,7 @@
#include "MantidKernel/DateAndTime.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/IPropertySettings.h"
+#include "MantidKernel/OptionalBool.h"
#include "MantidKernel/PropertyHistory.h"
#include "MantidKernel/Strings.h"
#include "MantidKernel/TimeSeriesProperty.h"
@@ -343,6 +344,8 @@ std::string getUnmangledTypeName(const std::type_info &type) {
typestrings.emplace(typeid(std::vector<double>).name(), string("dbl list"));
typestrings.emplace(typeid(std::vector<std::vector<string>>).name(),
string("list of str lists"));
+ typestrings.emplace(typeid(OptionalBool).name(),
+ string("optional boolean"));
// Workspaces
typestrings.emplace(typeid(boost::shared_ptr<Workspace>).name(),
diff --git a/Framework/Kernel/src/StartsWithValidator.cpp b/Framework/Kernel/src/StartsWithValidator.cpp
index dfa2d2ccdfe8d1c3a69a2f7d1d8a59fae4ac5a66..829f39b646bc76ff66c8d4844d1e332727dc3bb5 100644
--- a/Framework/Kernel/src/StartsWithValidator.cpp
+++ b/Framework/Kernel/src/StartsWithValidator.cpp
@@ -18,6 +18,7 @@ StartsWithValidator::StartsWithValidator(const std::vector<std::string> &values)
*/
StartsWithValidator::StartsWithValidator(const std::set<std::string> &values)
: Kernel::StringListValidator(values) {}
+
/// Clone the validator
IValidator_sptr StartsWithValidator::clone() const {
return boost::make_shared<StartsWithValidator>(*this);
diff --git a/Framework/Kernel/src/UsageService.cpp b/Framework/Kernel/src/UsageService.cpp
index 5b77d1be8fa7c5f5b337f7777abcfdfe6d687b6b..54ab2d4a49e74e64a2919b2cc2e6fd49f236f7e6 100644
--- a/Framework/Kernel/src/UsageService.cpp
+++ b/Framework/Kernel/src/UsageService.cpp
@@ -263,7 +263,7 @@ std::string UsageServiceImpl::generateFeatureUsageMessage() {
thisFeature["count"] = featureItem.second;
features.append(thisFeature);
}
- if (features.size() > 0) {
+ if (!features.empty()) {
message["features"] = features;
return writer.write(message);
}
diff --git a/Framework/Kernel/src/VectorHelper.cpp b/Framework/Kernel/src/VectorHelper.cpp
index bf0b06d70747bf2c934647f325723379fcf0bd32..199281c7001d7f29413198ce7873792f72dd75f2 100644
--- a/Framework/Kernel/src/VectorHelper.cpp
+++ b/Framework/Kernel/src/VectorHelper.cpp
@@ -397,6 +397,86 @@ void convertToBinBoundary(const std::vector<double> &bin_centers,
bin_edges[n] = bin_centers[n - 1] + (bin_centers[n - 1] - bin_edges[n - 1]);
}
+/** Finds the bin index of a value from the vector of bin centers
+ * without converting the whole array to bin edges.
+ * Assumes the vector is already sorted ascending.
+ * @param bin_centers : vector of bin centers
+ * @param value : input value
+ * @return : the bin index of the value
+ * @throw std::out_of_range : if vector is empty or value is out of it's range
+ * (in bin edge representation)
+ */
+
+size_t indexOfValueFromCenters(const std::vector<double> &bin_centers,
+ const double value) {
+ if (bin_centers.empty()) {
+ throw std::out_of_range("indexOfValue - vector is empty");
+ }
+ if (bin_centers.size() == 1) {
+ // no mean to guess bin size, assuming 1
+ if (value < bin_centers[0] - 0.5 || value > bin_centers[0] + 0.5) {
+ throw std::out_of_range("indexOfValue - value out of range");
+ } else {
+ return 0;
+ }
+ } else {
+ const size_t n = bin_centers.size();
+ const double firstBinLowEdge =
+ bin_centers[0] - 0.5 * (bin_centers[1] - bin_centers[0]);
+ const double lastBinHighEdge =
+ bin_centers[n - 1] + 0.5 * (bin_centers[n - 1] - bin_centers[n - 2]);
+ if (value < firstBinLowEdge || value > lastBinHighEdge) {
+ throw std::out_of_range("indexOfValue - value out of range");
+ } else {
+ const auto it =
+ std::lower_bound(bin_centers.begin(), bin_centers.end(), value);
+ if (it == bin_centers.end()) {
+ return n - 1;
+ }
+ size_t binIndex = std::distance(bin_centers.begin(), it);
+ if (binIndex > 0 &&
+ value <
+ bin_centers[binIndex - 1] +
+ 0.5 * (bin_centers[binIndex] - bin_centers[binIndex - 1])) {
+ binIndex--;
+ }
+ return binIndex;
+ }
+ }
+}
+
+/** Finds the bin index of a value from the vector of bin edges.
+ * Assumes the vector is already sorted ascending.
+ * @param bin_edges : vector of bin centers
+ * @param value : input value
+ * @return : the bin index of the value
+ * @throw std::out_of_range : if vector is empty, contains one element,
+ * or value is out of it's range
+ */
+size_t indexOfValueFromEdges(const std::vector<double> &bin_edges,
+ const double value) {
+ if (bin_edges.empty()) {
+ throw std::out_of_range("indexOfValue - vector is empty");
+ }
+ if (bin_edges.size() == 1) {
+ throw std::out_of_range("indexOfValue - requires at least two bin edges");
+ }
+ if (value < bin_edges.front()) {
+ throw std::out_of_range("indexOfValue - value out of range");
+ }
+ const auto it = std::lower_bound(bin_edges.begin(), bin_edges.end(), value);
+ if (it == bin_edges.end()) {
+ throw std::out_of_range("indexOfValue - value out of range");
+ }
+ // index of closest edge above value is distance of iterator from start
+ size_t edgeIndex = std::distance(bin_edges.begin(), it);
+ // if the element n is the first that is >= value, then the value is in (n-1)
+ // th bin
+ if (edgeIndex > 0)
+ edgeIndex--;
+ return edgeIndex;
+}
+
//-------------------------------------------------------------------------------------------------
/** Assess if all the values in the vector are equal or if there are some
* different values
diff --git a/Framework/Kernel/test/CompositeValidatorTest.h b/Framework/Kernel/test/CompositeValidatorTest.h
index 72f33a82d16bc9d0fd6d262e51ca374b057105b9..ffa1314643277bd582013f35c88bb4db374a51ed 100644
--- a/Framework/Kernel/test/CompositeValidatorTest.h
+++ b/Framework/Kernel/test/CompositeValidatorTest.h
@@ -66,6 +66,22 @@ public:
TS_ASSERT_EQUALS(1, allowed2.size());
TS_ASSERT_EQUALS("b2", *(allowed2.begin()));
}
+
+ void
+ test_Given_TwoValidators_When_CheckIsValid_That_ValidValuesReturnValid() {
+ // Arrange
+ BoundedValidator<int> *val1 = new BoundedValidator<int>(1, 50);
+ BoundedValidator<int> *val2 = new BoundedValidator<int>(60, 100);
+
+ CompositeValidator comp(CompositeRelation::OR);
+ comp.add(IValidator_sptr(val1));
+ comp.add(IValidator_sptr(val2));
+
+ // Assert
+ TS_ASSERT_EQUALS(comp.isValid(30), ""); // In range of val1
+ TS_ASSERT_EQUALS(comp.isValid(70), ""); // In range of val2
+ TS_ASSERT_DIFFERS(comp.isValid(55), ""); // Not in range
+ }
};
#endif /* MANTID_KERNEL_COMPOSITEVALIDATORTEST_H_ */
diff --git a/Framework/Kernel/test/ListValidatorTest.h b/Framework/Kernel/test/ListValidatorTest.h
index 6dddb0f8eb8c450ad4ebcf27cbd29f9d1b3d7c63..93e5b3e57aeb7f85ff2d7a520e0e5f6dc58179dc 100644
--- a/Framework/Kernel/test/ListValidatorTest.h
+++ b/Framework/Kernel/test/ListValidatorTest.h
@@ -20,6 +20,12 @@ public:
TS_ASSERT_EQUALS(v.allowedValues().size(), 3)
}
+ void testArrayConstructor() {
+ std::array<int, 3> arr = {{1, 2, 3}};
+ ListValidator<int> v(arr);
+ TS_ASSERT_EQUALS(v.allowedValues().size(), 3)
+ }
+
void testIsValid() {
StringListValidator v;
TS_ASSERT_EQUALS(v.isValid(""), "Select a value")
diff --git a/Framework/Kernel/test/PropertyWithValueTest.h b/Framework/Kernel/test/PropertyWithValueTest.h
index ad414b6601916b6ad457e779d6bc4c95a8b5b0bf..cb10f5843c471aa57a8213625d98e6227a51ef42 100644
--- a/Framework/Kernel/test/PropertyWithValueTest.h
+++ b/Framework/Kernel/test/PropertyWithValueTest.h
@@ -38,26 +38,31 @@ public:
void testConstructor() {
// Test that all the base class member variables are correctly assigned to
TS_ASSERT(!iProp->name().compare("intProp"));
+ TS_ASSERT(!iProp->type().compare("number"));
TS_ASSERT(!iProp->documentation().compare(""));
TS_ASSERT(typeid(int) == *iProp->type_info());
TS_ASSERT(iProp->isDefault());
TS_ASSERT(!dProp->name().compare("doubleProp"));
+ TS_ASSERT(!dProp->type().compare("number"));
TS_ASSERT(!dProp->documentation().compare(""));
TS_ASSERT(typeid(double) == *dProp->type_info());
TS_ASSERT(dProp->isDefault());
TS_ASSERT(!sProp->name().compare("stringProp"));
+ TS_ASSERT(!sProp->type().compare("string"));
TS_ASSERT(!sProp->documentation().compare(""));
TS_ASSERT(typeid(std::string) == *sProp->type_info());
TS_ASSERT(sProp->isDefault());
TS_ASSERT(!lProp->name().compare("int64Prop"));
+ TS_ASSERT(!lProp->type().compare("number"));
TS_ASSERT(!lProp->documentation().compare(""));
TS_ASSERT(typeid(int64_t) == *lProp->type_info());
TS_ASSERT(lProp->isDefault());
TS_ASSERT(!bProp->name().compare("boolProp"));
+ TS_ASSERT(!bProp->type().compare("optional boolean"));
TS_ASSERT(!bProp->documentation().compare(""));
TS_ASSERT(typeid(OptionalBool) == *bProp->type_info());
TS_ASSERT(bProp->isDefault());
@@ -643,7 +648,7 @@ public:
void test_string_property_alias() {
// system("pause");
- std::vector<std::string> allowedValues{"Hello", "World"};
+ std::array<std::string, 2> allowedValues = {{"Hello", "World"}};
std::map<std::string, std::string> alias{{"1", "Hello"}, {"0", "World"}};
auto validator =
boost::make_shared<ListValidator<std::string>>(allowedValues, alias);
diff --git a/Framework/Kernel/test/StartsWithValidatorTest.h b/Framework/Kernel/test/StartsWithValidatorTest.h
index f9e6bc34199f927a05926b16d1ea716609ce5edf..ae6b355c297f0fed9d6a571e12aa0d030a6c3395 100644
--- a/Framework/Kernel/test/StartsWithValidatorTest.h
+++ b/Framework/Kernel/test/StartsWithValidatorTest.h
@@ -20,6 +20,12 @@ public:
TS_ASSERT_EQUALS(v.allowedValues().size(), 3)
}
+ void testArrayConstructor() {
+ std::array<std::string, 3> arr = {{"one", "two", "three"}};
+ StartsWithValidator v(arr);
+ TS_ASSERT_EQUALS(v.allowedValues().size(), 3);
+ }
+
void testIsValid() {
StartsWithValidator v;
TS_ASSERT_EQUALS(v.isValid(""), "Select a value")
diff --git a/Framework/Kernel/test/VectorHelperTest.h b/Framework/Kernel/test/VectorHelperTest.h
index 5deed794647f21622951a891ceeec19f3efa48ba..416a3bf01e5c42adb228767a99900443ee3650e4 100644
--- a/Framework/Kernel/test/VectorHelperTest.h
+++ b/Framework/Kernel/test/VectorHelperTest.h
@@ -26,6 +26,61 @@ public:
m_test_bins[4] = 3.2;
}
+ void test_indexOfFromEdges() {
+ std::vector<double> single;
+ TS_ASSERT_THROWS_EQUALS(VectorHelper::indexOfValueFromEdges(single, 7.1),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - vector is empty");
+ single.push_back(1.7);
+ TS_ASSERT_THROWS_EQUALS(VectorHelper::indexOfValueFromEdges(single, 4.8),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - requires at least two bin edges");
+
+ TS_ASSERT_THROWS_EQUALS(
+ VectorHelper::indexOfValueFromEdges(m_test_bins, -1.2),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+
+ TS_ASSERT_THROWS_EQUALS(
+ VectorHelper::indexOfValueFromEdges(m_test_bins, 3.3),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+
+ TS_ASSERT_EQUALS(VectorHelper::indexOfValueFromEdges(m_test_bins, 0.55), 1);
+ }
+
+ void test_indexOfFromCenters() {
+ std::vector<double> single;
+ TS_ASSERT_THROWS_EQUALS(VectorHelper::indexOfValueFromCenters(single, 5.9),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - vector is empty");
+ single.push_back(2.5);
+ TS_ASSERT_THROWS_EQUALS(VectorHelper::indexOfValueFromCenters(single, 6.1),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+ TS_ASSERT_THROWS_EQUALS(VectorHelper::indexOfValueFromCenters(single, 1.9),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+ TS_ASSERT_EQUALS(VectorHelper::indexOfValueFromCenters(single, 2.25), 0);
+
+ TS_ASSERT_THROWS_EQUALS(
+ VectorHelper::indexOfValueFromCenters(m_test_bins, -1.56),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+
+ TS_ASSERT_THROWS_EQUALS(
+ VectorHelper::indexOfValueFromCenters(m_test_bins, 4.1),
+ const std::out_of_range &e, std::string(e.what()),
+ "indexOfValue - value out of range");
+
+ TS_ASSERT_EQUALS(VectorHelper::indexOfValueFromCenters(m_test_bins, -1.23),
+ 0);
+ TS_ASSERT_EQUALS(VectorHelper::indexOfValueFromCenters(m_test_bins, 3.98),
+ 4);
+ TS_ASSERT_EQUALS(VectorHelper::indexOfValueFromCenters(m_test_bins, 0.8),
+ 2);
+ }
+
void test_CreateAxisFromRebinParams_Gives_Expected_Number_Bins() {
std::vector<double> rbParams(3);
rbParams[0] = 1;
diff --git a/Framework/LiveData/test/KafkaEventStreamDecoderTest.h b/Framework/LiveData/test/KafkaEventStreamDecoderTest.h
index c65715fff17e430d8f2d6bb53d7f2666f8202862..0f18144b7f78637d63c874aaab281f7de6bf3709 100644
--- a/Framework/LiveData/test/KafkaEventStreamDecoderTest.h
+++ b/Framework/LiveData/test/KafkaEventStreamDecoderTest.h
@@ -227,7 +227,7 @@ private:
TS_ASSERT_THROWS_NOTHING(decoder.startCapture());
{
std::unique_lock<std::mutex> lk(m_callbackMutex);
- this->m_callbackCondition.wait(lk, [this, &decoder, maxIterations]() {
+ this->m_callbackCondition.wait(lk, [this, maxIterations]() {
return this->m_niterations == maxIterations;
});
}
diff --git a/Framework/MDAlgorithms/src/CompareMDWorkspaces.cpp b/Framework/MDAlgorithms/src/CompareMDWorkspaces.cpp
index e11d0a2a9c98131cf29363fb787b4066361e7c5d..943900034c059d7d2c7a6042ced52845479c1b8a 100644
--- a/Framework/MDAlgorithms/src/CompareMDWorkspaces.cpp
+++ b/Framework/MDAlgorithms/src/CompareMDWorkspaces.cpp
@@ -341,7 +341,7 @@ void CompareMDWorkspaces::exec() {
this->doComparison();
- if (m_result != "") {
+ if (!m_result.empty()) {
g_log.notice() << "The workspaces did not match: " << m_result << '\n';
this->setProperty("Equals", false);
} else {
diff --git a/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp b/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp
index e170b8d144017dad4ac7862f2ff28449bb8fab6f..3de5e244c8efcf3cc7366d30f5b97b31b2d8926e 100644
--- a/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp
+++ b/Framework/MDAlgorithms/src/ConvertCWPDMDToSpectra.cpp
@@ -50,8 +50,8 @@ void ConvertCWPDMDToSpectra::init() {
"OutputWorkspace", "", Direction::Output),
"Name of the output workspace for reduced data.");
- std::vector<std::string> vecunits{"2theta", "dSpacing",
- "Momentum Transfer (Q)"};
+ std::array<std::string, 3> vecunits = {
+ {"2theta", "dSpacing", "Momentum Transfer (Q)"}};
auto unitval = boost::make_shared<ListValidator<std::string>>(vecunits);
declareProperty("UnitOutput", "2theta", unitval,
"Unit of the output workspace.");
diff --git a/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp b/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
index ed9c1e50792cf5f10b5daa035bc8fe74a425fcc5..b780964eb5adae2ef0c072b12afe32d534fff444 100644
--- a/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
+++ b/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
@@ -98,10 +98,8 @@ void ConvertMDHistoToMatrixWorkspace::init() {
Direction::Output),
"An output Workspace2D.");
- std::vector<std::string> normalizations(3);
- normalizations[0] = "NoNormalization";
- normalizations[1] = "VolumeNormalization";
- normalizations[2] = "NumEventsNormalization";
+ std::array<std::string, 3> normalizations = {
+ {"NoNormalization", "VolumeNormalization", "NumEventsNormalization"}};
declareProperty("Normalization", normalizations[0],
Kernel::IValidator_sptr(
diff --git a/Framework/MDAlgorithms/src/ConvertSpiceDataToRealSpace.cpp b/Framework/MDAlgorithms/src/ConvertSpiceDataToRealSpace.cpp
index 7c94376470b62f459c9e18aec707e83b985bfecb..266e819cebbc5460b7d44639a261cbca99974e60 100644
--- a/Framework/MDAlgorithms/src/ConvertSpiceDataToRealSpace.cpp
+++ b/Framework/MDAlgorithms/src/ConvertSpiceDataToRealSpace.cpp
@@ -49,7 +49,7 @@ void ConvertSpiceDataToRealSpace::init() {
"input RunInfoWorkspace.");
/// TODO - Add HB2B as it is implemented in future
- std::vector<std::string> allowedinstruments{"HB2A"};
+ std::array<std::string, 1> allowedinstruments = {{"HB2A"}};
auto instrumentvalidator =
boost::make_shared<ListValidator<std::string>>(allowedinstruments);
declareProperty("Instrument", "HB2A", instrumentvalidator,
diff --git a/Framework/MDAlgorithms/src/ConvertToDiffractionMDWorkspace3.cpp b/Framework/MDAlgorithms/src/ConvertToDiffractionMDWorkspace3.cpp
index 3eb926cae75671c33b69422a520973ab76117c8d..639462ab74555749e74240d3b1a2b3383a94f12f 100644
--- a/Framework/MDAlgorithms/src/ConvertToDiffractionMDWorkspace3.cpp
+++ b/Framework/MDAlgorithms/src/ConvertToDiffractionMDWorkspace3.cpp
@@ -70,7 +70,7 @@ void ConvertToDiffractionMDWorkspace3::convertExtents(
minVal[d] = Extents[2 * d + 0];
maxVal[d] = Extents[2 * d + 1];
}
- } else if (Extents.size() == 0) {
+ } else if (Extents.empty()) {
calculateExtentsFromData(minVal, maxVal);
} else
throw std::invalid_argument(
diff --git a/Framework/MDAlgorithms/src/GetSpiceDataRawCountsFromMD.cpp b/Framework/MDAlgorithms/src/GetSpiceDataRawCountsFromMD.cpp
index 5aa42b74c70984d455c256463ef0fd52fa55d423..6e71b65b7890d31d52484873a2de24ca5e7e6e25 100644
--- a/Framework/MDAlgorithms/src/GetSpiceDataRawCountsFromMD.cpp
+++ b/Framework/MDAlgorithms/src/GetSpiceDataRawCountsFromMD.cpp
@@ -40,7 +40,7 @@ void GetSpiceDataRawCountsFromMD::init() {
Direction::Output),
"Name of the output MatrixWorkspace containing the raw data required.");
- std::vector<std::string> vecmode{"Pt.", "Detector", "Sample Log"};
+ std::array<std::string, 3> vecmode = {{"Pt.", "Detector", "Sample Log"}};
auto modevalidator = boost::make_shared<ListValidator<std::string>>(vecmode);
declareProperty(
"Mode", "Detector", modevalidator,
diff --git a/Framework/MDAlgorithms/src/Integrate3DEvents.cpp b/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
index 60178eb2fed080109d67838e00033f81baed3960..c59cb394f431e2719ac470f1e8a7c23fd3dabeb4 100644
--- a/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
+++ b/Framework/MDAlgorithms/src/Integrate3DEvents.cpp
@@ -98,9 +98,9 @@ Integrate3DEvents::integrateStrongPeak(const IntegrationParameters ¶ms,
std::vector<V3D> eigen_vectors;
getEigenVectors(cov_matrix, eigen_vectors);
- std::vector<double> sigmas;
+ std::vector<double> sigmas(3);
for (int i = 0; i < 3; i++) {
- sigmas.push_back(stdDev(events, eigen_vectors[i], params.regionRadius));
+ sigmas[i] = stdDev(events, eigen_vectors[i], params.regionRadius);
}
bool invalid_peak =
@@ -248,9 +248,9 @@ double Integrate3DEvents::estimateSignalToNoiseRatio(
std::vector<V3D> eigen_vectors;
getEigenVectors(cov_matrix, eigen_vectors);
- std::vector<double> sigmas;
+ std::vector<double> sigmas(3);
for (int i = 0; i < 3; i++) {
- sigmas.push_back(stdDev(events, eigen_vectors[i], params.regionRadius));
+ sigmas[i] = stdDev(events, eigen_vectors[i], params.regionRadius);
}
const auto max_sigma = *std::max_element(sigmas.begin(), sigmas.end());
@@ -404,9 +404,9 @@ Integrate3DEvents::ellipseIntegrateEvents(
std::vector<V3D> eigen_vectors;
getEigenVectors(cov_matrix, eigen_vectors);
- std::vector<double> sigmas;
+ std::vector<double> sigmas(3);
for (int i = 0; i < 3; i++) {
- sigmas.push_back(stdDev(some_events, eigen_vectors[i], m_radius));
+ sigmas[i] = stdDev(some_events, eigen_vectors[i], m_radius);
}
bool invalid_peak =
diff --git a/Framework/MDAlgorithms/src/SmoothMD.cpp b/Framework/MDAlgorithms/src/SmoothMD.cpp
index 923c59fac92083eef4849df6221b95b83ee89bdb..2b84722ff26cba35ece324fd945a1bac478106d5 100644
--- a/Framework/MDAlgorithms/src/SmoothMD.cpp
+++ b/Framework/MDAlgorithms/src/SmoothMD.cpp
@@ -49,17 +49,6 @@ typedef std::map<std::string, SmoothFunction> SmoothFunctionMap;
namespace {
-/**
- * @brief functions
- * @return Allowed smoothing functions
- */
-std::vector<std::string> functions() {
- std::vector<std::string> propOptions;
- propOptions.push_back("Hat");
- propOptions.push_back("Gaussian");
- return propOptions;
-}
-
/**
* Maps a function name to a smoothing function
* @return function map
@@ -414,7 +403,7 @@ void SmoothMD::init() {
"dimension, or provide a single entry (n-pixels) for all "
"dimensions. Must be odd integers if Hat function is chosen.");
- const auto allFunctionTypes = functions();
+ const std::array<std::string, 2> allFunctionTypes = {{"Hat", "Gaussian"}};
const std::string first = allFunctionTypes.front();
std::stringstream docBuffer;
@@ -426,7 +415,7 @@ void SmoothMD::init() {
Direction::Input),
docBuffer.str());
- std::vector<std::string> unitOptions = {"pixels"};
+ std::array<std::string, 1> unitOptions = {{"pixels"}};
std::stringstream docUnits;
docUnits << "The units that WidthVector has been specified in. Allowed "
diff --git a/Framework/Nexus/src/NexusFileIO.cpp b/Framework/Nexus/src/NexusFileIO.cpp
index 502ab8330ec4a90527813dfe3382817c877bc0ea..e373e252dbb4b65913fe202969850358a9c6a311 100644
--- a/Framework/Nexus/src/NexusFileIO.cpp
+++ b/Framework/Nexus/src/NexusFileIO.cpp
@@ -264,7 +264,7 @@ bool NexusFileIO::writeNxNote(const std::string ¬eName,
m_filehandle->makeGroup(noteName, "NXnote", true);
std::vector<std::string> attributes, avalues;
- if (date != "") {
+ if (!date.empty()) {
attributes.emplace_back("date");
avalues.push_back(date);
}
diff --git a/Framework/Properties/Mantid.properties.template b/Framework/Properties/Mantid.properties.template
index 1c43db9424f4365395f8d03f50c4797c1b27db2e..a99e33e40433e7a7c4016ff9053085ca3c742539 100644
--- a/Framework/Properties/Mantid.properties.template
+++ b/Framework/Properties/Mantid.properties.template
@@ -20,7 +20,8 @@ default.instrument =
Q.convention = Inelastic
# Set of PyQt interfaces to add to the Interfaces menu, separated by a space. Interfaces are seperated from their respective categories by a "/".
-mantidqt.python_interfaces = Direct/DGS_Reduction.py Direct/DGSPlanner.py Direct/PyChop.py SANS/ORNL_SANS.py Reflectometry/REFL_Reduction.py Reflectometry/REFL_SF_Calculator.py Reflectometry/REFM_Reduction.py Utility/TofConverter.py Reflectometry/ISIS_Reflectometry_Old.py Diffraction/Powder_Diffraction_Reduction.py Utility/FilterEvents.py Diffraction/HFIR_Powder_Diffraction_Reduction.py Diffraction/HFIR_4Circle_Reduction.py Utility/QECoverage.py SANS/ISIS_SANS_v2_experimental.py
+mantidqt.python_interfaces = Direct/DGS_Reduction.py Direct/DGSPlanner.py Direct/PyChop.py SANS/ORNL_SANS.py Reflectometry/REFL_Reduction.py Reflectometry/REFL_SF_Calculator.py Reflectometry/REFM_Reduction.py Utility/TofConverter.py Reflectometry/ISIS_Reflectometry_Old.py Diffraction/Powder_Diffraction_Reduction.py Utility/FilterEvents.py Diffraction/HFIR_Powder_Diffraction_Reduction.py Diffraction/HFIR_4Circle_Reduction.py Utility/QECoverage.py SANS/ISIS_SANS_v2_experimental.py Muon/Frequency_Domain_Analysis.py
+
mantidqt.python_interfaces_directory = @MANTID_ROOT@/scripts
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/IAlgorithm.cpp b/Framework/PythonInterface/mantid/api/src/Exports/IAlgorithm.cpp
index 889e326b37407529948cd91e19f6da1a88b608af..6115a7a2561c14ec7e23ea0d510e92633f980f0f 100644
--- a/Framework/PythonInterface/mantid/api/src/Exports/IAlgorithm.cpp
+++ b/Framework/PythonInterface/mantid/api/src/Exports/IAlgorithm.cpp
@@ -93,7 +93,7 @@ struct MandatoryFirst {
/// in the list
bool operator()(const Property *p1, const Property *p2) const {
// this is false, unless p1 is not valid and p2 is valid
- return (p1->isValid() != "") && (p2->isValid() == "");
+ return (!p1->isValid().empty()) && (p2->isValid().empty());
}
};
diff --git a/Framework/PythonInterface/mantid/kernel/src/Exports/CompositeValidator.cpp b/Framework/PythonInterface/mantid/kernel/src/Exports/CompositeValidator.cpp
index efbbc6e390ba34213a94dabecf120730c803acef..1ef2d87f8c39f09a43e377d9ff6efa3ea9c5edab 100644
--- a/Framework/PythonInterface/mantid/kernel/src/Exports/CompositeValidator.cpp
+++ b/Framework/PythonInterface/mantid/kernel/src/Exports/CompositeValidator.cpp
@@ -1,10 +1,12 @@
#include "MantidKernel/CompositeValidator.h"
#include <boost/python/class.hpp>
+#include <boost/python/default_call_policies.hpp>
+#include <boost/python/enum.hpp>
#include <boost/python/list.hpp>
#include <boost/python/make_constructor.hpp>
-#include <boost/python/default_call_policies.hpp>
using Mantid::Kernel::CompositeValidator;
+using Mantid::Kernel::CompositeRelation;
using Mantid::Kernel::IValidator;
using Mantid::Kernel::IValidator_sptr;
using namespace boost::python;
@@ -14,9 +16,10 @@ namespace {
* Creates a composite validator from a python list of validators
*/
CompositeValidator *
-createCompositeValidator(const boost::python::list &validators) {
+createCompositeValidator(const boost::python::list &validators,
+ const CompositeRelation &relation) {
namespace bpl = boost::python;
- auto composite = new CompositeValidator;
+ auto composite = new CompositeValidator(relation);
const bpl::ssize_t nitems = bpl::len(validators);
for (bpl::ssize_t i = 0; i < nitems; ++i) {
try {
@@ -32,12 +35,16 @@ createCompositeValidator(const boost::python::list &validators) {
}
void export_CompositeValidator() {
+ enum_<CompositeRelation>("CompositeRelation")
+ .value("AND", CompositeRelation::AND)
+ .value("OR", CompositeRelation::OR);
+
class_<CompositeValidator, bases<IValidator>, boost::noncopyable>(
"CompositeValidator")
.def("__init__",
- make_constructor(&createCompositeValidator, default_call_policies(),
- (arg("validators"))))
-
+ make_constructor(
+ &createCompositeValidator, default_call_policies(),
+ (arg("validators"), arg("relation") = CompositeRelation::AND)))
.def("add", (void (CompositeValidator::*)(IValidator_sptr)) &
CompositeValidator::add,
(arg("self"), arg("other")), "Add another validator to the list");
diff --git a/Framework/PythonInterface/plugins/algorithms/Abins.py b/Framework/PythonInterface/plugins/algorithms/Abins.py
index eab621faf5d58496cf848f39bff03160b8eae1fb..92b7568a2d2a4f99dba19460b8f1de68215a8dc5 100644
--- a/Framework/PythonInterface/plugins/algorithms/Abins.py
+++ b/Framework/PythonInterface/plugins/algorithms/Abins.py
@@ -52,13 +52,13 @@ class Abins(PythonAlgorithm):
self.declareProperty(name="DFTprogram",
direction=Direction.Input,
defaultValue="CASTEP",
- validator=StringListValidator(["CASTEP", "CRYSTAL", "DMOL3"]),
+ validator=StringListValidator(["CASTEP", "CRYSTAL", "DMOL3", "GAUSSIAN"]),
doc="DFT program which was used for a phonon calculation.")
self.declareProperty(FileProperty("PhononFile", "",
action=FileAction.Load,
direction=Direction.Input,
- extensions=["phonon", "out", "outmol"]),
+ extensions=["phonon", "out", "outmol", "log"]),
doc="File with the data from a phonon calculation.")
self.declareProperty(FileProperty("ExperimentalFile", "",
@@ -117,7 +117,8 @@ class Abins(PythonAlgorithm):
input_file_validators = {"CASTEP": self._validate_castep_input_file,
"CRYSTAL": self._validate_crystal_input_file,
- "DMOL3": self._validate_dmol3_input_file}
+ "DMOL3": self._validate_dmol3_input_file,
+ "GAUSSIAN": self._validate_gaussian_input_file}
issues = dict()
@@ -167,7 +168,7 @@ class Abins(PythonAlgorithm):
# 2) read DFT data
dft_loaders = {"CASTEP": AbinsModules.LoadCASTEP, "CRYSTAL": AbinsModules.LoadCRYSTAL,
- "DMOL3": AbinsModules.LoadDMOL3}
+ "DMOL3": AbinsModules.LoadDMOL3, "GAUSSIAN": AbinsModules.LoadGAUSSIAN}
dft_reader = dft_loaders[self._dft_program](input_dft_filename=self._phonon_file)
dft_data = dft_reader.get_formatted_data()
prog_reporter.report("Phonon data has been read.")
@@ -237,9 +238,9 @@ class Abins(PythonAlgorithm):
"""
Creates workspaces for all types of atoms. Creates both partial and total workspaces for all types of atoms.
- @param atoms_symbols: list of atom types for which S should be created
- @param s_data: dynamical factor data of type SData
- @return: workspaces for list of atoms types, S for the particular type of atom
+ :param atoms_symbols: list of atom types for which S should be created
+ :param s_data: dynamical factor data of type SData
+ :returns: workspaces for list of atoms types, S for the particular type of atom
"""
s_data_extracted = s_data.extract()
shape = [self._num_quantum_order_events]
@@ -291,9 +292,9 @@ class Abins(PythonAlgorithm):
Creates workspaces for all types of atoms. Each workspace stores quantum order events for S for the given
type of atom. It also stores total workspace for the given type of atom.
- @param atoms_symbols: list of atom types for which quantum order events of S should be calculated
- @param s_data: dynamical factor data of type SData
- @return: workspaces for list of atoms types, each workspace contains quantum order events of
+ :param atoms_symbols: list of atom types for which quantum order events of S should be calculated
+ :param s_data: dynamical factor data of type SData
+ :returns: workspaces for list of atoms types, each workspace contains quantum order events of
S for the particular atom type
"""
@@ -302,8 +303,8 @@ class Abins(PythonAlgorithm):
def _fill_s_workspace(self, s_points=None, workspace=None, atom_name=None):
"""
Puts S into workspace(s).
- @param s_points: dynamical factor for the given atom
- @param workspace: workspace to be filled with S
+ :param s_points: dynamical factor for the given atom
+ :param workspace: workspace to be filled with S
"""
if self._instrument.get_name() in AbinsModules.AbinsConstants.ONE_DIMENSIONAL_INSTRUMENTS:
# only FUNDAMENTALS
@@ -356,7 +357,7 @@ class Abins(PythonAlgorithm):
"""
Calculates cross section for the given element.
:param atom_name: symbol of element
- :return: cross section for that element
+ :returns: cross section for that element
"""
atom = Atom(symbol=atom_name)
cross_section = None
@@ -374,7 +375,7 @@ class Abins(PythonAlgorithm):
"""
Sets workspace with total S.
:param partial_workspaces: list of workspaces which should be summed up to obtain total workspace
- :return: workspace with total S from partial_workspaces
+ :returns: workspace with total S from partial_workspaces
"""
total_workspace = self._out_ws_name + "_total"
@@ -411,11 +412,11 @@ class Abins(PythonAlgorithm):
Creates workspace for the given frequencies and s_points with S data. After workspace is created it is rebined,
scaled by cross-section factor and optionally multiplied by the user defined scaling factor.
- @param atom_name: symbol of atom for which workspace should be created
- @param frequencies: frequencies in the form of numpy array for which S(Q, omega) can be plotted
- @param s_points: S(Q, omega)
- @param optional_name: optional part of workspace name
- @return: workspace for the given frequency and S data
+ :param atom_name: symbol of atom for which workspace should be created
+ :param frequencies: frequencies in the form of numpy array for which S(Q, omega) can be plotted
+ :param s_points: S(Q, omega)
+ :param optional_name: optional part of workspace name
+ :returns: workspace for the given frequency and S data
"""
ws_name = self._out_ws_name + "_" + atom_name + optional_name
@@ -426,7 +427,7 @@ class Abins(PythonAlgorithm):
def _create_experimental_data_workspace(self):
"""
Loads experimental data into workspaces.
- @return: workspace with experimental data
+ :returns: workspace with experimental data
"""
experimental_wrk = Load(self._experimental_file)
self._set_workspace_units(wrk=experimental_wrk.name())
@@ -596,51 +597,56 @@ class Abins(PythonAlgorithm):
if not (isinstance(threads, six.integer_types) and 1 <= threads <= mp.cpu_count()):
raise RuntimeError("Invalid number of threads for parallelisation over atoms" + message_end)
- def _validate_dmol3_input_file(self, filename_full_path=None):
+ def _validate_dft_file_extension(self, filename_full_path=None, expected_file_extension=None):
"""
- Method to validate input file for DMOL3 DFT program.
- @param filename_full_path: full path of a file to check.
- @return: True if file is valid otherwise false.
+ Checks consistency between name of DFT program and extension.
+ :param dft_program: name of DFT program in the form of string
+ :param expected_file_extension: file extension
+ :returns: dictionary with error message
"""
- logger.information("Validate DMOL3 phonon file: ")
-
- output = {"Invalid": False, "Comment": ""}
+ dft_program = self.getProperty("DFTprogram").value
msg_err = "Invalid %s file. " % filename_full_path
msg_rename = "Please rename your file and try again."
- dft_program = self.getProperty("DFTprogram").value
-
# check extension of a file
- filename_ext = os.path.splitext(filename_full_path)[1]
- if filename_ext != ".outmol":
+ found_filename_ext = os.path.splitext(filename_full_path)[1]
+ if found_filename_ext != expected_file_extension:
return dict(Invalid=True,
Comment=msg_err + "Output from DFT program " + dft_program + " is expected." +
- " The expected extension of file is .outmol. Found: " + filename_ext + ". " +
- msg_rename)
- return output
+ " The expected extension of file is ." + expected_file_extension +
+ ". Found: " + found_filename_ext + ". " + msg_rename)
+ else:
+ return dict(Invalid=False, Comment="")
+
+ def _validate_dmol3_input_file(self, filename_full_path=None):
+ """
+ Method to validate input file for DMOL3 DFT program.
+ :param filename_full_path: full path of a file to check.
+ :returns: True if file is valid otherwise false.
+ """
+ logger.information("Validate DMOL3 phonon file: ")
+ return self._validate_dft_file_extension(filename_full_path=filename_full_path,
+ expected_file_extension=".outmol")
+
+ def _validate_gaussian_input_file(self, filename_full_path=None):
+ """
+ Method to validate input file for GAUSSIAN DFT program.
+ :param filename_full_path: full path of a file to check.
+ :returns: True if file is valid otherwise false.
+ """
+ logger.information("Validate GAUSSIAN file with vibration data: ")
+ return self._validate_dft_file_extension(filename_full_path=filename_full_path,
+ expected_file_extension=".log")
def _validate_crystal_input_file(self, filename_full_path=None):
"""
Method to validate input file for CRYSTAL DFT program.
- @param filename_full_path: full path of a file to check.
- @return: True if file is valid otherwise false.
+ :param filename_full_path: full path of a file to check.
+ :returns: True if file is valid otherwise false.
"""
logger.information("Validate CRYSTAL phonon file: ")
-
- output = {"Invalid": False, "Comment": ""}
- msg_err = "Invalid %s file. " % filename_full_path
- msg_rename = "Please rename your file and try again."
-
- dft_program = self.getProperty("DFTprogram").value
-
- # check extension of a file
- filename_ext = os.path.splitext(filename_full_path)[1]
- if filename_ext != ".out":
- return dict(Invalid=True,
- Comment=msg_err + "Output from DFT program " + dft_program + " is expected." +
- " The expected extension of file is .out. Found: " + filename_ext + ". " +
- msg_rename)
- return output
+ return self._validate_dft_file_extension(filename_full_path=filename_full_path,
+ expected_file_extension=".out")
def _validate_castep_input_file(self, filename_full_path=None):
"""
@@ -649,24 +655,15 @@ class Abins(PythonAlgorithm):
:param filename_full_path: full path of a file to check
- :return: Dictionary with two entries "Invalid", "Comment". Valid key can have two values: True/ False. As it
+ :returns: Dictionary with two entries "Invalid", "Comment". Valid key can have two values: True/ False. As it
comes to "Comment" it is an empty string if Valid:True, otherwise stores description of the problem.
"""
logger.information("Validate CASTEP phonon file: ")
-
- output = {"Invalid": False, "Comment": ""}
msg_err = "Invalid %s file. " % filename_full_path
- msg_rename = "Please rename your file and try again."
-
- dft_program = self.getProperty("DFTprogram").value
-
- # check extension of a file
- filename_ext = os.path.splitext(filename_full_path)[1]
- if filename_ext != ".phonon":
- return dict(Invalid=True,
- Comment=msg_err + "Output from DFT program " + dft_program + " is expected." +
- " The expected extension of file is .phonon. Found: " + filename_ext + ". " +
- msg_rename)
+ output = self._validate_dft_file_extension(filename_full_path=filename_full_path,
+ expected_file_extension=".phonon")
+ if output["Invalid"]:
+ return output
# check a structure of the header part of file.
# Here fortran convention is followed: case of letter does not matter
@@ -699,7 +696,7 @@ class Abins(PythonAlgorithm):
"""
:param file_obj: file object from which reading is done
- :return: string containing one non empty line
+ :returns: string containing one non empty line
"""
line = file_obj.readline().replace(" ", "").lower()
@@ -714,7 +711,7 @@ class Abins(PythonAlgorithm):
:param one_line: line in the for mof string to be compared
:param pattern: string which should be present in the line after removing white spaces and setting all
letters to lower case
- :return: True is pattern present in the line, otherwise False
+ :returns: True is pattern present in the line, otherwise False
"""
return one_line and pattern in one_line.replace(" ", "")
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShielding.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShielding.py
new file mode 100644
index 0000000000000000000000000000000000000000..9168e0fe7fb0dc5f008062fa7e6ebe9a674be1fc
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShielding.py
@@ -0,0 +1,169 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, InstrumentValidator, MatrixWorkspaceProperty,
+ Progress, PropertyMode, WorkspaceProperty, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direction, FloatBoundedValidator, StringListValidator)
+from mantid.simpleapi import (CreateSingleValuedWorkspace, Divide, Minus, Multiply)
+
+
+def _subtractEC(ws, ecWS, ecScaling, wsNames, wsCleanup, algorithmLogging):
+ """Subtract empty container."""
+ # out = in - ecScaling * EC
+ scalingWSName = wsNames.withSuffix('ecScaling')
+ scalingWS = CreateSingleValuedWorkspace(OutputWorkspace=scalingWSName,
+ DataValue=ecScaling,
+ EnableLogging=algorithmLogging)
+ scaledECWSName = wsNames.withSuffix('scaled_EC')
+ scaledECWS = Multiply(LHSWorkspace=ecWS,
+ RHSWorkspace=scalingWS,
+ OutputWorkspace=scaledECWSName,
+ EnableLogging=algorithmLogging)
+ ecSubtractedWSName = wsNames.withSuffix('EC_subtracted')
+ ecSubtractedWS = Minus(LHSWorkspace=ws,
+ RHSWorkspace=scaledECWS,
+ OutputWorkspace=ecSubtractedWSName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(scalingWS)
+ wsCleanup.cleanup(scaledECWS)
+ return ecSubtractedWS
+
+
+class DirectILLApplySelfShielding(DataProcessorAlgorithm):
+ """A data reduction workflow algorithm for the direct geometry TOF spectrometers at ILL."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLApplySelfShielding'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'Applies empty container subtraction and self-shielding corrections.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Executes the data reduction workflow."""
+ progress = Progress(self, 0.0, 1.0, 4)
+ subalgLogging = False
+ if self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON:
+ subalgLogging = True
+ wsNamePrefix = self.getProperty(common.PROP_OUTPUT_WS).valueAsStr
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsNames = common.NameSource(wsNamePrefix, cleanupMode)
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ progress.report('Loading inputs')
+ mainWS = self._inputWS(wsCleanup)
+
+ progress.report('Applying self shielding corrections')
+ mainWS = self._applyCorrections(mainWS, wsNames, wsCleanup, subalgLogging)
+
+ progress.report('Subtracting EC')
+ mainWS = self._subtractEC(mainWS, wsNames, wsCleanup, subalgLogging)
+
+ self._finalize(mainWS, wsCleanup)
+ progress.report('Done')
+
+ def PyInit(self):
+ """Initialize the algorithm's input and output properties."""
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+ scalingFactor = FloatBoundedValidator(lower=0, upper=1)
+
+ # Properties.
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ direction=Direction.Input),
+ doc='Input workspace.')
+ self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='The output of the algorithm.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_EC_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Reduced empty container workspace.')
+ self.declareProperty(name=common.PROP_EC_SCALING,
+ defaultValue=1.0,
+ validator=scalingFactor,
+ direction=Direction.Input,
+ doc='Scaling factor (transmission, if no self ' +
+ 'shielding is applied) for empty container.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_SELF_SHIELDING_CORRECTION_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='A workspace containing self shielding correction factors.')
+
+ def _applyCorrections(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Applies self shielding corrections to a workspace, if corrections exist."""
+ if self.getProperty(common.PROP_SELF_SHIELDING_CORRECTION_WS).isDefault:
+ return mainWS
+ correctionWS = self.getProperty(common.PROP_SELF_SHIELDING_CORRECTION_WS).value
+ correctedWSName = wsNames.withSuffix('self_shielding_corrected')
+ correctedWS = Divide(LHSWorkspace=mainWS,
+ RHSWorkspace=correctionWS,
+ OutputWorkspace=correctedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return correctedWS
+
+ def _finalize(self, outWS, wsCleanup):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+
+ def _inputWS(self, wsCleanup):
+ """Return the raw input workspace."""
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _subtractEC(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Subtract the empty container workspace without self-shielding corrections."""
+ if self.getProperty(common.PROP_EC_WS).isDefault:
+ return mainWS
+ ecWS = self.getProperty(common.PROP_EC_WS).value
+ ecScaling = self.getProperty(common.PROP_EC_SCALING).value
+ subtractedWS = _subtractEC(mainWS, ecWS, ecScaling, wsNames, wsCleanup, subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return subtractedWS
+
+
+AlgorithmFactory.subscribe(DirectILLApplySelfShielding)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectData.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectData.py
new file mode 100644
index 0000000000000000000000000000000000000000..4f0041d8a20621f610bbdf46b962340bc582e2a9
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectData.py
@@ -0,0 +1,840 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, FileAction, InstrumentValidator,
+ ITableWorkspaceProperty, MatrixWorkspaceProperty, MultipleFileProperty, Progress, PropertyMode,
+ WorkspaceProperty, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direct, Direction, FloatBoundedValidator, IntBoundedValidator, IntArrayBoundedValidator,
+ IntMandatoryValidator, Property, StringListValidator, UnitConversion)
+from mantid.simpleapi import (AddSampleLog, CalculateFlatBackground, CloneWorkspace, CorrectTOFAxis, CreateEPP, CreateSingleValuedWorkspace,
+ CreateWorkspace, CropWorkspace, Divide, ExtractMonitors, FindEPP, GetEiMonDet, LoadILLTOF, MergeRuns, Minus,
+ NormaliseToMonitor, Scale)
+import numpy
+import os.path
+
+
+def _applyIncidentEnergyCalibration(ws, wsType, eiWS, wsNames, report,
+ algorithmLogging):
+ """Update incident energy and wavelength in the sample logs."""
+ originalEnergy = ws.getRun().getLogData('Ei').value
+ originalWavelength = ws.getRun().getLogData('wavelength').value
+ energy = eiWS.readY(0)[0]
+ wavelength = UnitConversion.run('Energy', 'Wavelength', energy, 0, 0, 0, Direct, 5)
+ if wsType == common.WS_CONTENT_DETS:
+ calibratedWSName = wsNames.withSuffix('incident_energy_calibrated_detectors')
+ elif wsType == common.WS_CONTENT_MONS:
+ calibratedWSName = wsNames.withSuffix('incident_energy_calibrated_monitors')
+ else:
+ raise RuntimeError('Unknown workspace content type')
+ calibratedWS = CloneWorkspace(InputWorkspace=ws,
+ OutputWorkspace=calibratedWSName,
+ EnableLogging=algorithmLogging)
+ AddSampleLog(Workspace=calibratedWS,
+ LogName='Ei',
+ LogText=str(energy),
+ LogType='Number',
+ NumberType='Double',
+ LogUnit='meV',
+ EnableLogging=algorithmLogging)
+ AddSampleLog(Workspace=calibratedWS,
+ Logname='wavelength',
+ LogText=str(wavelength),
+ LogType='Number',
+ NumberType='Double',
+ LogUnit='Ångström',
+ EnableLogging=algorithmLogging)
+ report.notice("Applied Ei calibration to '" + str(ws) + "'.")
+ report.notice('Original Ei: {} new Ei: {}.'.format(originalEnergy, energy))
+ report.notice('Original wavelength: {} new wavelength {}.'.format(originalWavelength, wavelength))
+ return calibratedWS
+
+
+def _calculateEPP(ws, sigma, wsNames, algorithmLogging):
+ eppWSName = wsNames.withSuffix('epp_detectors')
+ eppWS = CreateEPP(InputWorkspace=ws,
+ OutputWorkspace=eppWSName,
+ Sigma=sigma,
+ EnableLogging=algorithmLogging)
+ return eppWS
+
+
+def _calibratedIncidentEnergy(detWorkspace, detEPPWorkspace, monWorkspace, monEPPWorkspace,
+ eiCalibrationMon, wsNames, log, algorithmLogging):
+ """Return the calibrated incident energy."""
+ instrument = detWorkspace.getInstrument().getName()
+ eiWorkspace = None
+ if instrument in ['IN4', 'IN6']:
+ eiCalibrationDets = [i for i in range(detWorkspace.getNumberHistograms())]
+ pulseInterval = detWorkspace.getRun().getLogData('pulse_interval').value
+ energy = GetEiMonDet(DetectorWorkspace=detWorkspace,
+ DetectorEPPTable=detEPPWorkspace,
+ IndexType='Workspace Index',
+ Detectors=eiCalibrationDets,
+ MonitorWorkspace=monWorkspace,
+ MonitorEppTable=monEPPWorkspace,
+ Monitor=eiCalibrationMon,
+ PulseInterval=pulseInterval,
+ EnableLogging=algorithmLogging)
+ eiWSName = wsNames.withSuffix('incident_energy')
+ eiWorkspace = CreateSingleValuedWorkspace(OutputWorkspace=eiWSName,
+ DataValue=energy,
+ EnableLogging=algorithmLogging)
+ else:
+ log.error('Instrument ' + instrument + ' not supported for incident energy calibration')
+ return eiWorkspace
+
+
+def _createFlatBkg(ws, wsType, windowWidth, wsNames, algorithmLogging):
+ """Return a flat background workspace."""
+ if wsType == common.WS_CONTENT_DETS:
+ bkgWSName = wsNames.withSuffix('flat_bkg_for_detectors')
+ else:
+ bkgWSName = wsNames.withSuffix('flat_bkg_for_monitors')
+ bkgWS = CalculateFlatBackground(InputWorkspace=ws,
+ OutputWorkspace=bkgWSName,
+ Mode='Moving Average',
+ OutputMode='Return Background',
+ SkipMonitors=False,
+ NullifyNegativeValues=False,
+ AveragingWindowWidth=windowWidth,
+ EnableLogging=algorithmLogging)
+ firstBinStart = bkgWS.dataX(0)[0]
+ firstBinEnd = bkgWS.dataX(0)[1]
+ bkgWS = CropWorkspace(InputWorkspace=bkgWS,
+ OutputWorkspace=bkgWS,
+ XMin=firstBinStart,
+ XMax=firstBinEnd,
+ EnableLogging=algorithmLogging)
+ return bkgWS
+
+
+def _fitElasticChannel(ys, wsNames, wsCleanup, algorithmLogging):
+ """Return index to the peak position of ys."""
+ xs = numpy.array([i for i in range(len(ys))])
+ l2SumWSName = wsNames.withSuffix('summed_detectors_at_l2')
+ l2SumWS = CreateWorkspace(OutputWorkspace=l2SumWSName,
+ DataX=xs,
+ DataY=ys,
+ EnableLogging=algorithmLogging)
+ fitWSName = wsNames.withSuffix('summed_detectors_at_l2_fit_results')
+ fitWS = FindEPP(InputWorkspace=l2SumWS,
+ OutputWorkspace=fitWSName,
+ EnableLogging=algorithmLogging)
+ peakCentre = float(fitWS.cell('PeakCentre', 0))
+ wsCleanup.cleanup(l2SumWS)
+ wsCleanup.cleanup(fitWS)
+ return int(round(peakCentre))
+
+
+def _fitEPP(ws, wsType, wsNames, algorithmLogging):
+ """Return a fitted EPP table for a workspace."""
+ if wsType == common.WS_CONTENT_DETS:
+ eppWSName = wsNames.withSuffix('epp_detectors')
+ else:
+ eppWSName = wsNames.withSuffix('epp_monitors')
+ eppWS = FindEPP(InputWorkspace=ws,
+ OutputWorkspace=eppWSName,
+ EnableLogging=algorithmLogging)
+ return eppWS
+
+
+def _loadFiles(inputFilenames, wsNames, wsCleanup, algorithmLogging):
+ """Load files specified by inputFilenames, merging them into a single workspace."""
+ filename = inputFilenames.pop(0)
+ runNumber = os.path.basename(filename).split('.')[0]
+ firstWSName = wsNames.withSuffix('raw-' + runNumber)
+ mergedWS = LoadILLTOF(Filename=filename,
+ OutputWorkspace=firstWSName,
+ EnableLogging=algorithmLogging)
+ mergedWSName = wsNames.withSuffix('merged')
+ for i, filename in enumerate(inputFilenames):
+ runNumber = os.path.basename(filename).split('.')[0]
+ rawWSName = wsNames.withSuffix('raw-' + runNumber)
+ rawWS = LoadILLTOF(Filename=filename,
+ OutputWorkspace=rawWSName,
+ EnableLogging=algorithmLogging)
+ mergedWS = MergeRuns(InputWorkspaces=[mergedWS, rawWS],
+ OutputWorkspace=mergedWSName,
+ EnableLogging=algorithmLogging)
+ if i == 0:
+ wsCleanup.cleanup(firstWSName)
+ wsCleanup.cleanup(rawWS)
+ return mergedWS
+
+
+def _normalizeToMonitor(ws, monWS, monIndex, integrationBegin, integrationEnd,
+ wsNames, wsCleanup, algorithmLogging):
+ """Normalize to monitor counts."""
+ normalizedWSName = wsNames.withSuffix('normalized_to_monitor')
+ normalizationFactorWsName = wsNames.withSuffix('normalization_factor_monitor')
+ normalizedWS, normalizationFactorWS = NormaliseToMonitor(InputWorkspace=ws,
+ OutputWorkspace=normalizedWSName,
+ MonitorWorkspace=monWS,
+ MonitorWorkspaceIndex=monIndex,
+ IntegrationRangeMin=integrationBegin,
+ IntegrationRangeMax=integrationEnd,
+ NormFactorWS=normalizationFactorWsName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(normalizationFactorWS)
+ return normalizedWS
+
+
+def _normalizeToTime(ws, wsNames, wsCleanup, algorithmLogging):
+ """Normalize to the 'actual_time' sample log."""
+ log = ws.run()
+ if not log.hasProperty('duration'):
+ if not log.hasProperty('actual_time'):
+ raise RuntimeError("Cannot normalise to acquisition time: 'duration' missing from sample logs.")
+ time = log.getProperty('actual_time').value
+ else:
+ time = log.getProperty('duration').value
+ if time == 0:
+ raise RuntimeError("Cannot normalise to acquisition time: time is zero.")
+ if time < 0:
+ raise RuntimeError("Cannot normalise to acquisition time: time is negative.")
+ normalizedWSName = wsNames.withSuffix('normalized_to_time')
+ normalizationFactorWsName = wsNames.withSuffix('normalization_factor_time')
+ normalizationFactorWS = CreateSingleValuedWorkspace(OutputWorkspace=normalizationFactorWsName,
+ DataValue=time,
+ EnableLogging=algorithmLogging)
+ normalizedWS = Divide(LHSWorkspace=ws,
+ RHSWorkspace=normalizationFactorWS,
+ OutputWorkspace=normalizedWSName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(normalizationFactorWS)
+ return normalizedWS
+
+
+def _scaleAfterMonitorNormalization(ws, wsNames, wsCleanup, algorithmLogging):
+ """Scale ws by a factor given in the instrument parameters."""
+ SCALING_PARAM = 'scaling_after_monitor_normalisation'
+ NON_RECURSIVE = False # Prevent recursive calls.
+ instr = ws.getInstrument()
+ if not instr.hasParameter(SCALING_PARAM, NON_RECURSIVE):
+ return ws
+ factor = instr.getNumberParameter(SCALING_PARAM, NON_RECURSIVE)[0]
+ scaledWSName = wsNames.withSuffix('scaled_by_monitor_factor')
+ scaledWS = Scale(InputWorkspace=ws,
+ OutputWorkspace=scaledWSName,
+ Factor=factor,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(ws)
+ return scaledWS
+
+
+def _subtractFlatBkg(ws, wsType, bkgWorkspace, bkgScaling, wsNames,
+ wsCleanup, algorithmLogging):
+ """Subtract a scaled flat background from a workspace."""
+ if wsType == common.WS_CONTENT_DETS:
+ subtractedWSName = wsNames.withSuffix('flat_bkg_subtracted_detectors')
+ scaledBkgWSName = wsNames.withSuffix('flat_bkg_for_detectors_scaled')
+ else:
+ subtractedWSName = wsNames.withSuffix('flat_bkg_subtracted_monitors')
+ scaledBkgWSName = wsNames.withSuffix('flat_bkg_for_monitors_scaled')
+ Scale(InputWorkspace=bkgWorkspace,
+ OutputWorkspace=scaledBkgWSName,
+ Factor=bkgScaling,
+ EnableLogging=algorithmLogging)
+ subtractedWS = Minus(LHSWorkspace=ws,
+ RHSWorkspace=scaledBkgWSName,
+ OutputWorkspace=subtractedWSName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(scaledBkgWSName)
+ return subtractedWS
+
+
+def _sumDetectorsAtDistance(ws, distance, tolerance):
+ """Return a sum of the Y values of detectors at distance away from the sample."""
+ histogramCount = ws.getNumberHistograms()
+ ySums = numpy.zeros(ws.blocksize())
+ detectorInfo = ws.detectorInfo()
+ sample = ws.getInstrument().getSample()
+ for i in range(histogramCount):
+ det = ws.getDetector(i)
+ sampleToDetector = sample.getDistance(det)
+ if abs(distance - sampleToDetector) < tolerance:
+ if detectorInfo.isMonitor(i) or detectorInfo.isMasked(i):
+ continue
+ ySums += ws.readY(i)
+ return ySums
+
+
+class DirectILLCollectData(DataProcessorAlgorithm):
+ """A workflow algorithm for the initial sample, vanadium and empty container reductions."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLCollectData'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'An initial step of the reduction workflow for the direct geometry TOF spectrometers at ILL.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Executes the data reduction workflow."""
+ progress = Progress(self, 0.0, 1.0, 9)
+ report = common.Report()
+ subalgLogging = self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON
+ wsNamePrefix = self.getProperty(common.PROP_OUTPUT_WS).valueAsStr
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsNames = common.NameSource(wsNamePrefix, cleanupMode)
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ # The variables 'mainWS' and 'monWS shall hold the current main
+ # data throughout the algorithm.
+
+ # Get input workspace.
+ progress.report('Loading inputs')
+ mainWS = self._inputWS(wsNames, wsCleanup, subalgLogging)
+
+ # Extract monitors to a separate workspace.
+ progress.report('Extracting monitors')
+ mainWS, monWS = self._separateMons(mainWS, wsNames, wsCleanup, subalgLogging)
+
+ # Save the main workspace for later use, if needed.
+ rawWS = None
+ if not self.getProperty(common.PROP_OUTPUT_RAW_WS).isDefault:
+ rawWS = mainWS
+ wsCleanup.protect(rawWS)
+
+ # Normalisation to monitor/time, if requested.
+ progress.report('Normalising to monitor/time')
+ monWS = self._flatBkgMon(monWS, wsNames, wsCleanup, subalgLogging)
+ monEPPWS = self._createEPPWSMon(monWS, wsNames, wsCleanup, subalgLogging)
+ mainWS = self._normalize(mainWS, monWS, monEPPWS, wsNames, wsCleanup, subalgLogging)
+
+ # Time-independent background.
+ progress.report('Calculating backgrounds')
+ mainWS, bkgWS = self._flatBkgDet(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ wsCleanup.cleanupLater(bkgWS)
+
+ # Find elastic peak positions.
+ progress.report('Calculating EPPs')
+ detEPPWS = self._createEPPWSDet(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ wsCleanup.cleanupLater(detEPPWS, monEPPWS)
+
+ # Calibrate incident energy, if requested.
+ progress.report('Calibrating incident energy')
+ mainWS, monWS = self._calibrateEi(mainWS, detEPPWS, monWS, monEPPWS,
+ wsNames, wsCleanup, report,
+ subalgLogging)
+ wsCleanup.cleanupLater(monWS)
+
+ progress.report('Correcting TOF')
+ mainWS = self._correctTOFAxis(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ self._outputRaw(mainWS, rawWS, subalgLogging)
+
+ # Find elastic peak positions.
+ progress.report('Recalculating EPPs')
+ detEPPWS = self._createEPPWSDet(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ wsCleanup.cleanupLater(detEPPWS, monEPPWS)
+
+ self._finalize(mainWS, wsCleanup, report)
+ progress.report('Done')
+
+ def PyInit(self):
+ """Initialize the algorithm's input and output properties."""
+ PROPGROUP_FLAT_BKG = 'Flat Time-Independent Background'
+ PROPGROUP_INCIDENT_ENERGY_CALIBRATION = 'Indicent Energy Calibration'
+ PROPGROUP_MON_NORMALISATION = 'Neutron Flux Normalisation'
+ # Validators.
+ mandatoryPositiveInt = CompositeValidator()
+ mandatoryPositiveInt.add(IntMandatoryValidator())
+ mandatoryPositiveInt.add(IntBoundedValidator(lower=0))
+ positiveFloat = FloatBoundedValidator(lower=0)
+ positiveInt = IntBoundedValidator(lower=0)
+ positiveIntArray = IntArrayBoundedValidator()
+ positiveIntArray.setLower(0)
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+
+ # Properties.
+ self.declareProperty(MultipleFileProperty(name=common.PROP_INPUT_FILE,
+ action=FileAction.OptionalLoad,
+ extensions=['nxs']),
+ doc='An input run number (or a list thereof) or a filename.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ optional=PropertyMode.Optional,
+ direction=Direction.Input),
+ doc='Input workspace if no run is given.')
+ self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='The output of the algorithm.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(ITableWorkspaceProperty(
+ name=common.PROP_EPP_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Table workspace containing results from the FindEPP ' +
+ 'algorithm.')
+ self.declareProperty(name=common.PROP_EPP_METHOD,
+ defaultValue=common.EPP_METHOD_AUTO,
+ validator=StringListValidator([
+ common.EPP_METHOD_AUTO,
+ common.EPP_METHOD_FIT,
+ common.EPP_METHOD_CALCULATE]),
+ direction=Direction.Input,
+ doc='Method to create the EPP table for detectors (monitor is awlays fitted) if '
+ + common.PROP_EPP_WS + ' is not given.')
+ self.declareProperty(name=common.PROP_EPP_SIGMA,
+ defaultValue=Property.EMPTY_DBL,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc='Nominal sigma for the EPP table when ' + common.PROP_EPP_METHOD +
+ ' is set to ' + common.EPP_METHOD_CALCULATE +
+ ' (default: 10 times the first bin width).')
+ self.declareProperty(name=common.PROP_ELASTIC_CHANNEL_MODE,
+ defaultValue=common.ELASTIC_CHANNEL_AUTO,
+ validator=StringListValidator([
+ common.ELASTIC_CHANNEL_AUTO,
+ common.ELASTIC_CHANNEL_SAMPLE_LOG,
+ common.ELASTIC_CHANNEL_FIT]),
+ direction=Direction.Input,
+ doc='How to acquire the elastic channel.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_ELASTIC_CHANNEL_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='A single value workspace containing the elatic channel index. Overrides '
+ + common.PROP_ELASTIC_CHANNEL_MODE + '.')
+ self.declareProperty(name=common.PROP_MON_INDEX,
+ defaultValue=Property.EMPTY_INT,
+ validator=positiveInt,
+ direction=Direction.Input,
+ doc='Index of the incident monitor, if not specified in instrument parameters.')
+ self.declareProperty(name=common.PROP_INCIDENT_ENERGY_CALIBRATION,
+ defaultValue=common.INCIDENT_ENERGY_CALIBRATION_AUTO,
+ validator=StringListValidator([
+ common.INCIDENT_ENERGY_CALIBRATION_AUTO,
+ common.INCIDENT_ENERGY_CALIBRATION_ON,
+ common.INCIDENT_ENERGY_CALIBRATION_OFF]),
+ direction=Direction.Input,
+ doc='Control the incident energy calibration.')
+ self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_CALIBRATION, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INCIDENT_ENERGY_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='A single-valued workspace holding the calibrated ' +
+ 'incident energy.')
+ self.setPropertyGroup(common.PROP_INCIDENT_ENERGY_WS, PROPGROUP_INCIDENT_ENERGY_CALIBRATION)
+ self.declareProperty(name=common.PROP_FLAT_BKG,
+ defaultValue=common.BKG_AUTO,
+ validator=StringListValidator([
+ common.BKG_AUTO,
+ common.BKG_ON,
+ common.BKG_OFF]),
+ direction=Direction.Input,
+ doc='Control flat background subtraction.')
+ self.setPropertyGroup(common.PROP_FLAT_BKG, PROPGROUP_FLAT_BKG)
+ self.declareProperty(name=common.PROP_FLAT_BKG_SCALING,
+ defaultValue=1.0,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc='Flat background scaling constant')
+ self.setPropertyGroup(common.PROP_FLAT_BKG_SCALING, PROPGROUP_FLAT_BKG)
+ self.declareProperty(name=common.PROP_FLAT_BKG_WINDOW,
+ defaultValue=30,
+ validator=mandatoryPositiveInt,
+ direction=Direction.Input,
+ doc='Running average window width (in bins) ' +
+ 'for flat background.')
+ self.setPropertyGroup(common.PROP_FLAT_BKG_WINDOW, PROPGROUP_FLAT_BKG)
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_FLAT_BKG_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Workspace from which to get flat background data.')
+ self.setPropertyGroup(common.PROP_FLAT_BKG_WS, PROPGROUP_FLAT_BKG)
+ self.declareProperty(name=common.PROP_NORMALISATION,
+ defaultValue=common.NORM_METHOD_MON,
+ validator=StringListValidator([
+ common.NORM_METHOD_MON,
+ common.NORM_METHOD_TIME,
+ common.NORM_METHOD_OFF]),
+ direction=Direction.Input,
+ doc='Normalisation method.')
+ self.setPropertyGroup(common.PROP_NORMALISATION, PROPGROUP_MON_NORMALISATION)
+ self.declareProperty(name=common.PROP_MON_PEAK_SIGMA_MULTIPLIER,
+ defaultValue=3.0,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc="Width of the monitor peak in multiples " +
+ " of 'Sigma' in monitor's EPP table.")
+ self.setPropertyGroup(common.PROP_MON_PEAK_SIGMA_MULTIPLIER, PROPGROUP_MON_NORMALISATION)
+ # Rest of the output properties.
+ self.declareProperty(WorkspaceProperty(
+ name=common.PROP_OUTPUT_RAW_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output the merged runs or ' + common.PROP_INPUT_WS + ' as is.')
+ self.setPropertyGroup(common.PROP_OUTPUT_RAW_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+ self.declareProperty(WorkspaceProperty(
+ name=common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output workspace for elastic channel index.')
+ self.setPropertyGroup(common.PROP_OUTPUT_ELASTIC_CHANNEL_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+ self.declareProperty(ITableWorkspaceProperty(
+ name=common.PROP_OUTPUT_DET_EPP_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output workspace for elastic peak positions.')
+ self.setPropertyGroup(common.PROP_OUTPUT_DET_EPP_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+ self.declareProperty(WorkspaceProperty(
+ name=common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output workspace for calibrated inciden energy.')
+ self.setPropertyGroup(common.PROP_OUTPUT_INCIDENT_ENERGY_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+ self.declareProperty(WorkspaceProperty(
+ name=common.PROP_OUTPUT_FLAT_BKG_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output workspace for flat background.')
+ self.setPropertyGroup(common.PROP_OUTPUT_FLAT_BKG_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+
+ def validateInputs(self):
+ """Check for issues with user input."""
+ issues = dict()
+
+ fileGiven = not self.getProperty(common.PROP_INPUT_FILE).isDefault
+ wsGiven = not self.getProperty(common.PROP_INPUT_WS).isDefault
+ # Validate that an input exists
+ if fileGiven == wsGiven:
+ issues[common.PROP_INPUT_FILE] = \
+ 'Must give either an input file or an input workspace.'
+ if not wsGiven and self.getProperty(common.PROP_INPUT_WS).value:
+ issues[common.PROP_INPUT_WS] = 'Input workspace has to be in the ADS.'
+ return issues
+
+ def _calibrateEi(self, mainWS, detEPPWS, monWS, monEPPWS, wsNames, wsCleanup, report, subalgLogging):
+ """Perform and apply incident energy calibration."""
+ if self._eiCalibrationEnabled(mainWS, report):
+ if self.getProperty(common.PROP_INCIDENT_ENERGY_WS).isDefault:
+ monIndex = self._monitorIndex(monWS)
+ eiCalibrationWS = _calibratedIncidentEnergy(mainWS, detEPPWS, monWS, monEPPWS, monIndex, wsNames,
+ self.log(), subalgLogging)
+ else:
+ eiCalibrationWS = self.getProperty(common.PROP_INCIDENT_ENERGY_WS).value
+ wsCleanup.protect(eiCalibrationWS)
+ if eiCalibrationWS:
+ eiCalibratedDetWS = _applyIncidentEnergyCalibration(mainWS, common.WS_CONTENT_DETS, eiCalibrationWS, wsNames,
+ report, subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ mainWS = eiCalibratedDetWS
+ eiCalibratedMonWS = _applyIncidentEnergyCalibration(monWS, common.WS_CONTENT_MONS, eiCalibrationWS, wsNames, report,
+ subalgLogging)
+ wsCleanup.cleanup(monWS)
+ monWS = eiCalibratedMonWS
+ if not self.getProperty(
+ common.PROP_OUTPUT_INCIDENT_ENERGY_WS).isDefault:
+ self.setProperty(common.PROP_OUTPUT_INCIDENT_ENERGY_WS, eiCalibrationWS)
+ wsCleanup.cleanup(eiCalibrationWS)
+ return mainWS, monWS
+
+ def _chooseElasticChannelMode(self, mainWS, report):
+ """Return suitable elastic channel mode."""
+ mode = self.getProperty(common.PROP_ELASTIC_CHANNEL_MODE).value
+ if mode == common.ELASTIC_CHANNEL_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_elastic_channel_fitting'):
+ if instrument.getBoolParameter('enable_elastic_channel_fitting')[0]:
+ report.notice(common.PROP_ELASTIC_CHANNEL_MODE + ' set to '
+ + common.ELASTIC_CHANNEL_FIT + ' by the IPF.')
+ return common.ELASTIC_CHANNEL_FIT
+ else:
+ report.notice(common.PROP_ELASTIC_CHANNEL_MODE + ' set to '
+ + common.ELASTIC_CHANNEL_SAMPLE_LOG + ' by the IPF.')
+ return common.ELASTIC_CHANNEL_SAMPLE_LOG
+ else:
+ report.notice('Defaulted ' + common.PROP_ELASTIC_CHANNEL_MODE + ' to '
+ + common.ELASTIC_CHANNEL_SAMPLE_LOG + '.')
+ return common.ELASTIC_CHANNEL_SAMPLE_LOG
+ return mode
+
+ def _chooseEPPMethod(self, mainWS, report):
+ """Return a suitable EPP method."""
+ eppMethod = self.getProperty(common.PROP_EPP_METHOD).value
+ if eppMethod == common.EPP_METHOD_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_elastic_peak_fitting'):
+ if instrument.getBoolParameter('enable_elastic_peak_fitting')[0]:
+ report.notice(common.PROP_EPP_METHOD + ' set to '
+ + common.EPP_METHOD_FIT + ' by the IPF.')
+ return common.EPP_METHOD_FIT
+ else:
+ report.notice(common.PROP_EPP_METHOD + ' set to '
+ + common.EPP_METHOD_CALCULATE + ' by the IPF.')
+ return common.EPP_METHOD_CALCULATE
+ else:
+ report.notice('Defaulted ' + common.PROP_EPP_METHOD + ' to '
+ + common.EPP_METHOD_FIT + '.')
+ return common.EPP_METHOD_FIT
+ return eppMethod
+
+ def _correctTOFAxis(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Adjust the TOF axis to get the elastic channel correct."""
+ try:
+ l2 = float(mainWS.getInstrument().getStringParameter('l2')[0])
+ except IndexError:
+ self.log().warning("No 'l2' instrument parameter defined. TOF axis will not be adjusted")
+ return mainWS
+ if not self.getProperty(common.PROP_ELASTIC_CHANNEL_WS).isDefault:
+ indexWS = self.getProperty(common.PROP_ELASTIC_CHANNEL_WS).value
+ index = int(indexWS.readY(0)[0])
+ else:
+ mode = self._chooseElasticChannelMode(mainWS, report)
+ if mode == common.ELASTIC_CHANNEL_SAMPLE_LOG:
+ if not mainWS.run().hasProperty('Detector.elasticpeak'):
+ self.log().warning('No ' + common.PROP_ELASTIC_CHANNEL_WS +
+ ' given. TOF axis will not be adjusted.')
+ return mainWS
+ index = mainWS.run().getLogData('Detector.elasticpeak').value
+ else:
+ ys = _sumDetectorsAtDistance(mainWS, l2, 1e-5)
+ index = _fitElasticChannel(ys, wsNames, wsCleanup, subalgLogging)
+ correctedWSName = wsNames.withSuffix('tof_axis_corrected')
+ correctedWS = CorrectTOFAxis(InputWorkspace=mainWS,
+ OutputWorkspace=correctedWSName,
+ IndexType='Workspace Index',
+ ElasticBinIndex=index,
+ L2=l2,
+ EnableLogging=subalgLogging)
+ report.notice('Elastic channel index {0} was used for TOF axis adjustment.'.format(index))
+ if not self.getProperty(common.PROP_OUTPUT_ELASTIC_CHANNEL_WS).isDefault:
+ indexOutputWSName = wsNames.withSuffix('elastic_channel_output')
+ indexOutputWS = CreateSingleValuedWorkspace(OutputWorkspace=indexOutputWSName,
+ DataValue=index,
+ EnableLogging=subalgLogging)
+ self.setProperty(common.PROP_OUTPUT_ELASTIC_CHANNEL_WS, indexOutputWS)
+ wsCleanup.cleanup(indexOutputWS)
+ wsCleanup.cleanup(mainWS)
+ return correctedWS
+
+ def _createEPPWSDet(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Create an EPP table for a detector workspace."""
+ eiCalibration = self.getProperty(common.PROP_INCIDENT_ENERGY_CALIBRATION).value
+ noEiCalibration = eiCalibration == common.INCIDENT_ENERGY_CALIBRATION_OFF
+ yesInputEi = not self.getProperty(common.PROP_INCIDENT_ENERGY_WS).isDefault
+ noOutputEPP = self.getProperty(common.PROP_OUTPUT_DET_EPP_WS).isDefault
+ if (noEiCalibration or yesInputEi) and noOutputEPP:
+ # No epp table needed.
+ return None
+ detEPPInWS = self.getProperty(common.PROP_EPP_WS).value
+ if not detEPPInWS:
+ eppMethod = self._chooseEPPMethod(mainWS, report)
+ if eppMethod == common.EPP_METHOD_FIT:
+ detEPPWS = _fitEPP(mainWS, common.WS_CONTENT_DETS, wsNames, subalgLogging)
+ else:
+ sigma = self.getProperty(common.PROP_EPP_SIGMA).value
+ if sigma == Property.EMPTY_DBL:
+ sigma = 10.0 * (mainWS.readX(0)[1] - mainWS.readX(0)[0])
+ detEPPWS = _calculateEPP(mainWS, sigma, wsNames, subalgLogging)
+ else:
+ detEPPWS = detEPPInWS
+ wsCleanup.protect(detEPPWS)
+ if not self.getProperty(common.PROP_OUTPUT_DET_EPP_WS).isDefault:
+ self.setProperty(common.PROP_OUTPUT_DET_EPP_WS,
+ detEPPWS)
+ return detEPPWS
+
+ def _createEPPWSMon(self, monWS, wsNames, wsCleanup, subalgLogging):
+ """Create an EPP table for a monitor workspace."""
+ monEPPWS = _fitEPP(monWS, common.WS_CONTENT_MONS, wsNames, subalgLogging)
+ return monEPPWS
+
+ def _finalize(self, outWS, wsCleanup, report):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+ report.toLog(self.log())
+
+ def _eiCalibrationEnabled(self, mainWS, report):
+ """Return true if incident energy calibration should be perfomed, false if not."""
+ eppMethod = self.getProperty(common.PROP_INCIDENT_ENERGY_CALIBRATION).value
+ if eppMethod == common.INCIDENT_ENERGY_CALIBRATION_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_incident_energy_calibration'):
+ enabled = instrument.getBoolParameter('enable_incident_energy_calibration')[0]
+ if not enabled:
+ report.notice('Inciden energy calibration disabled by the IPF.')
+ return False
+ report.notice('Incident energy calibration enabled.')
+ return True
+ return eppMethod == common.INCIDENT_ENERGY_CALIBRATION_ON
+
+ def _flatBkgDet(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Subtract flat background from a detector workspace."""
+ if not self._flatBgkEnabled(mainWS, report):
+ return mainWS, None
+ windowWidth = self.getProperty(common.PROP_FLAT_BKG_WINDOW).value
+ if self.getProperty(common.PROP_FLAT_BKG_WS).isDefault:
+ bkgWS = _createFlatBkg(mainWS, common.WS_CONTENT_DETS, windowWidth, wsNames, subalgLogging)
+ else:
+ bkgWS = self.getProperty(common.PROP_FLAT_BKG_WS).value
+ wsCleanup.protect(bkgWS)
+ if not self.getProperty(common.PROP_OUTPUT_FLAT_BKG_WS).isDefault:
+ self.setProperty(common.PROP_OUTPUT_FLAT_BKG_WS, bkgWS)
+ bkgScaling = self.getProperty(common.PROP_FLAT_BKG_SCALING).value
+ bkgSubtractedWS = _subtractFlatBkg(mainWS, common.WS_CONTENT_DETS, bkgWS, bkgScaling, wsNames,
+ wsCleanup, subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return bkgSubtractedWS, bkgWS
+
+ def _flatBgkEnabled(self, mainWS, report):
+ """Returns true if flat background subtraction is enabled, false otherwise."""
+ flatBkgOption = self.getProperty(common.PROP_FLAT_BKG).value
+ if flatBkgOption == common.BKG_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_flat_background_subtraction'):
+ enabled = instrument.getBoolParameter('enable_flat_background_subtraction')[0]
+ if not enabled:
+ report.notice('Flat background subtraction disabled by the IPF.')
+ return False
+ report.notice('Flat background subtraction enabled.')
+ return True
+ return flatBkgOption == common.BKG_ON
+
+ def _flatBkgMon(self, monWS, wsNames, wsCleanup, subalgLogging):
+ """Subtract flat background from a monitor workspace."""
+ windowWidth = self.getProperty(common.PROP_FLAT_BKG_WINDOW).value
+ monBkgWS = _createFlatBkg(monWS, common.WS_CONTENT_MONS, windowWidth, wsNames, subalgLogging)
+ monBkgScaling = 1
+ bkgSubtractedMonWS = _subtractFlatBkg(monWS, common.WS_CONTENT_MONS, monBkgWS, monBkgScaling, wsNames,
+ wsCleanup, subalgLogging)
+ wsCleanup.cleanup(monBkgWS)
+ wsCleanup.cleanup(monWS)
+ return bkgSubtractedMonWS
+
+ def _inputWS(self, wsNames, wsCleanup, subalgLogging):
+ """Return the raw input workspace."""
+ inputFiles = self.getProperty(common.PROP_INPUT_FILE).value
+ if len(inputFiles) > 0:
+ flattened = list()
+ for i in inputFiles:
+ if isinstance(i, str):
+ flattened.append(i)
+ else:
+ flattened += i
+ mainWS = _loadFiles(flattened, wsNames, wsCleanup, subalgLogging)
+ else:
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _monitorIndex(self, monWS):
+ """Return the workspace index of the main monitor."""
+ if self.getProperty(common.PROP_MON_INDEX).isDefault:
+ NON_RECURSIVE = False # Prevent recursive calls in the following.
+ if not monWS.getInstrument().hasParameter('default-incident-monitor-spectrum', NON_RECURSIVE):
+ raise RuntimeError('default-incident-monitor-spectrum missing in instrument parameters; ' +
+ common.PROP_MON_INDEX + ' must be specified.')
+ monIndex = monWS.getInstrument().getIntParameter('default-incident-monitor-spectrum', NON_RECURSIVE)[0]
+ monIndex = common.convertToWorkspaceIndex(monIndex, monWS, common.INDEX_TYPE_SPECTRUM_NUMBER)
+ else:
+ monIndex = self.getProperty(common.PROP_MON_INDEX).value
+ monIndex = common.convertToWorkspaceIndex(monIndex, monWS)
+ return monIndex
+
+ def _normalize(self, mainWS, monWS, monEPPWS, wsNames, wsCleanup, subalgLogging):
+ """Normalize to monitor or measurement time."""
+ normalisationMethod = self.getProperty(common.PROP_NORMALISATION).value
+ if normalisationMethod != common.NORM_METHOD_OFF:
+ if normalisationMethod == common.NORM_METHOD_MON:
+ sigmaMultiplier = \
+ self.getProperty(common.PROP_MON_PEAK_SIGMA_MULTIPLIER).value
+ monIndex = self._monitorIndex(monWS)
+ eppRow = monEPPWS.row(monIndex)
+ if eppRow['FitStatus'] != 'success':
+ self.log().warning('Fitting to monitor data failed. Integrating the intensity over ' +
+ 'the entire TOF range for normalisation.')
+ begin = monWS.dataX(monIndex)[0]
+ end = monWS.dataX(monIndex)[-1]
+ else:
+ sigma = eppRow['Sigma']
+ centre = eppRow['PeakCentre']
+ begin = centre - sigmaMultiplier * sigma
+ end = centre + sigmaMultiplier * sigma
+ normalizedWS = _normalizeToMonitor(mainWS, monWS, monIndex, begin, end, wsNames, wsCleanup,
+ subalgLogging)
+ normalizedWS = _scaleAfterMonitorNormalization(normalizedWS, wsNames, wsCleanup,
+ subalgLogging)
+ elif normalisationMethod == common.NORM_METHOD_TIME:
+ normalizedWS = _normalizeToTime(mainWS, wsNames, wsCleanup, subalgLogging)
+ else:
+ raise RuntimeError('Unknonwn normalisation method ' + normalisationMethod)
+ wsCleanup.cleanup(mainWS)
+ return normalizedWS
+ return mainWS
+
+ def _outputRaw(self, mainWS, rawWS, subalgLogging):
+ """Optionally sets mainWS as the raw output workspace."""
+ if not self.getProperty(common.PROP_OUTPUT_RAW_WS).isDefault:
+ CorrectTOFAxis(InputWorkspace=rawWS,
+ OutputWorkspace=rawWS,
+ ReferenceWorkspace=mainWS,
+ EnableLogging=subalgLogging)
+ self.setProperty(common.PROP_OUTPUT_RAW_WS, rawWS)
+
+ def _separateMons(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Extract monitors to a separate workspace."""
+ detWSName = wsNames.withSuffix('extracted_detectors')
+ monWSName = wsNames.withSuffix('extracted_monitors')
+ detWS, monWS = ExtractMonitors(InputWorkspace=mainWS,
+ DetectorWorkspace=detWSName,
+ MonitorWorkspace=monWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return detWS, monWS
+
+
+AlgorithmFactory.subscribe(DirectILLCollectData)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnostics.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnostics.py
new file mode 100644
index 0000000000000000000000000000000000000000..e3c3ce10f390f62b3f77829ca148733e99c3f469
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnostics.py
@@ -0,0 +1,767 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+import mantid
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, InstrumentValidator,
+ ITableWorkspaceProperty, MatrixWorkspaceProperty, mtd, Progress, PropertyMode,
+ WorkspaceProperty, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direction, FloatBoundedValidator, IntArrayBoundedValidator,
+ IntArrayProperty, StringArrayProperty, StringListValidator)
+from mantid.simpleapi import (ClearMaskFlag, CloneWorkspace, CreateEmptyTableWorkspace, Divide,
+ ExtractMask, Integration, LoadMask, MaskDetectors, MedianDetectorTest, Plus, SolidAngle)
+import numpy
+import os.path
+
+_PLOT_TYPE_X = 1
+_PLOT_TYPE_Y = 2
+
+
+class _DiagnosticsSettings:
+ """A class to hold settings for MedianDetectorTest."""
+
+ def __init__(self, lowThreshold, highThreshold, significanceTest):
+ """Initialize an instance of the class."""
+ self.lowThreshold = lowThreshold
+ self.highThreshold = highThreshold
+ self.significanceTest = significanceTest
+
+
+def _beamStopRanges(ws):
+ """Parse beam stop ranges from the instrument parameters of ws."""
+ instrument = ws.getInstrument()
+ definition = instrument.getStringParameter('beam_stop_diagnostics_spectra')[0]
+ ranges = definition.split(',')
+ begins = list()
+ ends = list()
+ for r in ranges:
+ (begin, end) = r.split('-')
+ begin = int(begin)
+ end = int(end)
+ if (begin >= end):
+ raise RuntimeError("While parsing 'beam_stop_diagnostics_spectra' instrument parameter: "
+ + "begin spectrum number greater than the end number.")
+ begin = common.convertToWorkspaceIndex(begin, ws, common.INDEX_TYPE_SPECTRUM_NUMBER)
+ end = common.convertToWorkspaceIndex(end, ws, common.INDEX_TYPE_SPECTRUM_NUMBER)
+ begins.append(begin)
+ ends.append(end)
+ return (begins, ends)
+
+
+def _bkgDiagnostics(bkgWS, noisyBkgSettings, wsNames, algorithmLogging):
+ """Diagnose noisy flat backgrounds and return a mask workspace."""
+ noisyBkgWSName = wsNames.withSuffix('diagnostics_noisy_bkg')
+ noisyBkgDiagnostics, nFailures = \
+ MedianDetectorTest(InputWorkspace=bkgWS,
+ OutputWorkspace=noisyBkgWSName,
+ SignificanceTest=noisyBkgSettings.significanceTest,
+ LowThreshold=noisyBkgSettings.lowThreshold,
+ HighThreshold=noisyBkgSettings.highThreshold,
+ LowOutlier=0.0,
+ EnableLogging=algorithmLogging)
+ ClearMaskFlag(Workspace=noisyBkgDiagnostics,
+ EnableLogging=algorithmLogging)
+ return noisyBkgDiagnostics
+
+
+def _createDiagnosticsReportTable(reportWSName, numberHistograms, algorithmLogging):
+ """Return a table workspace for detector diagnostics reporting."""
+ if mtd.doesExist(reportWSName):
+ reportWS = mtd[reportWSName]
+ else:
+ reportWS = CreateEmptyTableWorkspace(OutputWorkspace=reportWSName,
+ EnableLogging=algorithmLogging)
+ existingColumnNames = reportWS.getColumnNames()
+ if 'WorkspaceIndex' not in existingColumnNames:
+ reportWS.addColumn('int', 'WorkspaceIndex', _PLOT_TYPE_X)
+ reportWS.setRowCount(numberHistograms)
+ for i in range(numberHistograms):
+ reportWS.setCell('WorkspaceIndex', i, i)
+ return reportWS
+
+
+def _createMaskWS(ws, name, algorithmLogging):
+ """Return a single bin workspace with same number of histograms as ws."""
+ maskWS, detList = ExtractMask(InputWorkspace=ws,
+ OutputWorkspace=name,
+ EnableLogging=algorithmLogging)
+ maskWS *= 0.0
+ return maskWS
+
+
+def _elasticPeakDiagnostics(ws, peakSettings, wsNames, algorithmLogging):
+ """Diagnose elastic peaks and return a mask workspace"""
+ elasticPeakDiagnosticsWSName = wsNames.withSuffix('diagnostics_elastic_peak')
+ elasticPeakDiagnostics, nFailures = \
+ MedianDetectorTest(InputWorkspace=ws,
+ OutputWorkspace=elasticPeakDiagnosticsWSName,
+ SignificanceTest=peakSettings.significanceTest,
+ LowThreshold=peakSettings.lowThreshold,
+ HighThreshold=peakSettings.highThreshold,
+ EnableLogging=algorithmLogging)
+ ClearMaskFlag(Workspace=elasticPeakDiagnostics,
+ EnableLogging=algorithmLogging)
+ return elasticPeakDiagnostics
+
+
+def _integrateBkgs(ws, eppWS, sigmaMultiplier, wsNames, wsCleanup, algorithmLogging):
+ """Return a workspace integrated around flat background areas."""
+ histogramCount = ws.getNumberHistograms()
+ binMatrix = ws.extractX()
+ leftBegins = binMatrix[:, 0]
+ leftEnds = numpy.empty(histogramCount)
+ rightBegins = numpy.empty(histogramCount)
+ rightEnds = binMatrix[:, -1]
+ for i in range(histogramCount):
+ eppRow = eppWS.row(i)
+ if eppRow['FitStatus'] != 'success':
+ leftBegins[i] = 0
+ leftEnds[i] = 0
+ rightBegins[i] = 0
+ rightEnds[i] = 0
+ continue
+ peakCentre = eppRow['PeakCentre']
+ sigma = eppRow['Sigma']
+ leftEnds[i] = peakCentre - sigmaMultiplier * sigma
+ if leftBegins[i] > leftEnds[i]:
+ leftBegins[i] = leftEnds[i]
+ rightBegins[i] = peakCentre + sigmaMultiplier * sigma
+ if rightBegins[i] > rightEnds[i]:
+ rightBegins[i] = rightEnds[i]
+ leftWSName = wsNames.withSuffix('integrated_left_bkgs')
+ leftWS = Integration(InputWorkspace=ws,
+ OutputWorkspace=leftWSName,
+ RangeLowerList=leftBegins,
+ RangeUpperList=leftEnds,
+ EnableLogging=algorithmLogging)
+ rightWSName = wsNames.withSuffix('integrated_right_bkgs')
+ rightWS = Integration(InputWorkspace=ws,
+ OutputWorkspace=rightWSName,
+ RangeLowerList=rightBegins,
+ RangeUpperList=rightEnds,
+ EnableLogging=algorithmLogging)
+ sumWSName = wsNames.withSuffix('integrated_bkgs_sum')
+ sumWS = Plus(LHSWorkspace=leftWS,
+ RHSWorkspace=rightWS,
+ OutputWorkspace=sumWSName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(leftWS)
+ wsCleanup.cleanup(rightWS)
+ return sumWS
+
+
+def _integrateElasticPeaks(ws, eppWS, sigmaMultiplier, wsNames, wsCleanup, algorithmLogging):
+ """Return a workspace integrated around the elastic peak."""
+ histogramCount = ws.getNumberHistograms()
+ integrationBegins = numpy.empty(histogramCount)
+ integrationEnds = numpy.empty(histogramCount)
+ for i in range(histogramCount):
+ eppRow = eppWS.row(i)
+ if eppRow['FitStatus'] != 'success':
+ integrationBegins[i] = 0
+ integrationEnds[i] = 0
+ continue
+ peakCentre = eppRow['PeakCentre']
+ sigma = eppRow['Sigma']
+ integrationBegins[i] = peakCentre - sigmaMultiplier * sigma
+ integrationEnds[i] = peakCentre + sigmaMultiplier * sigma
+ integratedElasticPeaksWSName = \
+ wsNames.withSuffix('integrated_elastic_peak')
+ integratedElasticPeaksWS = \
+ Integration(InputWorkspace=ws,
+ OutputWorkspace=integratedElasticPeaksWSName,
+ IncludePartialBins=True,
+ RangeLowerList=integrationBegins,
+ RangeUpperList=integrationEnds,
+ EnableLogging=algorithmLogging)
+ solidAngleWSName = wsNames.withSuffix('detector_solid_angles')
+ solidAngleWS = SolidAngle(InputWorkspace=ws,
+ OutputWorkspace=solidAngleWSName,
+ EnableLogging=algorithmLogging)
+ solidAngleCorrectedElasticPeaksWSName = \
+ wsNames.withSuffix('solid_angle_corrected_elastic_peak')
+ solidAngleCorrectedElasticPeaksWS = \
+ Divide(LHSWorkspace=integratedElasticPeaksWS,
+ RHSWorkspace=solidAngleWS,
+ OutputWorkspace=solidAngleCorrectedElasticPeaksWSName,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(integratedElasticPeaksWS)
+ wsCleanup.cleanup(solidAngleWS)
+ return solidAngleCorrectedElasticPeaksWS
+
+
+def _maskDiagnosedDetectors(ws, diagnosticsWS, wsNames, algorithmLogging):
+ """Mask detectors according to diagnostics."""
+ maskedWSName = wsNames.withSuffix('diagnostics_applied')
+ maskedWS = CloneWorkspace(InputWorkspace=ws,
+ OutputWorkspace=maskedWSName,
+ EnableLogging=algorithmLogging)
+ MaskDetectors(Workspace=maskedWS,
+ MaskedWorkspace=diagnosticsWS,
+ EnableLogging=algorithmLogging)
+ return maskedWS
+
+
+def _maskedListToStr(masked):
+ """Return a string presentation of a list of spectrum numbers."""
+ if not masked:
+ return 'None'
+
+ def addBlock(string, begin, end):
+ if blockBegin == blockEnd:
+ string += str(blockEnd) + ', '
+ else:
+ string += str(blockBegin) + '-' + str(blockEnd) + ', '
+ return string
+
+ string = str()
+ blockBegin = None
+ blockEnd = None
+ maxMasked = max(masked)
+ for i in sorted(masked):
+ if blockBegin is None:
+ blockBegin = i
+ blockEnd = i
+ if i == maxMasked:
+ if i > blockEnd + 1:
+ string = addBlock(string, blockBegin, blockEnd)
+ string += str(i)
+ else:
+ string += str(blockBegin) + '-' + str(i)
+ break
+ if i > blockEnd + 1:
+ string = addBlock(string, blockBegin, blockEnd)
+ blockBegin = i
+ blockEnd = i
+ return string
+
+
+def _reportBkgDiagnostics(reportWS, bkgWS, diagnosticsWS):
+ """Return masked spectrum numbers and add background diagnostics information to a report workspace."""
+ return _reportDiagnostics(reportWS, bkgWS, diagnosticsWS, 'FlatBkg', 'BkgDiagnosed')
+
+
+def _reportBeamStopMask(reportWS, maskWS):
+ """Return masked spectrum numbers and add default mask information to a report workspace."""
+ return _reportMasking(reportWS, maskWS, 'BeamStopMask')
+
+
+def _reportDefaultMask(reportWS, maskWS):
+ """Return masked spectrum numbers and add default mask information to a report workspace."""
+ return _reportMasking(reportWS, maskWS, 'DefaultMask')
+
+
+def _reportDiagnostics(reportWS, dataWS, diagnosticsWS, dataColumn, diagnosedColumn):
+ """Return masked spectrum numbers and add diagnostics information to a report workspace."""
+ if reportWS is not None:
+ existingColumnNames = reportWS.getColumnNames()
+ if dataColumn not in existingColumnNames:
+ reportWS.addColumn('double', dataColumn, _PLOT_TYPE_Y)
+ if diagnosedColumn not in existingColumnNames:
+ reportWS.addColumn('double', diagnosedColumn, _PLOT_TYPE_Y)
+ maskedSpectra = list()
+ for i in range(dataWS.getNumberHistograms()):
+ diagnosed = int(diagnosticsWS.readY(i)[0])
+ if reportWS is not None:
+ y = dataWS.readY(i)[0]
+ reportWS.setCell(dataColumn, i, y)
+ reportWS.setCell(diagnosedColumn, i, diagnosed)
+ if diagnosed != 0:
+ maskedSpectra.append(dataWS.getSpectrum(i).getSpectrumNo())
+ return maskedSpectra
+
+
+def _reportMasking(reportWS, maskWS, maskedColumn):
+ """Return masked spectrum numbers and add masking information to a report workspace."""
+ if reportWS is not None:
+ existingColumnNames = reportWS.getColumnNames()
+ if maskedColumn not in existingColumnNames:
+ reportWS.addColumn('double', maskedColumn, _PLOT_TYPE_Y)
+ maskedSpectra = list()
+ for i in range(maskWS.getNumberHistograms()):
+ masked = int(maskWS.readY(i)[0])
+ if reportWS is not None:
+ reportWS.setCell(maskedColumn, i, masked)
+ if masked != 0:
+ maskedSpectra.append(maskWS.getSpectrum(i).getSpectrumNo())
+ return maskedSpectra
+
+
+def _reportPeakDiagnostics(reportWS, peakIntensityWS, diagnosticsWS):
+ """Return masked spectrum numbers and add elastic peak diagnostics information to a report workspace."""
+ return _reportDiagnostics(reportWS, peakIntensityWS, diagnosticsWS, 'ElasticIntensity', 'IntensityDiagnosed')
+
+
+def _reportUserMask(reportWS, maskWS):
+ """Return masked spectrum numbers and add user mask information to a report workspace."""
+ return _reportMasking(reportWS, maskWS, 'UserMask')
+
+
+class DirectILLDiagnostics(DataProcessorAlgorithm):
+ """A workflow algorithm for detector diagnostics."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLDiagnostics'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'Perform detector diagnostics and masking for the direct geometry TOF spectrometers at ILL.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Executes the data reduction workflow."""
+ progress = Progress(self, 0.0, 1.0, 7)
+ report = common.Report()
+ subalgLogging = self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON
+ wsNamePrefix = self.getProperty(common.PROP_OUTPUT_WS).valueAsStr
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsNames = common.NameSource(wsNamePrefix, cleanupMode)
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ progress.report('Loading inputs')
+ mainWS = self._inputWS(wsNames, wsCleanup, subalgLogging)
+
+ maskWSName = wsNames.withSuffix('combined_mask')
+ maskWS = _createMaskWS(mainWS, maskWSName, subalgLogging)
+
+ reportWS = None
+ if not self.getProperty(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS).isDefault:
+ reportWSName = self.getProperty(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS).valueAsStr
+ reportWS = _createDiagnosticsReportTable(reportWSName, mainWS.getNumberHistograms(), subalgLogging)
+
+ progress.report('Loading default mask')
+ defaultMaskWS = self._defaultMask(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ defaultMaskedSpectra = list()
+ if defaultMaskWS is not None:
+ defaultMaskedSpectra = _reportDefaultMask(reportWS, defaultMaskWS)
+ maskWS = Plus(LHSWorkspace=maskWS,
+ RHSWorkspace=defaultMaskWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(defaultMaskWS)
+
+ progress.report('User-defined mask')
+ userMaskWS = self._userMask(mainWS, wsNames, wsCleanup, subalgLogging)
+ userMaskedSpectra = _reportUserMask(reportWS, userMaskWS)
+ maskWS = Plus(LHSWorkspace=maskWS,
+ RHSWorkspace=userMaskWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(userMaskWS)
+
+ beamStopMaskedSpectra = list()
+ if self._beamStopDiagnosticsEnabled(mainWS, report):
+ progress.report('Diagnosing beam stop')
+ beamStopMaskWS = self._beamStopDiagnostics(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ beamStopMaskedSpectra = _reportBeamStopMask(reportWS, beamStopMaskWS)
+ maskWS = Plus(LHSWorkspace=maskWS,
+ RHSWorkspace=beamStopMaskWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(beamStopMaskWS)
+
+ bkgMaskedSpectra = list()
+ if self._bkgDiagnosticsEnabled(mainWS, report):
+ progress.report('Diagnosing backgrounds')
+ bkgMaskWS, bkgWS = self._bkgDiagnostics(mainWS, maskWS, wsNames, wsCleanup, report, subalgLogging)
+ bkgMaskedSpectra = _reportBkgDiagnostics(reportWS, bkgWS, bkgMaskWS)
+ maskWS = Plus(LHSWorkspace=maskWS,
+ RHSWorkspace=bkgMaskWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(bkgMaskWS)
+ wsCleanup.cleanup(bkgWS)
+
+ peakMaskedSpectra = list()
+ if self._peakDiagnosticsEnabled(mainWS, report):
+ progress.report('Diagnosing peaks')
+ peakMaskWS, peakIntensityWS = self._peakDiagnostics(mainWS, maskWS, wsNames, wsCleanup, report, subalgLogging)
+ peakMaskedSpectra = _reportPeakDiagnostics(reportWS, peakIntensityWS, peakMaskWS)
+ maskWS = Plus(LHSWorkspace=maskWS,
+ RHSWorkspace=peakMaskWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(peakMaskWS)
+ wsCleanup.cleanup(peakIntensityWS)
+
+ self._outputReports(reportWS, defaultMaskedSpectra, userMaskedSpectra, beamStopMaskedSpectra,
+ peakMaskedSpectra, bkgMaskedSpectra)
+
+ self._finalize(maskWS, wsCleanup, report)
+ progress.report('Done')
+
+ def PyInit(self):
+ """Initialize the algorithm's input and output properties."""
+ PROPGROUP_BEAM_STOP_DIAGNOSTICS = 'Beam Stop Diagnostics'
+ PROPGROUP_BKG_DIAGNOSTICS = 'Background Diagnostics'
+ PROPGROUP_PEAK_DIAGNOSTICS = 'Elastic Peak Diagnostics'
+ PROPGROUP_USER_MASK = 'Additional Masking'
+ greaterThanUnityFloat = FloatBoundedValidator(lower=1)
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+ positiveFloat = FloatBoundedValidator(lower=0)
+ positiveIntArray = IntArrayBoundedValidator()
+ positiveIntArray.setLower(0)
+ scalingFactor = FloatBoundedValidator(lower=0, upper=1)
+
+ # Properties.
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ direction=Direction.Input),
+ doc='Raw input workspace.')
+ self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='A diagnostics mask workspace.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(ITableWorkspaceProperty(
+ name=common.PROP_EPP_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Table workspace containing results from the FindEPP algorithm.')
+ self.declareProperty(name=common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
+ defaultValue=common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
+ validator=StringListValidator([
+ common.ELASTIC_PEAK_DIAGNOSTICS_AUTO,
+ common.ELASTIC_PEAK_DIAGNOSTICS_ON,
+ common.ELASTIC_PEAK_DIAGNOSTICS_OFF]),
+ direction=Direction.Input,
+ doc='Enable or disable elastic peak diagnostics.')
+ self.setPropertyGroup(common.PROP_ELASTIC_PEAK_DIAGNOSTICS,
+ PROPGROUP_PEAK_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
+ defaultValue=3.0,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc="Integration width of the elastic peak in multiples " +
+ " of 'Sigma' in the EPP table.")
+ self.setPropertyGroup(common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER,
+ PROPGROUP_PEAK_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
+ defaultValue=0.1,
+ validator=scalingFactor,
+ direction=Direction.Input,
+ doc='Multiplier for lower acceptance limit ' +
+ 'used in elastic peak diagnostics.')
+ self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD,
+ PROPGROUP_PEAK_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
+ defaultValue=3.0,
+ validator=greaterThanUnityFloat,
+ direction=Direction.Input,
+ doc='Multiplier for higher acceptance limit ' +
+ 'used in elastic peak diagnostics.')
+ self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD,
+ PROPGROUP_PEAK_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
+ defaultValue=3.3,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc='Error bar multiplier for significance ' +
+ 'test in the elastic peak diagnostics.')
+ self.setPropertyGroup(common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST,
+ PROPGROUP_PEAK_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS,
+ defaultValue=common.BKG_DIAGNOSTICS_AUTO,
+ validator=StringListValidator([
+ common.BKG_DIAGNOSTICS_AUTO,
+ common.BKG_DIAGNOSTICS_ON,
+ common.BKG_DIAGNOSTICS_OFF]),
+ direction=Direction.Input,
+ doc='Control the background diagnostics.')
+ self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS, PROPGROUP_BKG_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BKG_SIGMA_MULTIPLIER,
+ defaultValue=10.0,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc="Width of the range excluded from background integration around " +
+ "the elastic peaks in multiplies of 'Sigma' in the EPP table")
+ self.setPropertyGroup(common.PROP_BKG_SIGMA_MULTIPLIER,
+ PROPGROUP_BKG_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
+ defaultValue=0.1,
+ validator=scalingFactor,
+ direction=Direction.Input,
+ doc='Multiplier for lower acceptance limit ' +
+ 'used in noisy background diagnostics.')
+ self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD,
+ PROPGROUP_BKG_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
+ defaultValue=3.3,
+ validator=greaterThanUnityFloat,
+ direction=Direction.Input,
+ doc='Multiplier for higher acceptance limit ' +
+ 'used in noisy background diagnostics.')
+ self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD,
+ PROPGROUP_BKG_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
+ defaultValue=3.3,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc='Error bar multiplier for significance ' +
+ 'test in the noisy background diagnostics.')
+ self.setPropertyGroup(common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST,
+ PROPGROUP_BKG_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BEAM_STOP_DIAGNOSTICS,
+ defaultValue=common.BEAM_STOP_DIAGNOSTICS_AUTO,
+ validator=StringListValidator([
+ common.BEAM_STOP_DIAGNOSTICS_AUTO,
+ common.BEAM_STOP_DIAGNOSTICS_ON,
+ common.BEAM_STOP_DIAGNOSTICS_OFF]),
+ direction=Direction.Input,
+ doc='Control the beam stop diagnostics.')
+ self.setPropertyGroup(common.PROP_BEAM_STOP_DIAGNOSTICS, PROPGROUP_BEAM_STOP_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_BEAM_STOP_THRESHOLD,
+ defaultValue=0.67,
+ validator=scalingFactor,
+ direction=Direction.Input,
+ doc='Multiplier for the lower acceptance limit for beam stop diagnostics.')
+ self.setPropertyGroup(common.PROP_BEAM_STOP_THRESHOLD, PROPGROUP_BEAM_STOP_DIAGNOSTICS)
+ self.declareProperty(name=common.PROP_DEFAULT_MASK,
+ defaultValue=common.DEFAULT_MASK_ON,
+ validator=StringListValidator([
+ common.DEFAULT_MASK_ON,
+ common.DEFAULT_MASK_OFF]),
+ direction=Direction.Input,
+ doc='Enable or disable instrument specific default mask.')
+ self.declareProperty(IntArrayProperty(name=common.PROP_USER_MASK,
+ values='',
+ validator=positiveIntArray,
+ direction=Direction.Input),
+ doc='List of spectra to mask.')
+ self.setPropertyGroup(common.PROP_USER_MASK, PROPGROUP_USER_MASK)
+ self.declareProperty(
+ StringArrayProperty(name=common.PROP_USER_MASK_COMPONENTS,
+ values='',
+ direction=Direction.Input),
+ doc='List of instrument components to mask.')
+ self.setPropertyGroup(common.PROP_USER_MASK_COMPONENTS, PROPGROUP_USER_MASK)
+ # Rest of the output properties
+ self.declareProperty(ITableWorkspaceProperty(
+ name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output table workspace for detector diagnostics reporting.')
+ self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+ self.declareProperty(name=common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
+ defaultValue='',
+ direction=Direction.Output,
+ doc='Diagnostics report as a string.')
+ self.setPropertyGroup(common.PROP_OUTPUT_DIAGNOSTICS_REPORT,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+
+ def validateInputs(self):
+ """Check for issues with user input."""
+ issues = dict()
+ if self.getProperty(common.PROP_EPP_WS).isDefault:
+ if self.getProperty(common.PROP_ELASTIC_PEAK_DIAGNOSTICS).value == common.ELASTIC_PEAK_DIAGNOSTICS_ON:
+ issues[common.PROP_EPP_WS] = 'An EPP table is needed for elastic peak diagnostics.'
+ if self.getProperty(common.PROP_BKG_DIAGNOSTICS).value == common.BKG_DIAGNOSTICS_ON:
+ issues[common.PROP_EPP_WS] = 'An EPP table is needed for background diagnostics.'
+ return issues
+
+ def _beamStopDiagnostics(self, mainWS, wsNames, wsCleanup, report, algorithmLogging):
+ """Diagnose beam stop and return a mask workspace."""
+ import operator
+
+ def thresholdIndex(ws, begin, end, threshold):
+ """Return an index where the threshold is crossed."""
+ step = -1 if begin < end else 1
+ comp = operator.ge if begin < end else operator.le
+ Ys = numpy.empty(abs(end - begin))
+ i = end + step
+ indexShift = -min(begin, end + 1)
+ while comp(i, begin):
+ index = i + indexShift
+ Ys[index] = numpy.sum(ws.dataY(i))
+ i += step
+ maxIndex = int(numpy.argmax(Ys))
+ thresholdVal = threshold * Ys[maxIndex]
+ i = maxIndex - indexShift + step
+ while comp(i, begin):
+ index = i + indexShift
+ if Ys[index] < thresholdVal:
+ return i
+ i += step
+ return i
+ beamStopDiagnosticsWSName = wsNames.withSuffix('beam_stop_diagnostics')
+ beamStopDiagnosticsWS = _createMaskWS(mainWS, beamStopDiagnosticsWSName, algorithmLogging)
+ threshold = self.getProperty(common.PROP_BEAM_STOP_THRESHOLD).value
+ beginIndices, endIndices = _beamStopRanges(mainWS)
+ for i in range(len(beginIndices)):
+ begin = beginIndices[i]
+ end = endIndices[i]
+ mid = int((end + begin) / 2)
+ lowerIdx = thresholdIndex(mainWS, mid, begin, threshold)
+ upperIdx = thresholdIndex(mainWS, mid, end, threshold)
+ if lowerIdx != upperIdx:
+ for j in range(upperIdx - lowerIdx + 1):
+ ys = beamStopDiagnosticsWS.dataY(lowerIdx + j)
+ ys[0] = 1.0
+ return beamStopDiagnosticsWS
+
+ def _beamStopDiagnosticsEnabled(self, mainWS, report):
+ """Return true if beam stop diagnostics are enabled, false otherwise."""
+ beamStopDiagnostics = self.getProperty(common.PROP_BEAM_STOP_DIAGNOSTICS).value
+ if beamStopDiagnostics == common.BEAM_STOP_DIAGNOSTICS_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('beam_stop_diagnostics_spectra'):
+ return True
+ return False
+ elif beamStopDiagnostics == common.BEAM_STOP_DIAGNOSTICS_ON:
+ instrument = mainWS.getInstrument()
+ if not instrument.hasParameter('beam_stop_diagnostics_spectra'):
+ report.error("'beam_stop_diagnostics_spectra' missing from instrument parameters. "
+ + "Beam stop diagnostics disabled.")
+ return False
+ return True
+ return False
+
+ def _bkgDiagnostics(self, mainWS, maskWS, wsNames, wsCleanup, report, subalgLogging):
+ """Perform background diagnostics."""
+ eppWS = self.getProperty(common.PROP_EPP_WS).value
+ sigmaMultiplier = self.getProperty(common.PROP_BKG_SIGMA_MULTIPLIER).value
+ integratedBkgs = _integrateBkgs(mainWS, eppWS, sigmaMultiplier, wsNames, wsCleanup, subalgLogging)
+ lowThreshold = self.getProperty(common.PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD).value
+ highThreshold = self.getProperty(common.PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD).value
+ significanceTest = self.getProperty(common.PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST).value
+ settings = _DiagnosticsSettings(lowThreshold, highThreshold, significanceTest)
+ bkgDiagnosticsWS = _bkgDiagnostics(integratedBkgs, settings, wsNames, subalgLogging)
+ return (bkgDiagnosticsWS, integratedBkgs)
+
+ def _bkgDiagnosticsEnabled(self, mainWS, report):
+ """Return true if background diagnostics are enabled, false otherwise."""
+ bkgDiagnostics = self.getProperty(common.PROP_BKG_DIAGNOSTICS).value
+ if bkgDiagnostics == common.BKG_DIAGNOSTICS_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_background_diagnostics'):
+ enabled = instrument.getBoolParameter('enable_background_diagnostics')[0]
+ if not enabled:
+ report.notice('Background diagnostics disable by the IPF.')
+ return False
+ report.notice('Background diagnostics enabled.')
+ return True
+ return bkgDiagnostics == common.BKG_DIAGNOSTICS_ON
+
+ def _defaultMask(self, mainWS, wsNames, wsCleanup, report, algorithmLogging):
+ """Load instrument specific default mask or return None if not available."""
+ option = self.getProperty(common.PROP_DEFAULT_MASK).value
+ if option == common.DEFAULT_MASK_OFF:
+ return None
+ instrument = mainWS.getInstrument()
+ instrumentName = instrument.getName()
+ if not instrument.hasParameter('Workflow.MaskFile'):
+ report.notice('No default mask available for ' + instrumentName + '.')
+ return None
+ maskFilename = instrument.getStringParameter('Workflow.MaskFile')[0]
+ maskFile = os.path.join(mantid.config.getInstrumentDirectory(), 'masks', maskFilename)
+ defaultMaskWSName = wsNames.withSuffix('default_mask')
+ defaultMaskWS = LoadMask(Instrument=instrumentName,
+ InputFile=maskFile,
+ RefWorkspace=mainWS,
+ OutputWorkspace=defaultMaskWSName,
+ EnableLogging=algorithmLogging)
+ report.notice('Default mask loaded from ' + maskFilename)
+ return defaultMaskWS
+
+ def _finalize(self, outWS, wsCleanup, report):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+ report.toLog(self.log())
+
+ def _inputWS(self, wsNames, wsCleanup, subalgLogging):
+ """Return the raw input workspace."""
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _outputReports(self, reportWS, defaultMaskedSpectra, userMaskedSpectra, directBeamMaskedSpectra,
+ peakMaskedSpectra, bkgMaskedSpectra):
+ """Set the optional output report properties."""
+ if reportWS is not None:
+ self.setProperty(common.PROP_OUTPUT_DIAGNOSTICS_REPORT_WS, reportWS)
+ report = 'Spectra masked by default mask file:\n'
+ report += _maskedListToStr(defaultMaskedSpectra)
+ report += '\nSpectra masked by user:\n'
+ report += _maskedListToStr(userMaskedSpectra)
+ report += '\nSpectra masked by beam stop diagnostics:\n'
+ report += _maskedListToStr(directBeamMaskedSpectra)
+ report += '\nSpectra marked as bad by elastic peak diagnostics:\n'
+ report += _maskedListToStr(peakMaskedSpectra)
+ report += '\nSpectra marked as bad by flat background diagnostics:\n'
+ report += _maskedListToStr(bkgMaskedSpectra)
+ self.setProperty(common.PROP_OUTPUT_DIAGNOSTICS_REPORT, report)
+
+ def _peakDiagnostics(self, mainWS, maskWS, wsNames, wsCleanup, report, subalgLogging):
+ """Perform elastic peak diagnostics."""
+ eppWS = self.getProperty(common.PROP_EPP_WS).value
+ sigmaMultiplier = self.getProperty(common.PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER).value
+ integratedPeaksWS = _integrateElasticPeaks(mainWS, eppWS, sigmaMultiplier, wsNames, wsCleanup, subalgLogging)
+ lowThreshold = self.getProperty(common.PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD).value
+ highThreshold = self.getProperty(common.PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD).value
+ significanceTest = self.getProperty(common.PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST).value
+ settings = _DiagnosticsSettings(lowThreshold, highThreshold, significanceTest)
+ peakDiagnosticsWS = _elasticPeakDiagnostics(integratedPeaksWS, settings, wsNames, subalgLogging)
+ return (peakDiagnosticsWS, integratedPeaksWS)
+
+ def _peakDiagnosticsEnabled(self, mainWS, report):
+ """Return true if elastic peak diagnostics are enabled, false otherwise."""
+ peakDiagnostics = self.getProperty(common.PROP_ELASTIC_PEAK_DIAGNOSTICS).value
+ if peakDiagnostics == common.ELASTIC_PEAK_DIAGNOSTICS_AUTO:
+ instrument = mainWS.getInstrument()
+ if instrument.hasParameter('enable_elastic_peak_diagnostics'):
+ enabled = instrument.getBoolParameter('enable_elastic_peak_diagnostics')[0]
+ if not enabled:
+ report.notice('Elastic peak diagnostics disabled by the IPF.')
+ return False
+ report.notice('Elastic peak diagnostics enabled.')
+ return True
+ return peakDiagnostics == common.ELASTIC_PEAK_DIAGNOSTICS_ON
+
+ def _userMask(self, mainWS, wsNames, wsCleanup, algorithmLogging):
+ """Return combined masked spectra and components."""
+ userMask = self.getProperty(common.PROP_USER_MASK).value
+ maskComponents = self.getProperty(common.PROP_USER_MASK_COMPONENTS).value
+ maskWSName = wsNames.withSuffix('user_mask')
+ maskWS = _createMaskWS(mainWS, maskWSName, algorithmLogging)
+ MaskDetectors(Workspace=maskWS,
+ DetectorList=userMask,
+ ComponentList=maskComponents,
+ EnableLogging=algorithmLogging)
+ maskWS, detectorLsit = ExtractMask(InputWorkspace=maskWS,
+ OutputWorkspace=maskWSName,
+ EnableLogging=algorithmLogging)
+ return maskWS
+
+
+AlgorithmFactory.subscribe(DirectILLDiagnostics)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadium.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadium.py
new file mode 100644
index 0000000000000000000000000000000000000000..cfb855d68a7edd420b5dafba10579f65ca0de29a
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadium.py
@@ -0,0 +1,163 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, InstrumentValidator, ITableWorkspaceProperty,
+ MatrixWorkspaceProperty, Progress, PropertyMode, WorkspaceProperty, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direction, EnabledWhenProperty, FloatBoundedValidator, Property,
+ PropertyCriterion, StringListValidator)
+from mantid.simpleapi import (ComputeCalibrationCoefVan, Integration)
+import numpy
+
+
+class DirectILLIntegrateVanadium(DataProcessorAlgorithm):
+ """A workflow algorithm which integrates the vanadium data."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLIntegrateVanadium'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'Integrate vanadium workspace. Part of the TOF workflow at ILL.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Executes the data reduction workflow."""
+ progress = Progress(self, 0.0, 1.0, 3)
+ subalgLogging = self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ progress.report('Loading inputs')
+ mainWS = self._inputWS(wsCleanup)
+
+ progress.report('Integrating')
+ mainWS = self._integrate(mainWS, wsCleanup, subalgLogging)
+
+ self._finalize(mainWS, wsCleanup)
+ progress.report('Done')
+
+ def PyInit(self):
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+ positiveFloat = FloatBoundedValidator(lower=0)
+
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ optional=PropertyMode.Mandatory,
+ direction=Direction.Input),
+ doc='Input workspace.')
+ self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='The output of the algorithm.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(ITableWorkspaceProperty(
+ name=common.PROP_EPP_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Mandatory),
+ doc='Table workspace containing results from the FindEPP algorithm.')
+ self.declareProperty(name=common.PROP_DWF_CORRECTION,
+ defaultValue=common.DWF_ON,
+ validator=StringListValidator([
+ common.DWF_ON,
+ common.DWF_OFF]),
+ direction=Direction.Input,
+ doc='Enable or disable the correction for the Debye-Waller factor for ' + common.PROP_OUTPUT_WS + '.')
+ self.declareProperty(name=common.PROP_TEMPERATURE,
+ defaultValue=Property.EMPTY_DBL,
+ validator=positiveFloat,
+ direction=Direction.Input,
+ doc='Experimental temperature (Vanadium ' +
+ 'reduction type only) for the Debye-Waller correction, in Kelvins.')
+ self.setPropertySettings(common.PROP_TEMPERATURE, EnabledWhenProperty(common.PROP_DWF_CORRECTION,
+ PropertyCriterion.IsDefault))
+
+ def _inputWS(self, wsCleanup):
+ """Return the raw input workspace."""
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _finalize(self, outWS, wsCleanup):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+
+ def _integrate(self, mainWS, wsCleanup, subalgLogging):
+ """Integrate mainWS applying Debye-Waller correction, if requested."""
+ eppWS = self.getProperty(common.PROP_EPP_WS).value
+ calibrationWS = self.getPropertyValue(common.PROP_OUTPUT_WS)
+ if self.getProperty(common.PROP_DWF_CORRECTION).value == common.DWF_ON:
+ if not self.getProperty(common.PROP_TEMPERATURE).isDefault:
+ temperature = self.getProperty(common.PROP_TEMPERATURE).value
+ else:
+ temperature = 293.0
+ ILL_TEMPERATURE_ENTRY = 'sample.temperature'
+ if mainWS.run().hasProperty(ILL_TEMPERATURE_ENTRY):
+ temperatureProperty = mainWS.run().getProperty(ILL_TEMPERATURE_ENTRY)
+ if hasattr(temperatureProperty, 'getStatistics'):
+ temperature = temperatureProperty.getStatistics().mean
+ else:
+ temperature = temperatureProperty.value
+ calibrationWS = ComputeCalibrationCoefVan(VanadiumWorkspace=mainWS,
+ EPPTable=eppWS,
+ OutputWorkspace=calibrationWS,
+ Temperature=temperature,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return calibrationWS
+ # No DWF correction - integrate manually.
+ # TODO revise when ComputeCalibrationCoefVan supports this option.
+ size = eppWS.rowCount()
+ starts = numpy.zeros(size)
+ ends = numpy.zeros(size)
+ for i in range(size):
+ row = eppWS.row(i)
+ if row['FitStatus'] == 'success':
+ fwhm = 2.0 * numpy.sqrt(2.0 * numpy.log(2.0)) * row['Sigma']
+ centre = row['PeakCentre']
+ starts[i] = centre - 3.0 * fwhm
+ ends[i] = centre + 3.0 * fwhm
+ calibrationWS = Integration(InputWorkspace=mainWS,
+ OutputWorkspace=calibrationWS,
+ RangeLowerList=starts,
+ RangeUpperList=ends,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return calibrationWS
+
+
+AlgorithmFactory.subscribe(DirectILLIntegrateVanadium)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLReduction.py
new file mode 100644
index 0000000000000000000000000000000000000000..05827a29ce0b13b2c051a337ae6993a8f567c3d1
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLReduction.py
@@ -0,0 +1,487 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, InstrumentValidator,
+ MatrixWorkspaceProperty, Progress, PropertyMode, WorkspaceProperty, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direction, FloatArrayProperty, StringListValidator)
+from mantid.simpleapi import (BinWidthAtX, CloneWorkspace, ConvertSpectrumAxis, ConvertUnits, CorrectKiKf, DetectorEfficiencyCorUser,
+ Divide, GroupDetectors, MaskDetectors, Rebin, Scale, SofQWNormalisedPolygon, Transpose)
+import math
+import numpy
+import roundinghelper
+from scipy import constants
+
+
+def _absoluteUnits(ws, vanaWS, wsNames, wsCleanup, report, algorithmLogging):
+ """Scales ws by an absolute units factor."""
+ sampleMaterial = ws.sample().getMaterial()
+ sampleNumberDensity = sampleMaterial.numberDensity
+ vanaMaterial = vanaWS.sample().getMaterial()
+ vanaNumberDensity = vanaMaterial.numberDensity
+ vanaCrossSection = vanaMaterial.totalScatterXSection()
+ factor = vanaNumberDensity / sampleNumberDensity * vanaCrossSection
+ if factor <= 0 or math.isnan(factor) or math.isinf(factor):
+ raise RuntimeError('Invalid absolute units normalisation factor: {}'.format(factor))
+ report.notice('Absolute units scaling factor: {}'.format(factor))
+ scaledWSName = wsNames.withSuffix('absolute_units')
+ scaledWS = Scale(InputWorkspace=ws,
+ OutputWorkspace=scaledWSName,
+ Factor=factor,
+ EnableLogging=algorithmLogging)
+ wsCleanup.cleanup(ws)
+ return scaledWS
+
+
+def _createDetectorGroups(ws):
+ """Find workspace indices with (almost) same theta and group them. Masked
+ detectors are ignored.
+ """
+ numHistograms = ws.getNumberHistograms()
+ groups = list()
+ detectorGrouped = numHistograms * [False]
+ spectrumInfo = ws.spectrumInfo()
+ twoThetas = numpy.empty(numHistograms)
+ for i in range(numHistograms):
+ det = ws.getDetector(i)
+ twoThetas[i] = ws.detectorTwoTheta(det)
+ for i in range(numHistograms):
+ if spectrumInfo.isMasked(i) or detectorGrouped[i]:
+ continue
+ twoTheta1 = twoThetas[i]
+ currentGroup = [ws.getDetector(i).getID()]
+ twoThetaDiff = numpy.abs(twoThetas[i + 1:] - twoTheta1)
+ equalTwoThetas = numpy.flatnonzero(twoThetaDiff < 0.01 / 180.0 * constants.pi)
+ for j in (i + 1) + equalTwoThetas:
+ if spectrumInfo.isMasked(int(j)):
+ continue
+ currentGroup.append(ws.getDetector(int(j)).getID())
+ detectorGrouped[j] = True
+ groups.append(currentGroup)
+ return groups
+
+
+def _deltaQ(ws):
+ """Estimate a q bin width for a S(theta, w) workspace."""
+ deltaTheta = _medianDeltaTheta(ws)
+ wavelength = ws.run().getProperty('wavelength').value
+ return 2.0 * constants.pi / wavelength * deltaTheta
+
+
+def _detectorGroupsToXml(groups, instrument):
+ """Create grouping pattern XML tree from detector groups."""
+ from xml.etree import ElementTree
+ rootElement = ElementTree.Element('detector-grouping', {'instrument': 'IN5'})
+ for group in groups:
+ name = str(group.pop())
+ groupElement = ElementTree.SubElement(rootElement, 'group', {'name': name})
+ detIds = name
+ for detId in group:
+ detIds += ',' + str(detId)
+ ElementTree.SubElement(groupElement, 'detids', {'val': detIds})
+ return rootElement
+
+
+def _energyBinning(ws, algorithmLogging):
+ """Create common (but nonequidistant) binning for a DeltaE workspace."""
+ xs = ws.extractX()
+ minXIndex = numpy.nanargmin(xs[:, 0])
+ # TODO Fix logging.
+ dx = BinWidthAtX(InputWorkspace=ws,
+ X=0.0,
+ EnableLogging=algorithmLogging)
+ lastX = numpy.max(xs[:, -1])
+ binCount = ws.blocksize()
+ borders = list()
+ templateXs = xs[minXIndex, :]
+ currentX = numpy.nan
+ for i in range(binCount):
+ currentX = templateXs[i]
+ borders.append(currentX)
+ if currentX > 0:
+ break
+ i = 1
+ equalBinStart = borders[-1]
+ while currentX < lastX:
+ currentX = equalBinStart + i * dx
+ borders.append(currentX)
+ i += 1
+ borders[-1] = lastX
+ return numpy.array(borders)
+
+
+def _medianDeltaTheta(ws):
+ """Calculate the median theta spacing for a S(theta, w) workspace."""
+ thetas = list()
+ spectrumInfo = ws.spectrumInfo()
+ for i in range(ws.getNumberHistograms()):
+ if (not spectrumInfo.isMasked(i) and spectrumInfo.hasDetectors(i) and
+ not spectrumInfo.isMonitor(i)):
+ det = ws.getDetector(i)
+ twoTheta = ws.detectorTwoTheta(det)
+ thetas.append(twoTheta)
+ if not thetas:
+ raise RuntimeError('No usable detectors for median DTheta ' +
+ 'calculation.')
+ dThetas = numpy.diff(thetas)
+ return numpy.median(dThetas[dThetas > numpy.radians(0.1)])
+
+
+def _minMaxQ(ws):
+ """Estimate the start and end q bins for a S(theta, w) workspace."""
+ Ei = ws.run().getProperty('Ei').value * 1e-3 * constants.e # in Joules
+ xs = ws.readX(0)
+ minW = xs[0] * 1e-3 * constants.e # in Joules
+ maxEf = Ei - minW
+ # In Ånströms
+ maxQ = numpy.sqrt(2.0 * constants.m_n / constants.hbar**2 *
+ (Ei + maxEf - 2 * numpy.sqrt(Ei * maxEf) * -1.0)) * 1e-10
+ minQ = 0.0
+ return (minQ, maxQ)
+
+
+def _rebin(ws, params, wsNames, algorithmLogging):
+ """Rebin a workspace."""
+ rebinnedWSName = wsNames.withSuffix('rebinned')
+ rebinnedWS = Rebin(InputWorkspace=ws,
+ OutputWorkspace=rebinnedWSName,
+ Params=params,
+ EnableLogging=algorithmLogging)
+ return rebinnedWS
+
+
+def _writeXml(element, filename):
+ """Write XML element to a file."""
+ from xml.etree import ElementTree
+ with open(filename, mode='wb') as outFile:
+ ElementTree.ElementTree(element).write(outFile)
+
+
+class DirectILLReduction(DataProcessorAlgorithm):
+ """A data reduction workflow algorithm for the direct geometry TOF spectrometers at ILL."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLReduction'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'Data reduction workflow for the direct geometry time-of-flight spectrometers at ILL.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Executes the data reduction workflow."""
+ progress = Progress(self, 0.0, 1.0, 9)
+ report = common.Report()
+ subalgLogging = False
+ if self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON:
+ subalgLogging = True
+ wsNamePrefix = self.getProperty(common.PROP_OUTPUT_WS).valueAsStr
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsNames = common.NameSource(wsNamePrefix, cleanupMode)
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ # The variables 'mainWS' and 'monWS shall hold the current main
+ # data throughout the algorithm.
+
+ # Get input workspace.
+ progress.report('Loading inputs')
+ mainWS = self._inputWS(wsNames, wsCleanup, subalgLogging)
+
+ progress.report('Applying diagnostics')
+ mainWS = self._applyDiagnostics(mainWS, wsNames, wsCleanup, subalgLogging)
+
+ # Vanadium normalization.
+ progress.report('Normalising to vanadium')
+ mainWS = self._normalizeToVana(mainWS, wsNames, wsCleanup, report, subalgLogging)
+
+ # Convert units from TOF to energy.
+ progress.report('Converting to energy')
+ mainWS = self._convertTOFToDeltaE(mainWS, wsNames, wsCleanup,
+ subalgLogging)
+
+ # KiKf conversion.
+ mainWS = self._correctByKiKf(mainWS, wsNames,
+ wsCleanup, subalgLogging)
+
+ # Rebinning.
+ progress.report('Rebinning in energy')
+ mainWS = self._rebinInW(mainWS, wsNames, wsCleanup, report,
+ subalgLogging)
+
+ # Detector efficiency correction.
+ progress.report('Correcting detector efficiency')
+ mainWS = self._correctByDetectorEfficiency(mainWS, wsNames,
+ wsCleanup, subalgLogging)
+
+ progress.report('Grouping detectors')
+ mainWS = self._groupDetectors(mainWS, wsNames, wsCleanup,
+ subalgLogging)
+
+ self._outputWSConvertedToTheta(mainWS, wsNames, wsCleanup,
+ subalgLogging)
+
+ progress.report('Converting to q')
+ mainWS = self._sOfQW(mainWS, wsNames, wsCleanup, report, subalgLogging)
+ mainWS = self._transpose(mainWS, wsNames, wsCleanup, subalgLogging)
+ self._finalize(mainWS, wsCleanup, report)
+ progress.report('Done')
+
+ def PyInit(self):
+ """Initialize the algorithm's input and output properties."""
+ PROPGROUP_REBINNING = 'Rebinning for SofQW'
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+
+ # Properties.
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ direction=Direction.Input),
+ doc='Input workspace.')
+ self.declareProperty(WorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='The output of the algorithm.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_VANA_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Reduced vanadium workspace.')
+ self.declareProperty(name=common.PROP_ABSOLUTE_UNITS,
+ defaultValue=common.ABSOLUTE_UNITS_OFF,
+ validator=StringListValidator([
+ common.ABSOLUTE_UNITS_OFF,
+ common.ABSOLUTE_UNITS_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable normalisation to absolute units.')
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_DIAGNOSTICS_WS,
+ defaultValue='',
+ direction=Direction.Input,
+ optional=PropertyMode.Optional),
+ doc='Detector diagnostics workspace obtained from another ' +
+ 'reduction run.')
+ self.declareProperty(FloatArrayProperty(name=common.PROP_REBINNING_PARAMS_W),
+ doc='Manual energy rebinning parameters.')
+ self.setPropertyGroup(common.PROP_REBINNING_PARAMS_W, PROPGROUP_REBINNING)
+ self.declareProperty(FloatArrayProperty(name=common.PROP_BINNING_PARAMS_Q),
+ doc='Manual q rebinning parameters.')
+ self.setPropertyGroup(common.PROP_BINNING_PARAMS_Q, PROPGROUP_REBINNING)
+ self.declareProperty(name=common.PROP_TRANSPOSE_SAMPLE_OUTPUT,
+ defaultValue=common.TRANSPOSING_ON,
+ validator=StringListValidator([
+ common.TRANSPOSING_ON,
+ common.TRANSPOSING_OFF]),
+ direction=Direction.Input,
+ doc='Enable or disable ' + common.PROP_OUTPUT_WS + ' transposing.')
+ self.declareProperty(WorkspaceProperty(
+ name=common.PROP_OUTPUT_THETA_W_WS,
+ defaultValue='',
+ direction=Direction.Output,
+ optional=PropertyMode.Optional),
+ doc='Output workspace for reduced S(theta, DeltaE).')
+ self.setPropertyGroup(common.PROP_OUTPUT_THETA_W_WS,
+ common.PROPGROUP_OPTIONAL_OUTPUT)
+
+ def validateInputs(self):
+ """Check for issues with user input."""
+ # TODO
+ return dict()
+
+ def _applyDiagnostics(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Mask workspace according to diagnostics."""
+ if self.getProperty(common.PROP_DIAGNOSTICS_WS).isDefault:
+ return mainWS
+ diagnosticsWS = self.getProperty(common.PROP_DIAGNOSTICS_WS).value
+ maskedWSName = wsNames.withSuffix('diagnostics_applied')
+ maskedWS = CloneWorkspace(InputWorkspace=mainWS,
+ OutputWorkspace=maskedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ diagnosticsWS = self.getProperty(common.PROP_DIAGNOSTICS_WS).value
+ MaskDetectors(Workspace=maskedWS,
+ MaskedWorkspace=diagnosticsWS,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return maskedWS
+
+ def _convertTOFToDeltaE(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Convert the X axis units from time-of-flight to energy transfer."""
+ energyConvertedWSName = wsNames.withSuffix('energy_converted')
+ energyConvertedWS = ConvertUnits(InputWorkspace=mainWS,
+ OutputWorkspace=energyConvertedWSName,
+ Target='DeltaE',
+ EMode='Direct',
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return energyConvertedWS
+
+ def _correctByDetectorEfficiency(self, mainWS, wsNames, wsCleanup,
+ subalgLogging):
+ """Apply detector efficiency corrections."""
+ correctedWSName = wsNames.withSuffix('detector_efficiency_corrected')
+ correctedWS = \
+ DetectorEfficiencyCorUser(InputWorkspace=mainWS,
+ OutputWorkspace=correctedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return correctedWS
+
+ def _correctByKiKf(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Apply the k_i / k_f correction."""
+ correctedWSName = wsNames.withSuffix('kikf')
+ correctedWS = CorrectKiKf(InputWorkspace=mainWS,
+ OutputWorkspace=correctedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return correctedWS
+
+ def _finalize(self, outWS, wsCleanup, report):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+ report.toLog(self.log())
+
+ def _groupDetectors(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Group detectors with similar thetas."""
+ import os
+ import tempfile
+ groups = _createDetectorGroups(mainWS)
+ instrumentName = mainWS.getInstrument().getName()
+ groupsXml = _detectorGroupsToXml(groups, instrumentName)
+ fileHandle, path = tempfile.mkstemp(suffix='.xml', prefix='grouping-{}-'.format(instrumentName))
+ _writeXml(groupsXml, path)
+ os.close(fileHandle)
+ groupedWSName = wsNames.withSuffix('grouped_detectors')
+ groupedWS = GroupDetectors(InputWorkspace=mainWS,
+ OutputWorkspace=groupedWSName,
+ MapFile=path,
+ KeepUngroupedSpectra=False,
+ Behaviour='Average',
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ os.remove(path)
+ return groupedWS
+
+ def _inputWS(self, wsNames, wsCleanup, subalgLogging):
+ """Return the raw input workspace."""
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _normalizeToVana(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Normalize to vanadium workspace."""
+ if self.getProperty(common.PROP_VANA_WS).isDefault:
+ return mainWS
+ vanaWS = self.getProperty(common.PROP_VANA_WS).value
+ vanaNormalizedWSName = wsNames.withSuffix('vanadium_normalized')
+ vanaNormalizedWS = Divide(LHSWorkspace=mainWS,
+ RHSWorkspace=vanaWS,
+ OutputWorkspace=vanaNormalizedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ if self.getProperty(common.PROP_ABSOLUTE_UNITS).value == common.ABSOLUTE_UNITS_ON:
+ vanaNormalizedWS = _absoluteUnits(vanaNormalizedWS, vanaWS, wsNames, wsCleanup, report,
+ subalgLogging)
+ return vanaNormalizedWS
+
+ def _outputWSConvertedToTheta(self, mainWS, wsNames, wsCleanup,
+ subalgLogging):
+ """If requested, convert the spectrum axis to theta and save the result
+ into the proper output property.
+ """
+ thetaWSName = self.getProperty(common.PROP_OUTPUT_THETA_W_WS).valueAsStr
+ if thetaWSName:
+ thetaWSName = self.getProperty(common.PROP_OUTPUT_THETA_W_WS).value
+ thetaWS = ConvertSpectrumAxis(InputWorkspace=mainWS,
+ OutputWorkspace=thetaWSName,
+ Target='Theta',
+ EMode='Direct',
+ EnableLogging=subalgLogging)
+ self.setProperty(common.PROP_OUTPUT_THETA_W_WS, thetaWS)
+
+ def _rebinInW(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Rebin the horizontal axis of a workspace."""
+ if self.getProperty(common.PROP_REBINNING_PARAMS_W).isDefault:
+ binBorders = _energyBinning(mainWS, subalgLogging)
+ params = list()
+ binWidths = numpy.diff(binBorders)
+ for start, width in zip(binBorders[:-1], binWidths):
+ params.append(start)
+ params.append(width)
+ params.append(binBorders[-1])
+ else:
+ params = self.getProperty(common.PROP_REBINNING_PARAMS_W).value
+ rebinnedWS = _rebin(mainWS, params, wsNames, subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return rebinnedWS
+
+ def _sOfQW(self, mainWS, wsNames, wsCleanup, report, subalgLogging):
+ """Run the SofQWNormalisedPolygon algorithm."""
+ sOfQWWSName = wsNames.withSuffix('sofqw')
+ if self.getProperty(common.PROP_BINNING_PARAMS_Q).isDefault:
+ qMin, qMax = _minMaxQ(mainWS)
+ dq = _deltaQ(mainWS)
+ dq = 10 * roundinghelper.round(dq, roundinghelper.ROUNDING_TEN_TO_INT)
+ params = [qMin, dq, qMax]
+ report.notice('Binned momentum transfer axis to bin width {0}.'.format(dq))
+ else:
+ params = self.getProperty(common.PROP_BINNING_PARAMS_Q).value
+ Ei = mainWS.run().getLogData('Ei').value
+ sOfQWWS = SofQWNormalisedPolygon(InputWorkspace=mainWS,
+ OutputWorkspace=sOfQWWSName,
+ QAxisBinning=params,
+ EMode='Direct',
+ EFixed=Ei,
+ ReplaceNaNs=False,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return sOfQWWS
+
+ def _transpose(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Transpose the final output workspace."""
+ transposing = self.getProperty(common.PROP_TRANSPOSE_SAMPLE_OUTPUT).value
+ if transposing == common.TRANSPOSING_OFF:
+ return mainWS
+ transposedWSName = wsNames.withSuffix('transposed')
+ transposedWS = Transpose(InputWorkspace=mainWS,
+ OutputWorkspace=transposedWSName,
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(mainWS)
+ return transposedWS
+
+
+AlgorithmFactory.subscribe(DirectILLReduction)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShielding.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShielding.py
new file mode 100644
index 0000000000000000000000000000000000000000..9148b8dd70597377b4342ef0f056dc2333e27d29
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShielding.py
@@ -0,0 +1,172 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+import DirectILL_common as common
+from mantid.api import (AlgorithmFactory, DataProcessorAlgorithm, InstrumentValidator,
+ MatrixWorkspaceProperty, PropertyMode, WorkspaceUnitValidator)
+from mantid.kernel import (CompositeValidator, Direction, EnabledWhenProperty, IntBoundedValidator,
+ Property, PropertyCriterion, StringListValidator)
+from mantid.simpleapi import (ConvertUnits, MonteCarloAbsorption)
+
+
+class DirectILLSelfShielding(DataProcessorAlgorithm):
+ """A workflow algorithm for self-shielding corrections."""
+
+ def __init__(self):
+ """Initialize an instance of the algorithm."""
+ DataProcessorAlgorithm.__init__(self)
+
+ def category(self):
+ """Return the algorithm's category."""
+ return 'Workflow\\Inelastic'
+
+ def name(self):
+ """Return the algorithm's name."""
+ return 'DirectILLSelfShielding'
+
+ def summary(self):
+ """Return a summary of the algorithm."""
+ return 'Calculates self-shielding correction for the direct geometry TOF spectrometers at ILL.'
+
+ def version(self):
+ """Return the algorithm's version."""
+ return 1
+
+ def PyExec(self):
+ """Execute the algorithm."""
+ subalgLogging = self.getProperty(common.PROP_SUBALG_LOGGING).value == common.SUBALG_LOGGING_ON
+ wsNamePrefix = self.getProperty(common.PROP_OUTPUT_WS).valueAsStr
+ cleanupMode = self.getProperty(common.PROP_CLEANUP_MODE).value
+ wsNames = common.NameSource(wsNamePrefix, cleanupMode)
+ wsCleanup = common.IntermediateWSCleanup(cleanupMode, subalgLogging)
+
+ # Get input workspace.
+ mainWS = self._inputWS(wsNames, wsCleanup, subalgLogging)
+
+ # Self shielding and empty container subtraction, if requested.
+ correctionWS = self._selfShielding(mainWS, wsNames, wsCleanup, subalgLogging)
+
+ self._finalize(correctionWS, wsCleanup)
+
+ def PyInit(self):
+ """Initialize the algorithm's input and output properties."""
+ PROPGROUP_SIMULATION_INSTRUMENT = 'Simulation Instrument Settings'
+ greaterThanOneInt = IntBoundedValidator(lower=2)
+ greaterThanTwoInt = IntBoundedValidator(lower=3)
+ inputWorkspaceValidator = CompositeValidator()
+ inputWorkspaceValidator.add(InstrumentValidator())
+ inputWorkspaceValidator.add(WorkspaceUnitValidator('TOF'))
+
+ # Properties.
+ self.declareProperty(MatrixWorkspaceProperty(
+ name=common.PROP_INPUT_WS,
+ defaultValue='',
+ validator=inputWorkspaceValidator,
+ optional=PropertyMode.Optional,
+ direction=Direction.Input),
+ doc='Input workspace.')
+ self.declareProperty(MatrixWorkspaceProperty(name=common.PROP_OUTPUT_WS,
+ defaultValue='',
+ direction=Direction.Output),
+ doc='The output corrections workspace.')
+ self.declareProperty(name=common.PROP_CLEANUP_MODE,
+ defaultValue=common.CLEANUP_ON,
+ validator=StringListValidator([
+ common.CLEANUP_ON,
+ common.CLEANUP_OFF]),
+ direction=Direction.Input,
+ doc='What to do with intermediate workspaces.')
+ self.declareProperty(name=common.PROP_SUBALG_LOGGING,
+ defaultValue=common.SUBALG_LOGGING_OFF,
+ validator=StringListValidator([
+ common.SUBALG_LOGGING_OFF,
+ common.SUBALG_LOGGING_ON]),
+ direction=Direction.Input,
+ doc='Enable or disable subalgorithms to ' +
+ 'print in the logs.')
+ self.declareProperty(name=common.PROP_SIMULATION_INSTRUMENT,
+ defaultValue=common.SIMULATION_INSTRUMEN_SPARSE,
+ validator=StringListValidator([
+ common.SIMULATION_INSTRUMEN_SPARSE,
+ common.SIMULATION_INSTRUMENT_FULL]),
+ direction=Direction.Input,
+ doc='Select if the simulation should be performed on full or approximated instrument.')
+ self.setPropertyGroup(common.PROP_SIMULATION_INSTRUMENT, PROPGROUP_SIMULATION_INSTRUMENT)
+ self.declareProperty(name=common.PROP_SPARSE_INSTRUMENT_ROWS,
+ defaultValue=5,
+ validator=greaterThanTwoInt,
+ direction=Direction.Input,
+ doc='Number of detector rows in sparse simulation instrument.')
+ self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_ROWS, PROPGROUP_SIMULATION_INSTRUMENT)
+ self.setPropertySettings(common.PROP_SPARSE_INSTRUMENT_ROWS, EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
+ PropertyCriterion.IsEqualTo, common.SIMULATION_INSTRUMEN_SPARSE))
+ self.declareProperty(name=common.PROP_SPARSE_INSTRUMENT_COLUMNS,
+ defaultValue=20,
+ validator=greaterThanOneInt,
+ direction=Direction.Input,
+ doc='Number of detector columns in sparse simulation instrument.')
+ self.setPropertyGroup(common.PROP_SPARSE_INSTRUMENT_COLUMNS, PROPGROUP_SIMULATION_INSTRUMENT)
+ self.setPropertySettings(common.PROP_SPARSE_INSTRUMENT_COLUMNS, EnabledWhenProperty(common.PROP_SIMULATION_INSTRUMENT,
+ PropertyCriterion.IsEqualTo, common.SIMULATION_INSTRUMEN_SPARSE))
+ self.declareProperty(name=common.PROP_NUMBER_OF_SIMULATION_WAVELENGTHS,
+ defaultValue=Property.EMPTY_INT,
+ validator=greaterThanTwoInt,
+ direction=Direction.Input,
+ doc='Number of wavelength points where the simulation is performed (default: all).')
+
+ def validateInputs(self):
+ """Check for issues with user input."""
+ return dict()
+
+ def _finalize(self, outWS, wsCleanup):
+ """Do final cleanup and set the output property."""
+ self.setProperty(common.PROP_OUTPUT_WS, outWS)
+ wsCleanup.cleanup(outWS)
+ wsCleanup.finalCleanup()
+
+ def _inputWS(self, wsNames, wsCleanup, subalgLogging):
+ """Return the raw input workspace."""
+ mainWS = self.getProperty(common.PROP_INPUT_WS).value
+ wsCleanup.protect(mainWS)
+ return mainWS
+
+ def _selfShielding(self, mainWS, wsNames, wsCleanup, subalgLogging):
+ """Return the self shielding corrections."""
+ wavelengthWSName = wsNames.withSuffix('input_in_wavelength')
+ wavelengthWS = ConvertUnits(InputWorkspace=mainWS,
+ OutputWorkspace=wavelengthWSName,
+ Target='Wavelength',
+ EMode='Direct',
+ EnableLogging=subalgLogging)
+ wavelengthPoints = self.getProperty(common.PROP_NUMBER_OF_SIMULATION_WAVELENGTHS).value
+ correctionWSName = wsNames.withSuffix('correction')
+ useFullInstrument = self.getProperty(common.PROP_SIMULATION_INSTRUMENT).value == common.SIMULATION_INSTRUMENT_FULL
+ if useFullInstrument:
+ correctionWS = MonteCarloAbsorption(InputWorkspace=wavelengthWS,
+ OutputWorkspace=correctionWSName,
+ SparseInstrument=False,
+ NumberOfWavelengthPoints=wavelengthPoints,
+ Interpolation='CSpline',
+ EnableLogging=subalgLogging)
+ else:
+ rows = self.getProperty(common.PROP_SPARSE_INSTRUMENT_ROWS).value
+ columns = self.getProperty(common.PROP_SPARSE_INSTRUMENT_COLUMNS).value
+ correctionWS = MonteCarloAbsorption(InputWorkspace=wavelengthWS,
+ OutputWorkspace=correctionWSName,
+ SparseInstrument=True,
+ NumberOfDetectorRows=rows,
+ NumberOfDetectorColumns=columns,
+ NumberOfWavelengthPoints=wavelengthPoints,
+ Interpolation='CSpline',
+ EnableLogging=subalgLogging)
+ wsCleanup.cleanup(wavelengthWS)
+ correctionWS = ConvertUnits(InputWorkspace=correctionWS,
+ OutputWorkspace=correctionWSName,
+ Target='TOF',
+ EMode='Direct',
+ EnableLogging=subalgLogging)
+ return correctionWS
+
+
+AlgorithmFactory.subscribe(DirectILLSelfShielding)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILL_common.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILL_common.py
new file mode 100644
index 0000000000000000000000000000000000000000..899657f7afec4fa66911a67f9d684f82685fa30a
--- /dev/null
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/DirectILL_common.py
@@ -0,0 +1,258 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+from mantid.api import mtd
+from mantid.simpleapi import DeleteWorkspace
+
+
+ABSOLUTE_UNITS_OFF = 'Absolute Units OFF'
+ABSOLUTE_UNITS_ON = 'Absolute Units ON'
+
+BEAM_STOP_DIAGNOSTICS_AUTO = 'Beam Stop Diagnostics AUTO'
+BEAM_STOP_DIAGNOSTICS_OFF = 'Beam Stop Diagnostics OFF'
+BEAM_STOP_DIAGNOSTICS_ON = 'Beam Stop Diagnostics ON'
+
+BKG_AUTO = 'Flat Bkg AUTO'
+BKG_OFF = 'Flat Bkg OFF'
+BKG_ON = 'Flat Bkg ON'
+
+BKG_DIAGNOSTICS_AUTO = 'Bkg Diagnostics AUTO'
+BKG_DIAGNOSTICS_OFF = 'Bkg Diagnostics OFF'
+BKG_DIAGNOSTICS_ON = 'Bkg Diagnostics ON'
+
+CLEANUP_OFF = 'Cleanup OFF'
+CLEANUP_ON = 'Cleanup ON'
+
+DEFAULT_MASK_OFF = 'Default Mask OFF'
+DEFAULT_MASK_ON = 'Default Mask ON'
+
+DWF_OFF = 'Correction OFF'
+DWF_ON = 'Correction ON'
+
+ELASTIC_CHANNEL_AUTO = 'Elastic Channel AUTO'
+ELASTIC_CHANNEL_FIT = 'Fit Elastic Channel'
+ELASTIC_CHANNEL_SAMPLE_LOG = 'Default Elastic Channel'
+
+ELASTIC_PEAK_DIAGNOSTICS_AUTO = 'Peak Diagnostics AUTO'
+ELASTIC_PEAK_DIAGNOSTICS_OFF = 'Peak Diagnostics OFF'
+ELASTIC_PEAK_DIAGNOSTICS_ON = 'Peak Diagnostics ON'
+
+EPP_METHOD_AUTO = 'EPP Method AUTO'
+EPP_METHOD_FIT = 'Fit EPP'
+EPP_METHOD_CALCULATE = 'Calculate EPP'
+
+INCIDENT_ENERGY_CALIBRATION_AUTO = 'Energy Calibration AUTO'
+INCIDENT_ENERGY_CALIBRATION_OFF = 'Energy Calibration OFF'
+INCIDENT_ENERGY_CALIBRATION_ON = 'Energy Calibration ON'
+
+INDEX_TYPE_DET_ID = 'Detector ID'
+INDEX_TYPE_WS_INDEX = 'Workspace Index'
+INDEX_TYPE_SPECTRUM_NUMBER = 'Spectrum Number'
+
+NORM_METHOD_MON = 'Normalisation Monitor'
+NORM_METHOD_OFF = 'Normalisation OFF'
+NORM_METHOD_TIME = 'Normalisation Time'
+
+PROP_ABSOLUTE_UNITS = 'AbsoluteUnitsNormalisation'
+PROP_BEAM_STOP_DIAGNOSTICS = 'BeamStopDiagnostics'
+PROP_BEAM_STOP_THRESHOLD = 'BeamStopThreshold'
+PROP_BINNING_PARAMS_Q = 'QBinningParams'
+PROP_BKG_DIAGNOSTICS = 'BkgDiagnostics'
+PROP_BKG_DIAGNOSTICS_HIGH_THRESHOLD = 'NoisyBkgHighThreshold'
+PROP_BKG_DIAGNOSTICS_LOW_THRESHOLD = 'NoisyBkgLowThreshold'
+PROP_BKG_DIAGNOSTICS_SIGNIFICANCE_TEST = 'NoisyBkgErrorThreshold'
+PROP_BKG_SIGMA_MULTIPLIER = 'NonBkgRegionInSigmas'
+PROP_CLEANUP_MODE = 'Cleanup'
+PROP_DEFAULT_MASK = 'DefaultMask'
+PROP_DIAGNOSTICS_WS = 'DiagnosticsWorkspace'
+PROP_DWF_CORRECTION = 'DebyeWallerCorrection'
+PROP_EC_SCALING = 'EmptyContainerScaling'
+PROP_EC_WS = 'EmptyContainerWorkspace'
+PROP_ELASTIC_PEAK_DIAGNOSTICS = 'ElasticPeakDiagnostics'
+PROP_ELASTIC_CHANNEL_MODE = 'ElasticChannel'
+PROP_ELASTIC_CHANNEL_WS = 'ElasticChannelWorkspace'
+PROP_ELASTIC_PEAK_SIGMA_MULTIPLIER = 'ElasticPeakWidthInSigmas'
+PROP_EPP_METHOD = 'EPPCreationMethod'
+PROP_EPP_SIGMA = 'SigmaForCalculatedEPP'
+PROP_EPP_WS = 'EPPWorkspace'
+PROP_FLAT_BKG = 'FlatBkg'
+PROP_FLAT_BKG_SCALING = 'FlatBkgScaling'
+PROP_FLAT_BKG_WINDOW = 'FlatBkgAveragingWindow'
+PROP_FLAT_BKG_WS = 'FlatBkgWorkspace'
+PROP_INCIDENT_ENERGY_CALIBRATION = 'IncidentEnergyCalibration'
+PROP_INCIDENT_ENERGY_WS = 'IncidentEnergyWorkspace'
+PROP_INPUT_FILE = 'Run'
+PROP_INPUT_WS = 'InputWorkspace'
+PROP_MON_EPP_WS = 'MonitorEPPWorkspace'
+PROP_MON_INDEX = 'Monitor'
+PROP_MON_PEAK_SIGMA_MULTIPLIER = 'MonitorPeakWidthInSigmas'
+PROP_NORMALISATION = 'Normalisation'
+PROP_NUMBER_OF_SIMULATION_WAVELENGTHS = 'NumberOfSimulatedWavelengths'
+PROP_OUTPUT_DET_EPP_WS = 'OutputEPPWorkspace'
+PROP_OUTPUT_DIAGNOSTICS_REPORT = 'OutputReport'
+PROP_OUTPUT_DIAGNOSTICS_REPORT_WS = 'OutputReportWorkspace'
+PROP_OUTPUT_ELASTIC_CHANNEL_WS = 'OutputElasticChannelWorkspace'
+PROP_OUTPUT_FLAT_BKG_WS = 'OutputFlatBkgWorkspace'
+PROP_OUTPUT_INCIDENT_ENERGY_WS = 'OutputIncidentEnergyWorkspace'
+PROP_OUTPUT_MON_EPP_WS = 'OutputMonitorEPPWorkspace'
+PROP_OUTPUT_RAW_WS = 'OutputRawWorkspace'
+PROP_OUTPUT_SELF_SHIELDING_CORRECTION_WS = 'OutputSelfShieldingCorrectionWorkspace'
+PROP_OUTPUT_THETA_W_WS = 'OutputSofThetaEnergyWorkspace'
+PROP_OUTPUT_WS = 'OutputWorkspace'
+PROP_PEAK_DIAGNOSTICS_HIGH_THRESHOLD = 'ElasticPeakHighThreshold'
+PROP_PEAK_DIAGNOSTICS_LOW_THRESHOLD = 'ElasticPeakLowThreshold'
+PROP_PEAK_DIAGNOSTICS_SIGNIFICANCE_TEST = 'ElasticPeakErrorThreshold'
+PROP_REBINNING_PARAMS_W = 'EnergyRebinningParams'
+PROP_SELF_SHIELDING_CORRECTION_WS = 'SelfShieldingCorrectionWorkspace'
+PROP_SIMULATION_INSTRUMENT = 'SimulationInstrument'
+PROP_SPARSE_INSTRUMENT_COLUMNS = 'SparseInstrumentColumns'
+PROP_SPARSE_INSTRUMENT_ROWS = 'SparseInstrumentRows'
+PROP_SUBALG_LOGGING = 'SubalgorithmLogging'
+PROP_TEMPERATURE = 'Temperature'
+PROP_TRANSPOSE_SAMPLE_OUTPUT = 'Transposing'
+PROP_USER_MASK = 'MaskedDetectors'
+PROP_USER_MASK_COMPONENTS = 'MaskedComponents'
+PROP_VANA_WS = 'IntegratedVanadiumWorkspace'
+
+PROPGROUP_OPTIONAL_OUTPUT = 'Optional Output'
+
+SIMULATION_INSTRUMENT_FULL = 'Full Instrument'
+SIMULATION_INSTRUMEN_SPARSE = 'Sparse Instrument'
+
+SUBALG_LOGGING_OFF = 'Logging OFF'
+SUBALG_LOGGING_ON = 'Logging ON'
+
+TRANSPOSING_OFF = 'Transposing OFF'
+TRANSPOSING_ON = 'Transposing ON'
+
+WS_CONTENT_DETS = 0
+WS_CONTENT_MONS = 1
+
+
+class IntermediateWSCleanup:
+ """A class to manage intermediate workspace cleanup."""
+
+ def __init__(self, cleanupMode, deleteAlgorithmLogging):
+ """Initialize an instance of the class."""
+ self._deleteAlgorithmLogging = deleteAlgorithmLogging
+ self._doDelete = cleanupMode == CLEANUP_ON
+ self._protected = set()
+ self._toBeDeleted = set()
+
+ def cleanup(self, *args):
+ """Delete the workspaces listed in *args."""
+ for ws in args:
+ self._delete(ws)
+
+ def cleanupLater(self, *args):
+ """Mark the workspaces listed in *args to be cleaned up later."""
+ for arg in args:
+ self._toBeDeleted.add(str(arg))
+
+ def finalCleanup(self):
+ """Delete all workspaces marked to be cleaned up later."""
+ for ws in self._toBeDeleted:
+ self._delete(ws)
+
+ def protect(self, *args):
+ """Mark the workspaces listed in *args to be never deleted."""
+ for arg in args:
+ self._protected.add(str(arg))
+
+ def _delete(self, ws):
+ """Delete the given workspace in ws if it is not protected, and
+ deletion is actually turned on.
+ """
+ if not self._doDelete:
+ return
+ try:
+ ws = str(ws)
+ except RuntimeError:
+ return
+ if ws not in self._protected and mtd.doesExist(ws):
+ DeleteWorkspace(Workspace=ws, EnableLogging=self._deleteAlgorithmLogging)
+
+
+class NameSource:
+ """A class to provide names for intermediate workspaces."""
+
+ def __init__(self, prefix, cleanupMode):
+ """Initialize an instance of the class."""
+ self._names = set()
+ self._prefix = prefix
+ if cleanupMode == CLEANUP_ON:
+ self._prefix = '__' + prefix
+
+ def withSuffix(self, suffix):
+ """Returns a workspace name with given suffix applied."""
+ return self._prefix + '_' + suffix + '_'
+
+
+class Report:
+ """A logger for final report generation."""
+
+ _LEVEL_NOTICE = 0
+ _LEVEL_WARNING = 1
+ _LEVEL_ERROR = 2
+
+ class _Entry:
+ """A private class for report entries."""
+
+ def __init__(self, text, loggingLevel):
+ """Initialize an entry."""
+ self._text = text
+ self._loggingLevel = loggingLevel
+
+ def contents(self):
+ """Return the contents of this entry."""
+ return self._text
+
+ def level(self):
+ """Return the logging level of this entry."""
+ return self._loggingLevel
+
+ def __init__(self):
+ """Initialize a report."""
+ self._entries = list()
+
+ def error(self, text):
+ """Add an error entry to this report."""
+ self._entries.append(Report._Entry(text, Report._LEVEL_ERROR))
+
+ def notice(self, text):
+ """Add an information entry to this report."""
+ self._entries.append(Report._Entry(text, Report._LEVEL_NOTICE))
+
+ def warning(self, text):
+ """Add a warning entry to this report."""
+ self._entries.append(Report._Entry(text, Report._LEVEL_WARNING))
+
+ def toLog(self, log):
+ """Write this report to a log."""
+ for entry in self._entries:
+ loggingLevel = entry.level()
+ if loggingLevel == Report._LEVEL_NOTICE:
+ log.notice(entry.contents())
+ elif loggingLevel == Report._LEVEL_WARNING:
+ log.warning(entry.contents())
+ elif loggingLevel == Report._LEVEL_ERROR:
+ log.error(entry.contents())
+
+
+def convertToWorkspaceIndex(i, ws, indexType=INDEX_TYPE_DET_ID):
+ """Convert given number to workspace index."""
+ if indexType == INDEX_TYPE_WS_INDEX:
+ return i
+ elif indexType == INDEX_TYPE_SPECTRUM_NUMBER:
+ return ws.getIndexFromSpectrumNumber(i)
+ else: # INDEX_TYPE_DET_ID
+ for j in range(ws.getNumberHistograms()):
+ if ws.getSpectrum(j).hasDetectorID(i):
+ return j
+ raise RuntimeError('No workspace index found for detector id {0}'.format(i))
+
+
+def convertListToWorkspaceIndices(indices, ws, indexType=INDEX_TYPE_DET_ID):
+ """Convert a list of spectrum nubmers/detector IDs to workspace indices."""
+ return [convertToWorkspaceIndex(i, ws, indexType) for i in indices]
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
index 44ba5967fbe28d5cff1b633bc31d79176f6b0a58..9d7821aa8ccb0b6d693d6f090214ff8c0507d183 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReduction.py
@@ -52,20 +52,19 @@ class DRangeToWorkspaceMap(object):
def __init__(self):
self._map = {}
- def addWs(self, ws_name, d_range=None):
+ def add_ws(self, workspace, d_range=None):
"""
Takes in the given workspace and lists it alongside its time regime
value. If the time regime has yet to be created, it will create it,
and if there is already a workspace listed beside the time regime, then
the new ws will be appended to that list.
- @param ws_name Name of workspace to add
+ @param workspace The workspace to add
@param d_range Optionally override the dRange
"""
- wrksp = mtd[ws_name]
# Get the time regime of the workspace, and use it to find the DRange.
- time_regime = wrksp.dataX(0)[0]
+ time_regime = workspace.dataX(0)[0]
time_regimes = sorted(TIME_REGIME_TO_DRANGE.keys())
for idx in range(len(time_regimes)):
@@ -81,42 +80,93 @@ class DRangeToWorkspaceMap(object):
if d_range is None:
d_range = TIME_REGIME_TO_DRANGE[time_regime]
else:
- d_range = TIME_REGIME_TO_DRANGE[time_regimes[d_range]]
- logger.information('dRange for workspace %s is %s' % (ws_name, str(d_range)))
+ try:
+ d_range = TIME_REGIME_TO_DRANGE[time_regimes[d_range]]
+ except RuntimeError:
+ raise RuntimeError("Supplied d-range, " + str(d_range) + ", is out of bounds.")
+
+ logger.information('dRange for workspace %s is %s' % (workspace.getName(), str(d_range)))
# Add the workspace to the map, alongside its DRange.
if d_range not in self._map:
- self._map[d_range] = [ws_name]
+ self._map[d_range] = [workspace]
else:
- # check if x ranges matchs and existing run
- for ws_name in self._map[d_range]:
- map_lastx = mtd[ws_name].readX(0)[-1]
- ws_lastx = wrksp.readX(0)[-1]
+
+ # Check if x ranges match an existing run
+ for ws in self._map[d_range]:
+ map_lastx = ws.readX(0)[-1]
+ ws_lastx = workspace.readX(0)[-1]
# if it matches ignore it
if map_lastx == ws_lastx:
- DeleteWorkspace(wrksp)
return
- self._map[d_range].append(ws_name)
+ self._map[d_range].append(workspace)
+
+ def average_across_dranges(self):
+ """
+ Averages workspaces which are mapped to the same drange,
+ removing them from the map and mapping the averaged workspace
+ to that drange.
+ """
+ temp_map = {}
+
+ for d_range, ws_list in self._map.items():
+ ws_list = rebin_to_smallest(*ws_list)
+ temp_map[d_range] = average_ws_list(ws_list)
+
+ self._map = temp_map
+
+ def items(self):
+ """
+ :return: An iterator over key, value tuples in this d-range map.
+ """
+ return self._map.items()
+
+ def keys(self):
+ """
+ :return: An iterator over the keys in this d-range map.
+ """
+ return self._map.keys()
+
+ def values(self):
+ """
+ :return: An iterator over values in this d-range map.
+ """
+ return self._map.values()
- def setItem(self, d_range, ws_name):
+ def __setitem__(self, d_range, ws_name):
"""
Set a dRange and corresponding *single* ws.
"""
self._map[d_range] = ws_name
- def getMap(self):
+ def __iter__(self):
+ """
+ :return: An iterator for this d-range map.
"""
- Get access to wrapped map.
+ return self._map.__iter__()
+
+ def __contains__(self, d_range):
+ """
+ Checks whether this d-range map contains the specified
+ d-range.
+
+ :param d_range: The d-range to check for.
+ :return: True if this d-range map contains the
+ specified d-range. False otherwise.
"""
- return self._map
+ return d_range in self._map
def average_ws_list(ws_list):
"""
- Returns the average of a list of workspaces.
+ Calculates the average of a list of workspaces (not workspace names)
+ - stores the result in a new workspace.
+
+ :param ws_list: The list of workspaces to average.
+ :return: The name of the workspace containing the average.
"""
# Assert we have some ws in the list, and if there is only one then return it.
if len(ws_list) == 0:
@@ -125,23 +175,7 @@ def average_ws_list(ws_list):
if len(ws_list) == 1:
return ws_list[0]
- # Generate the final name of the averaged workspace.
- avName = "avg"
- for name in ws_list:
- avName += "_" + name
-
- numWorkspaces = len(ws_list)
-
- # Compute the average and put into "__temp_avg".
- __temp_avg = mtd[ws_list[0]]
- for i in range(1, numWorkspaces):
- __temp_avg += mtd[ws_list[i]]
-
- __temp_avg /= numWorkspaces
-
- # Rename the average ws and return it.
- RenameWorkspace(InputWorkspace=__temp_avg, OutputWorkspace=avName)
- return avName
+ return sum(ws_list) / len(ws_list)
def find_intersection_of_ranges(rangeA, rangeB):
@@ -175,23 +209,79 @@ def get_intersection_of_ranges(range_list):
the same point. Also, all ranges should obey range[0] <= range[1].
"""
# Find all combinations of ranges, and see where they intersect.
- rangeCombos = list(itertools.combinations(range_list, 2))
- intersections = []
- for rangePair in rangeCombos:
- intersection = find_intersection_of_ranges(rangePair[0], rangePair[1])
- if intersection is not None:
- intersections.append(intersection)
+ range_combos = itertools.combinations(range_list, 2)
+
+ # Retrieve all intersections
+ intersections = (find_intersection_of_ranges(range_pair[0], range_pair[1])
+ for range_pair in range_combos)
+
+ # Filter out None type intersections
+ intersections = filter(lambda intersection: intersection is not None, intersections)
# Return the sorted intersections.
- intersections.sort()
+ intersections = sorted(intersections)
return intersections
def is_in_ranges(range_list, val):
- for myrange in range_list:
- if myrange[0] < val < myrange[1]:
- return True
- return False
+ return any(arange[0] < val < arange[1] for arange in range_list)
+
+
+def list_to_range(array_to_convert):
+ """
+ Converts a specified array to a range representation, based on the
+ following specification -
+
+ Array with one element : Array is returned immediately
+ Array with two or more elements : A range from the first to second element
+ (inclusive) is returned.
+
+ :param array_to_convert: The array to convert to a range.
+ :return: The generated range.
+ """
+
+ if len(array_to_convert) == 1:
+ return array_to_convert
+ else:
+ return range(array_to_convert[0], array_to_convert[1] + 1)
+
+
+def rebin_to_smallest(*workspaces):
+ """
+ Rebins the specified list to the workspace with the smallest
+ x-range in the list.
+
+ :param workspaces: The list of workspaces to rebin to the smallest.
+ :return: The rebinned list of workspaces.
+ """
+ if len(workspaces) == 1:
+ return workspaces
+
+ smallest_idx, smallest_ws = \
+ min(enumerate(workspaces), key=lambda x: x[1].blocksize())
+
+ rebin_alg = AlgorithmManager.create("RebinToWorkspace")
+ rebin_alg.setChild(True)
+ rebin_alg.initialize()
+ rebin_alg.setProperty("WorkspaceToMatch", smallest_ws)
+
+ rebinned_workspaces = []
+ for idx, workspace in enumerate(workspaces):
+
+ # Check whether this is the workspace with the smallest x-range.
+ # No reason to rebin workspace to match itself.
+ # NOTE: In the future this may append workspace.clone() - this will
+ # occur in the circumstance that the input files do not want to be
+ # removed from the ADS.
+ if idx == smallest_idx:
+ rebinned_workspaces.append(workspace)
+ else:
+ rebin_alg.setProperty("WorkspaceToRebin", workspace)
+ rebin_alg.setProperty("OutputWorkspace", "temp")
+ rebin_alg.execute()
+ rebinned_workspaces.append(rebin_alg.getProperty("OutputWorkspace").value)
+
+ return rebinned_workspaces
# pylint: disable=no-init,too-many-instance-attributes
@@ -257,8 +347,11 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
# Note that dRange numbers are offset to match the numbering in the OSIRIS manual
# http://www.isis.stfc.ac.uk/instruments/osiris/documents/osiris-user-guide6672.pdf
- self.declareProperty('DRange', 1, validator=IntBoundedValidator(1, len(TIME_REGIME_TO_DRANGE) + 1),
- doc='Drange to use when DetectDRange is disabled')
+ self.declareProperty('DRange', defaultValue="", doc='Dranges to use when DetectDRange is disabled; a comma'
+ ' separated list should be provided. a-b can be used to'
+ ' create a list of values in the range a-b, inclusively.'
+ ' D-Ranges corresponding to numbers are outlined in the'
+ ' OSIRIS user guide manual.')
self._cal = None
self._output_ws_name = None
@@ -284,13 +377,21 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
self._spec_max = self.getPropertyValue("SpectraMax")
self._man_d_range = None
+
if not self.getProperty("DetectDRange").value:
- self._man_d_range = self.getProperty("DRange").value - 1
+ self._man_d_range = self.getProperty("DRange").value
def validateInputs(self):
self._get_properties()
issues = dict()
+ if self._man_d_range is not None:
+ try:
+ self._man_d_range = self._parse_string_array(self._man_d_range)
+ self._man_d_range = [x - 1 for x in self._man_d_range]
+ except BaseException as exc:
+ issues['DRange'] = str(exc)
+
num_samples = len(self._sample_runs)
num_vanadium = len(self._vanadium_runs)
if num_samples != num_vanadium:
@@ -312,17 +413,24 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
# Load all sample, vanadium files
ipf_file_name = 'OSIRIS_diffraction_diffonly_Parameters.xml'
+ load_opts = {"DeleteMonitors": True}
+
sample_ws_names, _ = load_files(self._sample_runs,
ipf_file_name,
self._spec_min,
self._spec_max,
- load_logs=self._load_logs)
+ load_logs=self._load_logs,
+ load_opts=load_opts)
+
vanadium_ws_names, _ = load_files(self._vanadium_runs,
ipf_file_name,
self._spec_min,
self._spec_max,
- load_logs=self._load_logs)
+ load_logs=self._load_logs,
+ load_opts=load_opts)
+
container_ws_names = []
+ container_workspaces = []
# Load the container run
if self._container_files:
@@ -330,140 +438,269 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
ipf_file_name,
self._spec_min,
self._spec_max,
- load_logs=self._load_logs)
+ load_logs=self._load_logs,
+ load_opts=load_opts)
+
+ # Scale the container run if required
+ if self._container_scale_factor != 1.0:
+
+ # Retrieve function pointers in advance to avoid expensive hash
+ # function on each loop iteration (improves performance)
+ scale_get_property, scale_set_property, scale_exec = self._init_child_algorithm("Scale")
+ scale_set_property("Operation", "Multiply")
+
+ # Scale every container workspace
+ for container_ws_name in container_ws_names:
+ scale_set_property("InputWorkspace", container_ws_name)
+ scale_set_property("Factor", self._container_scale_factor)
+ scale_exec()
+ container_workspaces.append(scale_get_property("OutputWorkspace").value)
+ else:
+ container_workspaces = container_ws_names
- for container in container_ws_names:
+ # Initialize rebin algorithm and retrieve function pointers to improve performance
+ rebin_get_property, rebin_set_property, rebin_exec \
+ = self._init_child_algorithm("RebinToWorkspace")
- # Scale the container run if required
- if self._container_scale_factor != 1.0:
- Scale(InputWorkspace=container,
- OutputWorkspace=container,
- Factor=self._container_scale_factor,
- Operation='Multiply')
+ # Initialize minus algorithm and retrieve function pointers to improve performance
+ minus_get_property, minus_set_property, minus_exec \
+ = self._init_child_algorithm("Minus")
# Add the sample workspaces to the dRange to sample map
- self._sam_ws_map = DRangeToWorkspaceMap()
- for idx in range(len(sample_ws_names)):
- sample = sample_ws_names[idx]
+ for idx, sample_ws_name in enumerate(sample_ws_names):
+
+ if container_workspaces:
+ rebin_set_property("WorkspaceToRebin", container_workspaces[idx])
+ rebin_set_property("WorkspaceToMatch", sample_ws_name)
+ rebin_exec()
- if container_ws_names:
- container = container_ws_names[idx]
- RebinToWorkspace(WorkspaceToRebin=container,
- WorkspaceToMatch=sample,
- OutputWorkspace=container)
+ minus_set_property("LHSWorkspace", sample_ws_name)
+ minus_set_property("RHSWorkspace", rebin_get_property("OutputWorkspace").value)
+ minus_exec()
+ sample_ws = minus_get_property("OutputWorkspace").value
+ else:
+ sample_ws = mtd[sample_ws_name]
- Minus(LHSWorkspace=sample,
- RHSWorkspace=container,
- OutputWorkspace=sample)
+ if self._man_d_range is not None and idx < len(self._man_d_range):
+ self._sam_ws_map.add_ws(sample_ws,
+ self._man_d_range[idx])
+ else:
+ self._sam_ws_map.add_ws(sample_ws)
- self._sam_ws_map.addWs(sample)
+ # Initialize delete workspace algorithm and retrieve function pointers
+ # to improve performance
+ _, delete_set_property, delete_exec \
+ = self._init_child_algorithm("DeleteWorkspace")
- # Add the vanadium workspaces to the dRange to vanadium map
- self._van_ws_map = DRangeToWorkspaceMap()
- for van in vanadium_ws_names:
- self._van_ws_map.addWs(van)
+ # Finished with container workspaces, so delete them
+ for container_ws_name in container_ws_names:
+ delete_set_property("Workspace", container_ws_name)
+ delete_exec()
- # Finished with container now so delete it
- for container in container_ws_names:
- DeleteWorkspace(container)
- DeleteWorkspace(container + "_mon")
+ # Add the vanadium workspaces to the vanadium drange map
+ self._add_to_drange_map(vanadium_ws_names, self._van_ws_map)
# Check to make sure that there are corresponding vanadium files with the same DRange for each sample file.
- for d_range in self._sam_ws_map.getMap():
- if d_range not in self._van_ws_map.getMap():
+ for d_range in self._sam_ws_map:
+ if d_range not in self._van_ws_map:
raise RuntimeError("There is no van file that covers the " + str(d_range) + " DRange.")
# Average together any sample workspaces with the same DRange.
# This will mean our map of DRanges to list of workspaces becomes a map
# of DRanges, each to a *single* workspace.
- temp_sam_map = DRangeToWorkspaceMap()
- for d_range, ws_list in self._sam_ws_map.getMap().items():
- temp_sam_map.setItem(d_range, average_ws_list(ws_list))
- self._sam_ws_map = temp_sam_map
-
- # Now do the same to the vanadium workspaces.
- temp_van_map = DRangeToWorkspaceMap()
- for d_range, ws_list in self._van_ws_map.getMap().items():
- temp_van_map.setItem(d_range, average_ws_list(ws_list))
- self._van_ws_map = temp_van_map
-
- # Run necessary algorithms on BOTH the Vanadium and Sample workspaces.
- for d_range, wrksp in list(self._sam_ws_map.getMap().items()) + list(self._van_ws_map.getMap().items()):
- self.log().information('Wrksp:' + str(wrksp) + ' Cal:' + str(self._cal))
- NormaliseByCurrent(InputWorkspace=wrksp,
- OutputWorkspace=wrksp)
- AlignDetectors(InputWorkspace=wrksp,
- OutputWorkspace=wrksp,
- CalibrationFile=self._cal)
- DiffractionFocussing(InputWorkspace=wrksp,
- OutputWorkspace=wrksp,
- GroupingFileName=self._cal)
- CropWorkspace(InputWorkspace=wrksp,
- OutputWorkspace=wrksp,
- XMin=d_range[0],
- XMax=d_range[1])
+ self._sam_ws_map.average_across_dranges()
+
+ # Now do the same to the vanadium workspaces
+ self._van_ws_map.average_across_dranges()
+
+ # Create NormaliseByCurrent algorithm and retrieve function pointers to improve performance
+ normalise_get_property, normalise_set_property, normalise_exec \
+ = self._init_child_algorithm("NormaliseByCurrent")
+
+ # Create AlignDetectors algorithm and retrieve function pointers to improve performance
+ align_get_property, align_set_property, align_exec \
+ = self._init_child_algorithm("AlignDetectors")
+
+ # Create DiffractionFocussing algorithm and retrieve function pointers to improve performance
+ diff_focus_get_property, diff_focus_set_property, diff_focus_exec \
+ = self._init_child_algorithm("DiffractionFocussing")
+
+ # Create CropWorkspace algorithm and retrieve function pointers to improve performance
+ crop_get_property, crop_set_property, crop_exec \
+ = self._init_child_algorithm("CropWorkspace")
+
+ # Run necessary algorithms on the Sample workspaces.
+ for d_range, wrksp in self._sam_ws_map.items():
+ normalise_set_property("InputWorkspace", wrksp)
+ normalise_exec()
+
+ align_set_property("InputWorkspace", normalise_get_property("OutputWorkspace").value)
+ align_set_property("CalibrationFile", self._cal)
+ align_exec()
+
+ diff_focus_set_property("InputWorkspace", align_get_property("OutputWorkspace").value)
+ diff_focus_set_property("GroupingFileName", self._cal)
+ diff_focus_exec()
+
+ crop_set_property("InputWorkspace", diff_focus_get_property("OutputWorkspace").value)
+ crop_set_property("XMin", d_range[0])
+ crop_set_property("XMax", d_range[1])
+ crop_exec()
+
+ self._sam_ws_map[d_range] = crop_get_property("OutputWorkspace").value
+
+ # Run necessary algorithms on the Vanadium workspaces.
+ for d_range, wrksp in self._van_ws_map.items():
+ normalise_set_property("InputWorkspace", wrksp)
+ normalise_exec()
+
+ align_set_property("InputWorkspace", normalise_get_property("OutputWorkspace").value)
+ align_set_property("CalibrationFile", self._cal)
+ align_exec()
+
+ diff_focus_set_property("InputWorkspace", align_get_property("OutputWorkspace").value)
+ diff_focus_set_property("GroupingFileName", self._cal)
+ diff_focus_exec()
+
+ crop_set_property("InputWorkspace", diff_focus_get_property("OutputWorkspace").value)
+ crop_set_property("XMin", d_range[0])
+ crop_set_property("XMax", d_range[1])
+ crop_exec()
+
+ self._van_ws_map[d_range] = crop_get_property("OutputWorkspace").value
+
+ # Workspaces in vanadium map are no longer in the ADS - can safely delete
+ # vanadium workspaces in ADS.
+ self._delete_workspaces(vanadium_ws_names, delete_set_property, delete_exec)
# Divide all sample files by the corresponding vanadium files.
- for sam_ws, van_ws in zip(self._sam_ws_map.getMap().values(),
- self._van_ws_map.getMap().values()):
- sam_ws, van_ws = self._rebin_to_smallest(sam_ws, van_ws)
- Divide(LHSWorkspace=sam_ws,
- RHSWorkspace=van_ws,
- OutputWorkspace=sam_ws)
- ReplaceSpecialValues(InputWorkspace=sam_ws,
- OutputWorkspace=sam_ws,
- NaNValue=0.0,
- InfinityValue=0.0)
-
- # Create a list of sample workspace NAMES, since we need this for MergeRuns.
- samWsNamesList = list(self._sam_ws_map.getMap().values())
-
- if len(samWsNamesList) > 1:
+ divided = self._divide_all_by(self._sam_ws_map.values(), self._van_ws_map.values())
+
+ # Workspaces must be added to the ADS, as there does not yet exist
+ # a workspace list property (must be passed to merge runs by name).
+ for sample_ws_name, sample_ws in zip(sample_ws_names,
+ divided):
+ mtd.addOrReplace(sample_ws_name, sample_ws)
+
+ if len(divided) > 1:
+
# Merge the sample files into one.
- MergeRuns(InputWorkspaces=samWsNamesList,
- OutputWorkspace=self._output_ws_name)
- for name in samWsNamesList:
- DeleteWorkspace(Workspace=name)
- DeleteWorkspace(Workspace=name + "_mon")
+ merge_runs_alg = self.createChildAlgorithm("MergeRuns", enableLogging=False)
+ merge_runs_alg.setProperty("InputWorkspaces", sample_ws_names)
+ merge_runs_alg.execute()
+ output_ws = merge_runs_alg.getProperty("OutputWorkspace").value
else:
- RenameWorkspace(InputWorkspace=samWsNamesList[0],
- OutputWorkspace=self._output_ws_name)
+ output_ws = divided[0]
+
+ # Sample workspaces are now finished with and can be deleted
+ # safely from the ADS.
+ self._delete_workspaces(sample_ws_names, delete_set_property, delete_exec)
+
+ mtd.addOrReplace(self._output_ws_name, output_ws)
+
+ add_log_alg = self.createChildAlgorithm("AddSampleLog", enableLogging=False)
+ add_log_alg.setProperty("Workspace", output_ws)
+ add_log_alg.setProperty("LogName", "D-Ranges")
+ add_log_alg.setProperty("LogText", "D-Ranges used for reduction: " + self.getPropertyValue("Drange"))
result = mtd[self._output_ws_name]
# Create scalar data to cope with where merge has combined overlapping data.
- intersections = get_intersection_of_ranges(list(self._sam_ws_map.getMap().keys()))
+ intersections = get_intersection_of_ranges(self._sam_ws_map.keys())
+
+ data_x = result.dataX(0)
+ data_y = []
+ data_e = []
+ for i in range(0, len(data_x) - 1):
+ x_val = (data_x[i] + data_x[i + 1]) / 2.0
- dataX = result.dataX(0)
- dataY = []
- dataE = []
- for i in range(0, len(dataX) - 1):
- x_val = (dataX[i] + dataX[i + 1]) / 2.0
if is_in_ranges(intersections, x_val):
- dataY.append(2)
- dataE.append(2)
+ data_y.append(2)
+ data_e.append(2)
else:
- dataY.append(1)
- dataE.append(1)
+ data_y.append(1)
+ data_e.append(1)
# apply scalar data to result workspace
for i in range(0, result.getNumberHistograms()):
- resultY = result.dataY(i)
- resultE = result.dataE(i)
-
- resultY = resultY / dataY
- resultE = resultE / dataE
+ result_y = result.dataY(i)
+ result_e = result.dataE(i)
- result.setY(i, resultY)
- result.setE(i, resultE)
+ result_y = result_y / data_y
+ result_e = result_e / data_e
- # Delete all workspaces we've created, except the result.
- for wrksp in self._van_ws_map.getMap().values():
- DeleteWorkspace(Workspace=wrksp)
- DeleteWorkspace(Workspace=wrksp + "_mon")
+ result.setY(i, result_y)
+ result.setE(i, result_e)
self.setProperty("OutputWorkspace", result)
+ def _delete_workspaces(self, workspace_names, delete_set_property, delete_exec):
+ """
+ Deletes the workspaces with the specified names, using the specified
+ delete_set_property and delete_exec methods of a deleting algorithm.
+
+ :param workspace_names: The names of the workspaces to delete.
+ :param delete_set_property: The setProperty method of the delete algorithm.
+ :param delete_exec: The execute method of the delete algorithm.
+ """
+ for workspace_name in workspace_names:
+
+ if mtd.doesExist(workspace_name):
+ delete_set_property("Workspace", workspace_name)
+ delete_exec()
+
+ def _add_to_drange_map(self, workspace_names, drange_map):
+ """
+ Adds the specified workspaces to the specified drange map.
+ Attempts to add using the manually entered dranges where
+ possible - if not, automatically finds the drange.
+
+ :param workspaces: The names of the workspaces to add to the drange map.
+ :param drange_map: The drange map to add the workspaces to.
+ :param do_log_found: If True print the found workspaces to log.
+ Else don't print to log.
+ """
+ if self._man_d_range is not None:
+ drange_len = len(self._man_d_range)
+ else:
+ drange_len = None
+
+ for idx, ws_name in enumerate(workspace_names):
+ if drange_len is not None and idx < drange_len:
+ drange_map.add_ws(mtd[ws_name], self._man_d_range[idx])
+ else:
+ drange_map.add_ws(mtd[ws_name])
+
+ def _parse_string_array(self, string):
+ """
+ Parse a specified string into an array based on the following specification:
+
+ a : Add a to the array where a is an integer.
+ a-b : Add the range 'a to b' to the array where a and b are integers.
+ a,b : Add elements of a and b to the array where a and b are integers or ranges.
+
+ Ignores whitespace.
+
+ :param string: The string to parse to an array.
+ :return: The array parsed from the string using the specification.
+ """
+ str_ranges = string.replace(" ", "").split(",")
+ str_ranges = [x.split("-") for x in str_ranges]
+
+ # Convert string ranges to integer ranges.
+ try:
+ int_ranges = [[int(x) for x in str_range] for str_range in str_ranges]
+ except BaseException:
+ raise ValueError('Provided list, "' + string + '", was incorrectly formatted\n'
+ '')
+
+ # Expand integer ranges formed from a string 'a-b', to a range from a to b
+ # Single provided integers remain the same
+ int_ranges = map(list_to_range, int_ranges)
+
+ # Return flattened list of range values
+ return [range_value for int_range in int_ranges for range_value in int_range]
+
def _find_runs(self, runs):
"""
Use the FileFinder to find search for the runs given by the string of
@@ -481,33 +718,54 @@ class OSIRISDiffractionReduction(PythonAlgorithm):
return run_files
- def _rebin_to_smallest(self, samWS, vanWS):
+ def _init_child_algorithm(self, algorithm_name, enable_logging=False):
"""
- At some point a change to the control program meant that the raw data
- got an extra bin. This prevents runs past this point being normalised
- with a vanadium from an earlier point. Here we simply rebin to the
- smallest workspace if the sizes don't match
-
- @param samWS A workspace object containing the sample run
- @param vanWS A workspace object containing the vanadium run
- @returns samWS, vanWS rebinned to the smallest if necessary
+ Initializes the algorithm with the specified name as a child algorithm.
+ The getProperty, setProperty and execute methods for this child algorithm
+ are returned.
+
+ :param algorithm_name: The name of the algorithm to initialize.
+ :param enable_logging: If True, enables algorithm logging.
+ :return: getProperty, setProperty, execute methods of
+ the created child algorithm.
"""
- sample_size, van_size = mtd[samWS].blocksize(), mtd[vanWS].blocksize()
- if sample_size == van_size:
- return samWS, vanWS
-
- if sample_size < van_size:
- # Rebin vanadium to match sample
- RebinToWorkspace(WorkspaceToRebin=vanWS,
- WorkspaceToMatch=samWS,
- OutputWorkspace=vanWS)
- else:
- # Rebin sample to match vanadium
- RebinToWorkspace(WorkspaceToRebin=samWS,
- WorkspaceToMatch=vanWS,
- OutputWorkspace=samWS)
+ algorithm = self.createChildAlgorithm(algorithm_name, enable_logging)
+ return algorithm.getProperty, algorithm.setProperty, algorithm.execute
+
+ def _divide_all_by(self, dividend_workspaces, divisor_workspaces):
+ """
+ Divides the workspaces with the specified divided workspace names by
+ the workspaces with the specified divisor workspace names.
+
+ :param dividend_workspaces: The workspaces to be divided.
+ :param divisor_workspaces: The workspaces to divide by.
+ :return: A list of the resultant divided workspaces.
+ """
+
+ divide_get_property, divide_set_property, divide_exec \
+ = self._init_child_algorithm("Divide")
+
+ replace_special_get_property, replace_special_set_property, replace_special_exec \
+ = self._init_child_algorithm("ReplaceSpecialValues")
+
+ divided = []
+
+ # Divide all dividend workspaces by the corresponding divisor workspaces.
+ for dividend_ws, divisor_ws in zip(dividend_workspaces, divisor_workspaces):
+ ws_list = rebin_to_smallest(dividend_ws, divisor_ws)
+ dividend_ws, divisor_ws = ws_list[0], ws_list[1]
+
+ divide_set_property("LHSWorkspace", dividend_ws)
+ divide_set_property("RHSWorkspace", divisor_ws)
+ divide_exec()
+
+ replace_special_set_property("InputWorkspace", divide_get_property("OutputWorkspace").value)
+ replace_special_set_property("NaNValue", 0.0)
+ replace_special_set_property("InfinityValue", 0.0)
+ replace_special_exec()
+ divided.append(replace_special_get_property("OutputWorkspace").value)
- return samWS, vanWS
+ return divided
AlgorithmFactory.subscribe(OSIRISDiffractionReduction)
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SingleCrystalDiffuseReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SingleCrystalDiffuseReduction.py
index d93a5f9a3856268fc796ac0735c554f03f8fe039..c40af07035c96746cbd7daa3a64dbaf6b2ba27b5 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SingleCrystalDiffuseReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/SingleCrystalDiffuseReduction.py
@@ -12,7 +12,7 @@ from mantid.simpleapi import (LoadIsawUB, MaskDetectors, ConvertUnits,
CreateSingleValuedWorkspace, LoadNexus,
MultiplyMD, LoadIsawDetCal, LoadMask)
from mantid.geometry import SpaceGroupFactory, SymmetryOperationFactory
-from mantid.kernel import VisibleWhenProperty, PropertyCriterion, FloatArrayLengthValidator, FloatArrayProperty, Direction
+from mantid.kernel import VisibleWhenProperty, PropertyCriterion, FloatArrayLengthValidator, FloatArrayProperty, Direction, Property
from mantid import logger
import numpy as np
@@ -55,6 +55,10 @@ class SingleCrystalDiffuseReduction(DataProcessorAlgorithm):
self.declareProperty(FileProperty(name="Flux",defaultValue="",action=FileAction.Load,
extensions=[".nxs"]),
"An input workspace containing momentum dependent flux. See :ref:`MDnormSCD <algm-MDnormSCD>` for details")
+ self.declareProperty('MomentumMin', Property.EMPTY_DBL,
+ doc="Minimum value in momentum. The max of this value and the flux momentum minimum will be used.")
+ self.declareProperty('MomentumMax', Property.EMPTY_DBL,
+ doc="Maximum value in momentum. The min of this value and the flux momentum maximum will be used.")
# UBMatrix
self.declareProperty(FileProperty(name="UBMatrix",defaultValue="",action=FileAction.Load,
@@ -114,6 +118,8 @@ class SingleCrystalDiffuseReduction(DataProcessorAlgorithm):
# Vanadium
self.setPropertyGroup("SolidAngle","Vanadium")
self.setPropertyGroup("Flux","Vanadium")
+ self.setPropertyGroup("MomentumMin","Vanadium")
+ self.setPropertyGroup("MomentumMax","Vanadium")
# Goniometer
self.setPropertyGroup("SetGoniometer","Goniometer")
@@ -185,6 +191,19 @@ class SingleCrystalDiffuseReduction(DataProcessorAlgorithm):
XMin = mtd['__sa'].getXDimension().getMinimum()
XMax = mtd['__sa'].getXDimension().getMaximum()
+ newXMin = self.getProperty("MomentumMin").value
+ newXMax = self.getProperty("MomentumMax").value
+ if newXMin != Property.EMPTY_DBL or newXMax != Property.EMPTY_DBL:
+ if newXMin != Property.EMPTY_DBL:
+ XMin = max(XMin, newXMin)
+ if newXMax != Property.EMPTY_DBL:
+ XMax = min(XMax, newXMax)
+ logger.notice("Using momentum range {} to {} A^-1".format(XMin, XMax))
+ CropWorkspace(InputWorkspace='__flux',OutputWorkspace='__flux',XMin=XMin,XMax=XMax)
+ for spectrumNumber in range(mtd['__flux'].getNumberHistograms()):
+ Y = mtd['__flux'].readY(spectrumNumber)
+ mtd['__flux'].setY(spectrumNumber,(Y-Y.min())/(Y.max()-Y.min()))
+
if _background:
Load(Filename=self.getProperty("Background").value,
OutputWorkspace='__bkg',
diff --git a/Framework/PythonInterface/test/python/mantid/kernel/CompositeValidatorTest.py b/Framework/PythonInterface/test/python/mantid/kernel/CompositeValidatorTest.py
index 81b7a3865ea48e45ef6b3509bf258e93094a898e..abcbc0adc548fbb1a54028c2e54264ea38fb15f6 100644
--- a/Framework/PythonInterface/test/python/mantid/kernel/CompositeValidatorTest.py
+++ b/Framework/PythonInterface/test/python/mantid/kernel/CompositeValidatorTest.py
@@ -1,7 +1,7 @@
from __future__ import (absolute_import, division, print_function)
import unittest
-from mantid.kernel import CompositeValidator, FloatBoundedValidator
+from mantid.kernel import CompositeValidator, CompositeRelation, FloatBoundedValidator
from mantid.api import PythonAlgorithm
class CompositeValidatorTest(unittest.TestCase):
@@ -23,6 +23,27 @@ class CompositeValidatorTest(unittest.TestCase):
validation = CompositeValidator([FloatBoundedValidator(lower=5), FloatBoundedValidator(upper=10)])
self._do_validation_test(validation)
+ def test_composite_validator_with_or_relation(self):
+ validation = CompositeValidator([FloatBoundedValidator(lower=5, upper=10),
+ FloatBoundedValidator(lower=15, upper=20)],
+ relation=CompositeRelation.OR)
+
+ test_alg = self._create_test_algorithm(validation)
+
+ prop = test_alg.getProperty("Input")
+ self.assertNotEquals(prop.isValid, "")
+
+ test_alg.setProperty("Input", 6.8)
+ self.assertEquals(prop.isValid, "")
+
+ test_alg.setProperty("Input", 17.3)
+ self.assertEquals(prop.isValid, "")
+
+ self.assertRaises(ValueError, test_alg.setProperty, "Input", 3.0)
+ self.assertRaises(ValueError, test_alg.setProperty, "Input", 13.0)
+ self.assertRaises(ValueError, test_alg.setProperty, "Input", 23.0)
+
+
def _do_validation_test(self, validation):
"""Run the validator tests"""
test_alg = self._create_test_algorithm(validation)
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/AbinsAdvancedParametersTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/AbinsAdvancedParametersTest.py
index 134f5e133690309eeee2da63e80918457a5d72a5..34f994fa9a98b60d65ca4ea190379fd80f7123ab 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/AbinsAdvancedParametersTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/AbinsAdvancedParametersTest.py
@@ -14,30 +14,6 @@ except ImportError:
PATHOS_FOUND = False
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsBasicTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
- return decorate
-
-
-@skip_if(old_modules)
class AbinsAdvancedParametersTest(unittest.TestCase):
def setUp(self):
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/AbinsBasicTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/AbinsBasicTest.py
index 0c57a2c8d6639c66f444577451f1b0bec750b9c4..76263f6c84848fdf97272df54f924251f32d783b 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/AbinsBasicTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/AbinsBasicTest.py
@@ -7,30 +7,6 @@ from AbinsModules import AbinsConstants, AbinsTestHelpers
import numpy as np
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsBasicTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
- return decorate
-
-
-@skip_if(old_modules)
class AbinsBasicTest(unittest.TestCase):
_si2 = "Si2-sc_Abins"
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
index d775bcef76a39eaa6ac5bc636dcbd8f1b0d45cf6..99e0747dda996a610c3db8d7841f80bef0700118 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/CMakeLists.txt
@@ -8,6 +8,12 @@ set ( TEST_PY_FILES
BayesQuasiTest.py
BayesStretchTest.py
DetectorFloodWeightingTest.py
+ DirectILLApplySelfShieldingTest.py
+ DirectILLCollectDataTest.py
+ DirectILLDiagnosticsTest.py
+ DirectILLIntegrateVanadiumTest.py
+ DirectILLReductionTest.py
+ DirectILLSelfShieldingTest.py
EnergyWindowScanTest.py
FlatPlatePaalmanPingsCorrectionTest.py
IndirectAnnulusAbsorptionTest.py
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShieldingTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShieldingTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..8c029f33935473a4b2503e468bfaea58dace09c9
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLApplySelfShieldingTest.py
@@ -0,0 +1,78 @@
+# -*- coding: utf-8 -*-
+from __future__ import (absolute_import, division, print_function)
+
+from mantid.api import (mtd)
+from mantid.simpleapi import (CloneWorkspace)
+import numpy.testing
+from testhelpers import illhelpers, run_algorithm
+import unittest
+
+
+class DirectILLApplySelfShieldingTest(unittest.TestCase):
+ _BKG_LEVEL = 0.0
+ _TEST_WS_NAME = 'testWS_'
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+ self._testIN5WS = illhelpers.create_poor_mans_in5_workspace(self._BKG_LEVEL, illhelpers.default_test_detectors)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testEmptyContainerSubtraction(self):
+ ws = self._cloneTestWorkspace()
+ ecWSName = 'testECWS_'
+ ecWS = self._cloneTestWorkspace(ecWSName)
+ ecFactor = 0.13
+ ecWS *= ecFactor
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EmptyContainerWorkspace': ecWSName,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLApplySelfShielding', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), ws.getNumberHistograms())
+ ys = outWS.extractY()
+ originalYs = ws.extractY()
+ numpy.testing.assert_almost_equal(ys, (1.0 - ecFactor) *originalYs)
+
+ def testEmptyContainerSubtractionWithScaling(self):
+ ws = self._cloneTestWorkspace()
+ ecWSName = 'testECWS_'
+ ecWS = self._cloneTestWorkspace(ecWSName)
+ ecFactor = 0.13
+ ecWS *= ecFactor
+ outWSName = 'outWS'
+ ecScaling = 0.876
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EmptyContainerWorkspace': ecWSName,
+ 'EmptyContainerScaling': ecScaling,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLApplySelfShielding', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), ws.getNumberHistograms())
+ ys = outWS.extractY()
+ originalYs = ws.extractY()
+ numpy.testing.assert_almost_equal(ys, (1.0 - ecScaling * ecFactor) *originalYs)
+
+ def _cloneTestWorkspace(self, wsName=None):
+ if not wsName:
+ # Cannot use as default parameter as 'self' is not know in argument list.
+ wsName = self._TEST_WS_NAME
+ tempName = 'temp_testWS_'
+ mtd.addOrReplace(tempName, self._testIN5WS)
+ ws = CloneWorkspace(InputWorkspace=tempName,
+ OutputWorkspace=wsName)
+ mtd.remove(tempName)
+ return ws
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectDataTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectDataTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..8d9dbc66932e8b5ce918800c37cad53d185e9217
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLCollectDataTest.py
@@ -0,0 +1,147 @@
+from __future__ import (absolute_import, division, print_function)
+
+from mantid.api import mtd
+import numpy.testing
+from testhelpers import illhelpers, run_algorithm
+import unittest
+
+
+class DirectILLCollectDataTest(unittest.TestCase):
+ _BKG_LEVEL = 2.3
+ _TEST_WS_NAME = 'testWS_'
+ _TEST_WS = None
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+
+ def setUp(self):
+ if not DirectILLCollectDataTest._TEST_WS:
+ DirectILLCollectDataTest._TEST_WS = illhelpers.create_poor_mans_in5_workspace(self._BKG_LEVEL,
+ illhelpers.default_test_detectors)
+ mtd.addOrReplace(self._TEST_WS_NAME, DirectILLCollectDataTest._TEST_WS)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testBackgroundSubtraction(self):
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'FlatBkg': 'Flat Bkg ON',
+ 'FlatBkgScaling': 1.0,
+ 'IncidentEnergyCalibration': 'Energy Calibration OFF',
+ 'Normalisation': 'Normalisation OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLCollectData', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ inWS = mtd[self._TEST_WS_NAME]
+ self.assertEquals(outWS.getNumberHistograms(), inWS.getNumberHistograms() - 1)
+ ys = outWS.extractY()
+ originalYs = inWS.extractY()
+ numpy.testing.assert_almost_equal(ys, originalYs[1:, :] - self._BKG_LEVEL)
+
+ def testBackgroundOutput(self):
+ outWSName = 'outWS'
+ outBkgWSName = 'outBkg'
+ bkgScaling = 0.33 # Output should not be scaled, actually.
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'FlatBkg': 'Flat Bkg ON',
+ 'FlatBkgScaling': bkgScaling,
+ 'IncidentEnergyCalibration': 'Energy Calibration OFF',
+ 'Normalisation': 'Normalisation OFF',
+ 'OutputFlatBkgWorkspace': outBkgWSName,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLCollectData', **algProperties)
+ self.assertTrue(mtd.doesExist(outBkgWSName))
+ outBkgWS = mtd[outBkgWSName]
+ numpy.testing.assert_almost_equal(outBkgWS.extractY(), self._BKG_LEVEL)
+
+ def testNormalisationToTime(self):
+ outWSName = 'outWS'
+ duration = 3612.3
+ mtd[self._TEST_WS_NAME].mutableRun().addProperty('duration', duration, True)
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'FlatBkg': 'Flat Bkg OFF',
+ 'IncidentEnergyCalibration': 'Energy Calibration OFF',
+ 'Normalisation': 'Normalisation Time',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLCollectData', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ inWS = mtd[self._TEST_WS_NAME]
+ ys = outWS.extractY()
+ originalYs = inWS.extractY()
+ numpy.testing.assert_almost_equal(ys, originalYs[1:, :] / duration)
+ es = outWS.extractE()
+ originalEs = inWS.extractE()
+ numpy.testing.assert_almost_equal(es, originalEs[1:, :] / duration)
+
+ def testRawWorkspaceOutput(self):
+ outWSName = 'outWS'
+ rawWSName = 'rawWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'OutputRawWorkspace': rawWSName,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLCollectData', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ inWS = mtd[self._TEST_WS_NAME]
+ self.assertTrue(mtd.doesExist(rawWSName))
+ rawWS = mtd[rawWSName]
+ ys = rawWS.extractY()
+ originalYS = inWS.extractY()
+ numpy.testing.assert_almost_equal(ys, originalYS[1:, :])
+ es = rawWS.extractE()
+ originalES = inWS.extractE()
+ numpy.testing.assert_almost_equal(es, originalES[1:, :])
+ xs = rawWS.extractX()
+ outXS = outWS.extractX()
+ numpy.testing.assert_almost_equal(xs, outXS)
+ Ei = rawWS.getRun().getProperty('Ei').value
+ outEi = outWS.getRun().getProperty('Ei').value
+ self.assertEqual(Ei, outEi)
+ wavelength = outWS.getRun().getProperty('wavelength').value
+ outWavelength = outWS.getRun().getProperty('wavelength').value
+ self.assertEqual(wavelength, outWavelength)
+
+ def testSuccessWhenEverythingDisabled(self):
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'FlatBkg': 'Flat Bkg OFF',
+ 'IncidentEnergyCalibration': 'Energy Calibration OFF',
+ 'Normalisation': 'Normalisation OFF',
+ 'ElasticChannel': 'Default Elastic Channel',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLCollectData', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ inWS = mtd[self._TEST_WS_NAME]
+ self.assertEquals(outWS.getNumberHistograms(), inWS.getNumberHistograms() - 1)
+ xs = outWS.extractX()
+ originalXs = inWS.extractX()
+ numpy.testing.assert_almost_equal(xs, originalXs[1:, :])
+ ys = outWS.extractY()
+ originalYs = inWS.extractY()
+ numpy.testing.assert_almost_equal(ys, originalYs[1:, :])
+ es = outWS.extractE()
+ originalEs = inWS.extractE()
+ numpy.testing.assert_almost_equal(es, originalEs[1:, :])
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnosticsTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnosticsTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..f96d3820519481349700b23bfebfbf3133cc77ad
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLDiagnosticsTest.py
@@ -0,0 +1,225 @@
+from __future__ import (absolute_import, division, print_function)
+
+from mantid.api import mtd
+from testhelpers import illhelpers, run_algorithm
+import unittest
+
+
+class DirectILLDiagnosticsTest(unittest.TestCase):
+ _BKG_LEVEL = 1.42
+ _EPP_WS_NAME = 'eppWS_'
+ _RAW_WS_NAME = 'rawWS_'
+ _TEST_WS = None
+ _TEST_WS_NAME = 'testWS_'
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+
+ def setUp(self):
+ if DirectILLDiagnosticsTest._TEST_WS is None:
+ DirectILLDiagnosticsTest._TEST_WS = illhelpers.create_poor_mans_in5_workspace(self._BKG_LEVEL,
+ illhelpers.default_test_detectors)
+ inWSName = 'inputWS'
+ mtd.addOrReplace(inWSName, DirectILLDiagnosticsTest._TEST_WS)
+ kwargs = {
+ 'InputWorkspace': DirectILLDiagnosticsTest._TEST_WS,
+ 'OutputWorkspace': self._TEST_WS_NAME,
+ 'EPPCreationMethod': 'Fit EPP',
+ 'FlatBkg': 'Flat Bkg ON',
+ 'OutputEPPWorkspace': self._EPP_WS_NAME,
+ 'OutputRawWorkspace': self._RAW_WS_NAME
+ }
+ run_algorithm('DirectILLCollectData', **kwargs)
+ mtd.remove(inWSName)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testAllDetectorsPass(self):
+ outWSName = 'diagnosticsWS'
+ kwargs = {
+ 'InputWorkspace': self._RAW_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EPPWorkspace': self._EPP_WS_NAME,
+ 'BeamStopDiagnostics': 'Beam Stop Diagnostics OFF',
+ 'DefaultMask': 'Default Mask OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLDiagnostics', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ inWS = mtd[self._RAW_WS_NAME]
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), inWS.getNumberHistograms())
+ self.assertEquals(outWS.blocksize(), 1)
+ spectrumInfo = outWS.spectrumInfo()
+ for i in range(outWS.getNumberHistograms()):
+ self.assertEquals(outWS.readY(i)[0], 0)
+ self.assertFalse(spectrumInfo.isMasked(i))
+
+ def testBackgroundDiagnostics(self):
+ rawWS = mtd[self._RAW_WS_NAME]
+ spectraCount = rawWS.getNumberHistograms()
+ highBkgIndices = [0, int(spectraCount / 3), spectraCount - 1]
+ for i in highBkgIndices:
+ ys = rawWS.dataY(i)
+ ys += 10.0 * self._BKG_LEVEL
+ lowBkgIndices = [int(spectraCount / 4), int(2 * spectraCount / 3)]
+ for i in lowBkgIndices:
+ ys = rawWS.dataY(i)
+ ys -= self._BKG_LEVEL
+ outWSName = 'diagnosticsWS'
+ kwargs = {
+ 'InputWorkspace': self._RAW_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'ElasticPeakDiagnostics': 'Peak Diagnostics OFF',
+ 'EPPWorkspace': self._EPP_WS_NAME,
+ 'BkgDiagnostics': 'Bkg Diagnostics ON',
+ 'NoisyBkgLowThreshold': 0.01,
+ 'NoisyBkgHighThreshold': 9.99,
+ 'BeamStopDiagnostics': 'Beam Stop Diagnostics OFF',
+ 'DefaultMask': 'Default Mask OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLDiagnostics', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), spectraCount)
+ self.assertEquals(outWS.blocksize(), 1)
+ spectrumInfo = outWS.spectrumInfo()
+ for i in range(spectraCount):
+ self.assertFalse(spectrumInfo.isMasked(i))
+ ys = outWS.readY(i)
+ if i in highBkgIndices + lowBkgIndices:
+ self.assertEquals(ys[0], 1)
+ else:
+ self.assertEquals(ys[0], 0)
+
+ def testDirectBeamMasking(self):
+ beamWSName = 'beam_masking_ws'
+ kwargs = {
+ 'OutputWorkspace': beamWSName,
+ 'Function': 'One Peak',
+ 'rethrow': True
+ }
+ run_algorithm('CreateSampleWorkspace', **kwargs)
+ kwargs = {
+ 'Workspace': beamWSName,
+ 'ParameterName': 'beam_stop_diagnostics_spectra',
+ 'ParameterType': 'String',
+ 'Value': '43-57, 90-110, 145-155', # Spectrum numbers.
+ 'rethrow': True
+ }
+ run_algorithm('SetInstrumentParameter', **kwargs)
+ beamWS = mtd[beamWSName]
+ # From now on, we work on workspace indices.
+ # First range is fully covered by the beam stop.
+ for i in range(42, 57):
+ ys = beamWS.dataY(i)
+ ys *= 0.0
+ # Second range is partially covered by the beam stop.
+ # Actually, only this range will be recongnized as beam stop's shadow.
+ for i in range(92, 105):
+ ys = beamWS.dataY(i)
+ ys *= 0.0
+ # The third range is not covered by the beam stop at all.
+ outWSName = 'diagnosticsWS'
+ kwargs = {
+ 'InputWorkspace': beamWSName,
+ 'OutputWorkspace': outWSName,
+ 'ElasticPeakDiagnostics': 'Peak Diagnostics OFF',
+ 'BkgDiagnostics': 'Bkg Diagnostics OFF',
+ 'DefaultMask': 'Default Mask OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLDiagnostics', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), beamWS.getNumberHistograms())
+ self.assertEquals(outWS.blocksize(), 1)
+ for i in range(outWS.getNumberHistograms()):
+ ys = outWS.readY(i)
+ if i >= 92 and i < 105:
+ self.assertEquals(ys[0], 1)
+ else:
+ self.assertEquals(ys[0], 0)
+
+ def testElasticPeakDiagnostics(self):
+ inWS = mtd[self._RAW_WS_NAME]
+ spectraCount = inWS.getNumberHistograms()
+ highPeakIndices = [0, int(spectraCount / 3), spectraCount - 1]
+ for i in highPeakIndices:
+ ys = inWS.dataY(i)
+ ys *= 10.0
+ lowPeakIndices = [int(spectraCount / 4), int(2 * spectraCount / 3)]
+ for i in lowPeakIndices:
+ ys = inWS.dataY(i)
+ ys *= 0.1
+ outWSName = 'diagnosticsWS'
+ kwargs = {
+ 'InputWorkspace': self._RAW_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EPPWorkspace': self._EPP_WS_NAME,
+ 'ElasticPeakDiagnostics': 'Peak Diagnostics ON',
+ 'ElasticPeakLowThreshold': 0.2,
+ 'ElasticPeakHighThreshold': 9.7,
+ 'BkgDiagnostics': 'Bkg Diagnostics OFF',
+ 'BeamStopDiagnostics': 'Beam Stop Diagnostics OFF',
+ 'DefaultMask': 'Default Mask OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLDiagnostics', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), spectraCount)
+ self.assertEquals(outWS.blocksize(), 1)
+ spectrumInfo = outWS.spectrumInfo()
+ for i in range(spectraCount):
+ self.assertFalse(spectrumInfo.isMasked(i))
+ ys = outWS.readY(i)
+ if i in highPeakIndices + lowPeakIndices:
+ self.assertEquals(ys[0], 1)
+ else:
+ self.assertEquals(ys[0], 0)
+
+ def testOutputIsUsable(self):
+ inWS = mtd[self._RAW_WS_NAME]
+ spectraCount = inWS.getNumberHistograms()
+ maskedIndices = [0, int(spectraCount / 3), spectraCount - 1]
+ for i in maskedIndices:
+ ys = inWS.dataY(i)
+ ys *= 10.0
+ outWSName = 'diagnosticsWS'
+ kwargs = {
+ 'InputWorkspace': self._RAW_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EPPWorkspace': self._EPP_WS_NAME,
+ 'ElasticPeakDiagnostics': 'Peak Diagnostics ON',
+ 'ElasticPeakLowThreshold': 0.2,
+ 'ElasticPeakHighThreshold': 9.7,
+ 'BkgDiagnostics': 'Bkg Diagnostics OFF',
+ 'BeamStopDiagnostics': 'Beam Stop Diagnostics OFF',
+ 'DefaultMask': 'Default Mask OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLDiagnostics', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), spectraCount)
+ self.assertEquals(outWS.blocksize(), 1)
+ kwargs = {
+ 'Workspace': self._RAW_WS_NAME,
+ 'MaskedWorkspace': outWSName,
+ 'rethrow': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ maskedWS = mtd[self._RAW_WS_NAME]
+ spectrumInfo = maskedWS.spectrumInfo()
+ for i in range(spectraCount):
+ if i in maskedIndices:
+ self.assertTrue(spectrumInfo.isMasked(i))
+ else:
+ self.assertFalse(spectrumInfo.isMasked(i))
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadiumTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadiumTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..75224719eb2dc124cdabb081289cfb8b2e81e77e
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLIntegrateVanadiumTest.py
@@ -0,0 +1,59 @@
+# -*- coding: utf-8 -*-
+
+from __future__ import (absolute_import, division, print_function)
+
+from mantid import mtd
+from mantid.simpleapi import (CloneWorkspace, FindEPP)
+from testhelpers import illhelpers, run_algorithm
+import unittest
+
+
+class DirectILLIntegrateVanadiumTest(unittest.TestCase):
+ _BKG_LEVEL = 0.0
+ _TEST_WS_NAME = 'testWS_'
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+ self._testIN5WS = illhelpers.create_poor_mans_in5_workspace(self._BKG_LEVEL, illhelpers.default_test_detectors)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testIntegration(self):
+ ws = self._cloneTestWorkspace()
+ eppWSName = 'eppWS'
+ self._EPPTable(ws, eppWSName)
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'EPPWorkspace': eppWSName,
+ 'DebyeWallerCorrection': 'Correction OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLIntegrateVanadium', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), ws.getNumberHistograms())
+ self.assertEquals(outWS.blocksize(), 1)
+
+ def _cloneTestWorkspace(self, wsName=None):
+ if not wsName:
+ # Cannot use as default parameter as 'self' is not know in argument list.
+ wsName = self._TEST_WS_NAME
+ tempName = 'temp_testWS_'
+ mtd.addOrReplace(tempName, self._testIN5WS)
+ ws = CloneWorkspace(InputWorkspace=tempName,
+ OutputWorkspace=wsName)
+ mtd.remove(tempName)
+ return ws
+
+ def _EPPTable(self, ws, eppWSName):
+ eppWS = FindEPP(InputWorkspace=ws,
+ OutputWorkspace=eppWSName,
+ EnableLogging=False)
+ return eppWS
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLReductionTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLReductionTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..98aedfce8148d40eed5cab7e4a0b3f68a3f0a4ab
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLReductionTest.py
@@ -0,0 +1,128 @@
+from __future__ import (absolute_import, division, print_function)
+
+import collections
+from mantid.api import mtd
+from scipy import constants
+from testhelpers import illhelpers, run_algorithm
+import unittest
+
+
+class DirectILLReductionTest(unittest.TestCase):
+ _BKG_LEVEL = 0.0
+ _EPP_WS_NAME = 'eppWS_'
+ _TEST_WS_NAME = 'testWS_'
+ _VANADIUM_WS_NAME = 'vanadiumWS_'
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+ self._testIN5WS = None
+
+ def setUp(self):
+ if not self._testIN5WS:
+ self._testIN5WS = illhelpers.create_poor_mans_in5_workspace(self._BKG_LEVEL,
+ illhelpers.default_test_detectors)
+ inWSName = 'inputWS'
+ mtd.addOrReplace(inWSName, self._testIN5WS)
+ kwargs = {
+ 'InputWorkspace': self._testIN5WS,
+ 'OutputWorkspace': self._TEST_WS_NAME,
+ 'OutputEPPWorkspace': self._EPP_WS_NAME
+ }
+ run_algorithm('DirectILLCollectData', **kwargs)
+ kwargs = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': self._VANADIUM_WS_NAME,
+ 'EPPWorkspace': self._EPP_WS_NAME
+ }
+ run_algorithm('DirectILLIntegrateVanadium', **kwargs)
+ vanadiumWS = mtd[self._VANADIUM_WS_NAME]
+ for i in range(vanadiumWS.getNumberHistograms()):
+ vanadiumYs = vanadiumWS.dataY(i)
+ vanadiumYs.fill(1.0)
+ mtd.remove(inWSName)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testSuccessfulRun(self):
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'SubalgorithmLogging': 'Logging ON',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLReduction', **algProperties)
+ self.assertTrue(mtd.doesExist(outWSName))
+
+ def testDetectorGrouping(self):
+ ws = illhelpers.create_poor_mans_in5_workspace(0.0, _groupingTestDetectors)
+ originalNDetectors = ws.getNumberHistograms()
+ detectorIds = list()
+ for i in range(originalNDetectors):
+ detectorIds.append(ws.getDetector(i).getID())
+ mtd.addOrReplace('inWS', ws)
+ outWSName = 'outWS'
+ algProperties = {
+ 'InputWorkspace': ws,
+ 'OutputWorkspace': outWSName,
+ 'Cleanup': 'Cleanup OFF',
+ 'Transposing': 'Transposing OFF',
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLReduction', **algProperties)
+ groupedWSName = outWSName + '_grouped_detectors_'
+ self.assertTrue(groupedWSName in mtd)
+ groupedWS = mtd[groupedWSName]
+ self.assertEqual(groupedWS.getNumberHistograms(), 1)
+ groupIds = groupedWS.getDetector(0).getDetectorIDs()
+ self.assertEqual(collections.Counter(detectorIds), collections.Counter(groupIds))
+
+ def _checkAlgorithmsInHistory(self, ws, *args):
+ """Return true if algorithm names listed in *args are found in the
+ workspace's history.
+ """
+ # This method is currently unused and kept here for nostalgic reasons.
+ # However, it might be interesting to start using it again in tests.
+ history = ws.getHistory()
+ reductionHistory = history.getAlgorithmHistory(history.size() - 1)
+ algHistories = reductionHistory.getChildHistories()
+ algNames = [alg.name() for alg in algHistories]
+ for algName in args:
+ return algName in algNames
+
+
+def _groupingTestDetectors(ws):
+ """Mask detectors for detector grouping tests."""
+ indexBegin = 63106 # Detector at L2 and at 2theta = 40.6.
+ kwargs = {
+ 'Workspace': ws,
+ 'StartWorkspaceIndex': 0,
+ 'EndWorkspaceIndex': indexBegin - 1,
+ 'child': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ referenceDetector = ws.getDetector(indexBegin)
+ reference2Theta = ws.detectorTwoTheta(referenceDetector)
+ mask = list()
+ for i in range(indexBegin + 1, indexBegin + 10000):
+ det = ws.getDetector(i)
+ twoTheta = ws.detectorTwoTheta(det)
+ if abs(reference2Theta - twoTheta) >= 0.01 / 180 * constants.pi:
+ mask.append(i)
+ kwargs = {
+ 'Workspace': ws,
+ 'DetectorList': mask,
+ 'child': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ kwargs = {
+ 'Workspace': ws,
+ 'StartWorkspaceIndex': indexBegin + 10000,
+ 'child': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ return ws
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShieldingTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShieldingTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..5ba4ae974eb1b7ef4cfea8b38e7f3f2e507a25c6
--- /dev/null
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/DirectILLSelfShieldingTest.py
@@ -0,0 +1,94 @@
+from __future__ import (absolute_import, division, print_function)
+
+from testhelpers import illhelpers, run_algorithm
+from mantid.api import mtd
+import numpy.testing
+import unittest
+
+
+class DirectILLSelfShieldingTest(unittest.TestCase):
+ _TEST_WS = None
+
+ def __init__(self, methodName='runTest'):
+ unittest.TestCase.__init__(self, methodName)
+ self._TEST_WS_NAME = '_testWS_'
+
+ def setUp(self):
+ if DirectILLSelfShieldingTest._TEST_WS is None:
+ bkgLevel = 0.0
+ DirectILLSelfShieldingTest._TEST_WS = illhelpers.create_poor_mans_in5_workspace(bkgLevel,
+ illhelpers.default_test_detectors)
+ tempMonitorWSName = 'monitors'
+ kwargs = {
+ 'InputWorkspace': DirectILLSelfShieldingTest._TEST_WS,
+ 'DetectorWorkspace': self._TEST_WS_NAME,
+ 'MonitorWorkspace': tempMonitorWSName
+ }
+ run_algorithm('ExtractMonitors', **kwargs)
+ kwargs = {
+ 'Workspace': tempMonitorWSName
+ }
+ run_algorithm('DeleteWorkspace', **kwargs)
+
+ def tearDown(self):
+ mtd.clear()
+
+ def testExecSparseInstrument(self):
+ self._setDefaultSample(self._TEST_WS_NAME)
+ outWSName = 'correctionWS'
+ kwargs = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'SimulationInstrument': 'Sparse Instrument',
+ 'SparseInstrumentRows': 3,
+ 'SparseInstrumentColumns': 2,
+ 'NumberOfSimulatedWavelengths': 3,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLSelfShielding', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ inWS = mtd[self._TEST_WS_NAME]
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), inWS.getNumberHistograms())
+ xs = outWS.extractX()
+ originalXs = inWS.extractX()
+ numpy.testing.assert_almost_equal(xs, originalXs[:, :])
+
+ def testOutputHasCommonBinningWithInput(self):
+ self._setDefaultSample(self._TEST_WS_NAME)
+ outWSName = 'correctionWS'
+ kwargs = {
+ 'InputWorkspace': self._TEST_WS_NAME,
+ 'OutputWorkspace': outWSName,
+ 'rethrow': True
+ }
+ run_algorithm('DirectILLSelfShielding', **kwargs)
+ self.assertTrue(mtd.doesExist(outWSName))
+ inWS = mtd[self._TEST_WS_NAME]
+ outWS = mtd[outWSName]
+ self.assertEquals(outWS.getNumberHistograms(), inWS.getNumberHistograms())
+ xs = outWS.extractX()
+ originalXs = inWS.extractX()
+ numpy.testing.assert_almost_equal(xs, originalXs[:, :])
+
+ def _setDefaultSample(self, wsName):
+ geometry = {
+ 'Shape': 'Cylinder',
+ 'Height': 8.0,
+ 'Radius': 2.0,
+ 'Center': [0.0, 0.0, 0.0]
+ }
+ material = {
+ 'ChemicalFormula': 'V',
+ 'SampleNumberDensity': 0.1
+ }
+ kwargs = {
+ 'InputWorkspace': wsName,
+ 'Geometry': geometry,
+ 'Material': material
+ }
+ run_algorithm('SetSample', **kwargs)
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReductionTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReductionTest.py
index 77efb56acd0e856561222fe6f6d66461ab9dc27c..058d2376df2ef7dc1c9c5cad4dc5498c49724429 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReductionTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/OSIRISDiffractionReductionTest.py
@@ -1,4 +1,4 @@
-#pylint: disable=too-many-public-methods,invalid-name
+# pylint: disable=too-many-public-methods,invalid-name
from __future__ import (absolute_import, division, print_function)
import unittest
@@ -7,7 +7,6 @@ from mantid.api import *
class OSIRISDiffractionReductionTest(unittest.TestCase):
-
def test_basic_reduction_completes(self):
"""
Sanity test to ensure the most basic reduction actually completes.
@@ -23,11 +22,10 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
self.assertEqual(wks.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(wks.getNumberHistograms(), 1)
-
def test_reduction_with_manual_drange_completes(self):
"""
Test to ensure reduction with manual dRange selection completes.
- The run here is for dRange 4.
+ The run here is for dRange 3.
"""
wks = OSIRISDiffractionReduction(Sample=['OSI10203.raw'],
@@ -36,13 +34,12 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=3,
SpectraMax=361,
DetectDRange=False,
- DRange=4)
+ DRange="3")
self.assertTrue(isinstance(wks, MatrixWorkspace), 'Result workspace should be a matrix workspace.')
self.assertEqual(wks.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(wks.getNumberHistograms(), 1)
-
def test_reduction_with_can_subtraction(self):
"""
Tests reduction after subtraction of an empty can.
@@ -55,13 +52,12 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=3,
SpectraMax=361,
DetectDRange=False,
- DRange=4)
+ DRange="3")
self.assertTrue(isinstance(wks, MatrixWorkspace), 'Result workspace should be a matrix workspace.')
self.assertEqual(wks.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(wks.getNumberHistograms(), 1)
-
def test_reduction_with_can_subtraction_and_scale(self):
"""
Tests reduction after subtraction of an empty can.
@@ -75,20 +71,19 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=3,
SpectraMax=361,
DetectDRange=False,
- DRange=4)
+ DRange="3")
self.assertTrue(isinstance(wks, MatrixWorkspace), 'Result workspace should be a matrix workspace.')
self.assertEqual(wks.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(wks.getNumberHistograms(), 1)
-
def test_reduction_with_multiple_runs(self):
"""
Test reduction with multiple sample and vanadium runs
"""
- wks = OSIRISDiffractionReduction(Sample=['OSI10203.raw','OSI10204.RAW'],
+ wks = OSIRISDiffractionReduction(Sample=['OSI10203.raw', 'OSI10204.RAW'],
CalFile='osiris_041_RES10.cal',
- Vanadium=['OSI10156.raw','OSI10157.RAW'],
+ Vanadium=['OSI10156.raw', 'OSI10157.RAW'],
ContainerScaleFactor=0.5,
SpectraMin=3,
SpectraMax=361,
@@ -97,15 +92,14 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
self.assertEqual(wks.getAxis(0).getUnit().unitID(), 'dSpacing')
self.assertEqual(wks.getNumberHistograms(), 1)
-
def test_reduction_with_multiple_sample_and_multiple_can(self):
"""
Test reduction with multiple sample, vanadium and container runs
"""
- wks = OSIRISDiffractionReduction(Sample=['OSI10203.raw','OSI10204.RAW'],
+ wks = OSIRISDiffractionReduction(Sample=['OSI10203.raw', 'OSI10204.RAW'],
CalFile='osiris_041_RES10.cal',
- Vanadium=['OSI10156.raw','OSI10157.RAW'],
- Container=['OSI10241.raw','OSI10242.RAW'],
+ Vanadium=['OSI10156.raw', 'OSI10157.RAW'],
+ Container=['OSI10241.raw', 'OSI10242.RAW'],
ContainerScaleFactor=0.5,
SpectraMin=3,
SpectraMax=361,
@@ -142,7 +136,6 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=16,
SpectraMax=17)
-
def test_failure_no_vanadium(self):
"""
Tests error handling when failed to obtain a vanadium run.
@@ -155,7 +148,6 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=3,
SpectraMax=361)
-
def test_mismatch_sample_vanadium_numbers(self):
"""
Test error handling when number of samples is not equal to number of vanadium
@@ -168,7 +160,6 @@ class OSIRISDiffractionReductionTest(unittest.TestCase):
SpectraMin=3,
SpectraMax=361)
-
def test_mismatch_sample_container_numbers(self):
"""
Test error handling when number of samples is not equal to number of containers
diff --git a/Framework/PythonInterface/test/testhelpers/CMakeLists.txt b/Framework/PythonInterface/test/testhelpers/CMakeLists.txt
index 1f3f44d2d4b9f58caca1da014167fc61de55119c..9b4bbb3997011c639e06e7aaf600138085e15deb 100644
--- a/Framework/PythonInterface/test/testhelpers/CMakeLists.txt
+++ b/Framework/PythonInterface/test/testhelpers/CMakeLists.txt
@@ -5,6 +5,7 @@
set ( PY_FILES
__init__.py
algorithm_decorator.py
+ illhelpers.py
tempfile_wrapper.py
testrunner.py
mlzhelpers.py
diff --git a/Framework/PythonInterface/test/testhelpers/illhelpers.py b/Framework/PythonInterface/test/testhelpers/illhelpers.py
new file mode 100644
index 0000000000000000000000000000000000000000..20d86b73d3e9446c624ad1b2a10277f90a1d07de
--- /dev/null
+++ b/Framework/PythonInterface/test/testhelpers/illhelpers.py
@@ -0,0 +1,153 @@
+from __future__ import (absolute_import, division, print_function)
+
+from mantid.kernel import DeltaEModeType, UnitConversion
+import numpy
+from testhelpers import run_algorithm
+
+
+def _gaussian(x, height, x0, sigma):
+ """Return a point in the gaussian curve."""
+ x = x - x0
+ sigma2 = 2 * sigma * sigma
+ return height * numpy.exp(- x * x / sigma2)
+
+
+def _fillTemplateWorkspace(templateWS, bkgLevel):
+ """Fill a workspace with somewhat sane data."""
+ nHistograms = templateWS.getNumberHistograms()
+ E_i = 23.0
+ nBins = 128
+ binWidth = 2.63
+ elasticIndex = int(nBins / 3)
+ monitorElasticIndex = int(nBins / 2)
+ xs = numpy.empty(nHistograms*(nBins+1))
+ ys = numpy.empty(nHistograms*nBins)
+ es = numpy.empty(nHistograms*nBins)
+ instrument = templateWS.getInstrument()
+ sample = instrument.getSample()
+ l1 = sample.getDistance(instrument.getSource())
+ l2 = float(instrument.getStringParameter('l2')[0])
+ tofElastic = UnitConversion.run('Energy', 'TOF', E_i, l1, l2, 0.0, DeltaEModeType.Direct, 0.0)
+ tofBegin = tofElastic - elasticIndex * binWidth
+ monitor = instrument.getDetector(0)
+ monitorSampleDistance = sample.getDistance(monitor)
+ tofElasticMonitor = tofBegin + monitorElasticIndex * binWidth
+ tofMonitorDetector = UnitConversion.run('Energy', 'TOF', E_i, monitorSampleDistance, l2, 0.0,
+ DeltaEModeType.Direct, 0.0)
+ elasticPeakSigma = nBins * binWidth * 0.03
+ elasticPeakHeight = 1723.0
+ bkgMonitor = 1
+
+ def fillBins(histogramIndex, elasticTOF, elasticPeakHeight, bkgLevel):
+ xIndexOffset = histogramIndex*(nBins+1)
+ yIndexOffset = histogramIndex*nBins
+ xs[xIndexOffset] = tofBegin - binWidth / 2
+ for binIndex in range(nBins):
+ x = tofBegin + binIndex * binWidth
+ xs[xIndexOffset+binIndex+1] = x + binWidth / 2
+ y = round(_gaussian(x, elasticPeakHeight, elasticTOF,
+ elasticPeakSigma)) + bkgLevel
+ ys[yIndexOffset+binIndex] = y
+ es[yIndexOffset+binIndex] = numpy.sqrt(y)
+
+ fillBins(0, tofElasticMonitor, 1623 * elasticPeakHeight, bkgMonitor)
+ for histogramIndex in range(1, nHistograms):
+ trueL2 = sample.getDistance(templateWS.getDetector(histogramIndex))
+ trueTOF = UnitConversion.run('Energy', 'TOF', E_i, l1, trueL2, 0.0, DeltaEModeType.Direct, 0.0)
+ fillBins(histogramIndex, trueTOF, elasticPeakHeight, bkgLevel)
+ kwargs = {
+ 'DataX': xs,
+ 'DataY': ys,
+ 'DataE': es,
+ 'NSpec': nHistograms,
+ 'ParentWorkspace': templateWS,
+ 'child': True
+ }
+ alg = run_algorithm('CreateWorkspace', **kwargs)
+ ws = alg.getProperty('OutputWorkspace').value
+ ws.getAxis(0).setUnit('TOF')
+ kwargs = {
+ 'Workspace': ws,
+ 'LogName': 'Ei',
+ 'LogText': str(E_i),
+ 'LogType': 'Number',
+ 'NumberType': 'Double',
+ 'child': True
+ }
+ run_algorithm('AddSampleLog', **kwargs)
+ wavelength = UnitConversion.run('Energy', 'Wavelength', E_i, l1, l2, 0.0, DeltaEModeType.Direct, 0.0)
+ kwargs = {
+ 'Workspace': ws,
+ 'LogName': 'wavelength',
+ 'LogText': str(float(wavelength)),
+ 'LogType': 'Number',
+ 'NumberType': 'Double',
+ 'child': True
+ }
+ run_algorithm('AddSampleLog', **kwargs)
+ pulseInterval = \
+ tofMonitorDetector + (monitorElasticIndex - elasticIndex) * binWidth
+ kwargs = {
+ 'Workspace': ws,
+ 'LogName': 'pulse_interval',
+ 'LogText': str(float(pulseInterval * 1e-6)),
+ 'LogType': 'Number',
+ 'NumberType': 'Double',
+ 'child': True
+ }
+ run_algorithm('AddSampleLog', **kwargs)
+ kwargs = {
+ 'Workspace': ws,
+ 'LogName': 'Detector.elasticpeak',
+ 'LogText': str(elasticIndex),
+ 'LogType': 'Number',
+ 'NumberType': 'Int',
+ 'child': True
+ }
+ run_algorithm('AddSampleLog', **kwargs)
+ kwargs = {
+ 'Workspace': ws,
+ 'ParameterName': 'default-incident-monitor-spectrum',
+ 'ParameterType': 'Number',
+ 'Value': '1',
+ 'child': True
+ }
+ run_algorithm('SetInstrumentParameter', **kwargs)
+ return ws
+
+
+def create_poor_mans_in5_workspace(bkgLevel, removeDetectors):
+ kwargs = {
+ 'InstrumentName': 'IN5',
+ 'child': True
+ }
+ alg = run_algorithm('LoadEmptyInstrument', **kwargs)
+ ws = removeDetectors(alg.getProperty('OutputWorkspace').value)
+ kwargs = {
+ 'InputWorkspace': ws,
+ 'child': True
+ }
+ alg = run_algorithm('RemoveMaskedSpectra', **kwargs)
+ ws = alg.getProperty('OutputWorkspace').value
+ ws = _fillTemplateWorkspace(ws, bkgLevel)
+ return ws
+
+
+def default_test_detectors(ws):
+ mask = list()
+ for i in range(513):
+ if i % 10 != 0:
+ mask.append(i)
+ kwargs = {
+ 'Workspace': ws,
+ 'DetectorList': mask,
+ 'child': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ kwargs = {
+ 'Workspace': ws,
+ 'StartWorkspaceIndex': 512,
+ 'child': True
+ }
+ run_algorithm('MaskDetectors', **kwargs)
+ return ws
diff --git a/Framework/SINQ/src/PoldiPeakSearch.cpp b/Framework/SINQ/src/PoldiPeakSearch.cpp
index f6091db34bbda36f2cffc36a54bbcce16d7fb2ca..2b502b516b603112695686036ad0ccf2fc074b6f 100644
--- a/Framework/SINQ/src/PoldiPeakSearch.cpp
+++ b/Framework/SINQ/src/PoldiPeakSearch.cpp
@@ -564,7 +564,7 @@ void PoldiPeakSearch::exec() {
Unit_sptr xUnit = correlationWorkspace->getAxis(0)->unit();
- if (xUnit->caption() == "") {
+ if (xUnit->caption().empty()) {
g_log.information()
<< " Workspace does not have unit, defaulting to MomentumTransfer.\n";
diff --git a/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp b/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
index ad240c03ac1f2b3e9bc6328a414dc33cc1573164..e06f2da0426e1509b75454ba941b77b6a63cf964 100644
--- a/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
+++ b/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
@@ -51,7 +51,6 @@ using Mantid::Kernel::NetworkProxy;
#include <Poco/DateTimeFormatter.h>
// from boost
-#include <boost/foreach.hpp>
#include <boost/algorithm/string.hpp>
#include <boost/regex.hpp>
@@ -1318,7 +1317,7 @@ int ScriptRepositoryImpl::setAutoUpdate(const std::string &input_path,
// g_log.debug() << "SetAutoUpdate... begin\n";
try {
- BOOST_FOREACH (auto &path, files_to_update) {
+ for (auto &path : files_to_update) {
RepositoryEntry &entry = repo.at(path);
entry.auto_update = option;
updateLocalJson(path, entry); // TODO: update local json without opening
diff --git a/Framework/TestHelpers/inc/MantidTestHelpers/WorkspaceCreationHelper.h b/Framework/TestHelpers/inc/MantidTestHelpers/WorkspaceCreationHelper.h
index 6d3702ea0ad593196bff5d80d9f2bdd58ef4c7f5..9fb43aa103d15b9ac493121080938ee10445ff46 100644
--- a/Framework/TestHelpers/inc/MantidTestHelpers/WorkspaceCreationHelper.h
+++ b/Framework/TestHelpers/inc/MantidTestHelpers/WorkspaceCreationHelper.h
@@ -89,9 +89,13 @@ struct EPPTableRow {
/// Construct a row with the default values.
EPPTableRow() = default;
- /// Construct a row with errors set to zero.
+ /// Construct a row with default workspace index and errors set to zero.
EPPTableRow(const double peakCentre, const double sigma, const double height,
const FitStatus fitStatus);
+ /// Construct a row with errors set to zero.
+ EPPTableRow(const int index, const double peakCentre, const double sigma,
+ const double height, const FitStatus fitStatus);
+ int workspaceIndex = -1;
double peakCentre = 0;
double peakCentreError = 0;
double sigma = 0;
@@ -226,6 +230,20 @@ Mantid::DataObjects::Workspace2D_sptr create2DWorkspaceWithFullInstrument(
bool startYNegative = false, bool isHistogram = true,
const std::string &instrumentName = std::string("testInst"));
+/**
+ * Create a workspace as for create2DWorkspaceWithFullInstrument, but including
+ *time indexing, i.e. detector scans. Note that no positions or rotations are
+ *currently changed for the detector scan workspaces.
+ *
+ * Data filled with: Y: 2.0, E: sqrt(2.0), X: nbins of width 1 starting at 0
+ */
+Mantid::API::MatrixWorkspace_sptr
+create2DDetectorScanWorkspaceWithFullInstrument(
+ int nhist, int nbins, size_t nTimeIndexes, size_t startTime = 0,
+ size_t firstInterval = 1, bool includeMonitors = false,
+ bool startYNegative = false, bool isHistogram = true,
+ const std::string &instrumentName = std::string("testInst"));
+
/**
* Create a test workspace with a Theta numeric axis instead of a spectrum axis
* the values run from 1 to nhist
diff --git a/Framework/TestHelpers/src/FileComparisonHelper.cpp b/Framework/TestHelpers/src/FileComparisonHelper.cpp
index 5da64ccbeec582d9a8877421d18e9b54c03481c2..ccf783e80f24838877556223c3d75f81d45e8f30 100644
--- a/Framework/TestHelpers/src/FileComparisonHelper.cpp
+++ b/Framework/TestHelpers/src/FileComparisonHelper.cpp
@@ -112,7 +112,7 @@ bool areIteratorsEqual(streamCharIter refStream, streamCharIter testStream,
Mantid::Kernel::Logger g_log("FileComparisonHelper");
g_log.error("Length of both files were not identical");
areStreamsEqual = false;
- } else if (numNewLines == 0 && seenChars.size() == 0) {
+ } else if (numNewLines == 0 && seenChars.empty()) {
Mantid::Kernel::Logger g_log("FileComparisonHelper");
g_log.error("No characters checked in FileComparisonHelper");
areStreamsEqual = false;
@@ -190,7 +190,7 @@ bool isEqualToReferenceFile(const std::string &referenceFileName,
const std::string referenceFilePath =
Mantid::API::FileFinder::Instance().getFullPath(referenceFileName);
- if (referenceFilePath == "") {
+ if (referenceFilePath.empty()) {
throw std::invalid_argument("No reference file with the name: " +
referenceFileName +
" could be found by FileComparisonHelper");
diff --git a/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp b/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
index a1fbbcfba6b236346be0cf62c310b319995d015e..a71f823efa7b946f74d5ae885e34695ada2ae87f 100644
--- a/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
+++ b/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
@@ -22,6 +22,7 @@
#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidDataObjects/PeaksWorkspace.h"
+#include "MantidDataObjects/ScanningWorkspaceBuilder.h"
#include "MantidDataObjects/WorkspaceCreation.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
#include "MantidGeometry/Instrument/Component.h"
@@ -57,8 +58,14 @@ MockAlgorithm::MockAlgorithm(size_t nSteps)
EPPTableRow::EPPTableRow(const double peakCentre_, const double sigma_,
const double height_, const FitStatus fitStatus_)
- : peakCentre(peakCentre_), peakCentreError(0), sigma(sigma_), sigmaError(0),
- height(height_), heightError(0), chiSq(0), fitStatus(fitStatus_) {}
+ : peakCentre(peakCentre_), sigma(sigma_), height(height_),
+ fitStatus(fitStatus_) {}
+
+EPPTableRow::EPPTableRow(const int index, const double peakCentre_,
+ const double sigma_, const double height_,
+ const FitStatus fitStatus_)
+ : workspaceIndex(index), peakCentre(peakCentre_), sigma(sigma_),
+ height(height_), fitStatus(fitStatus_) {}
/**
* @param name :: The name of the workspace
@@ -372,6 +379,33 @@ create2DWorkspaceWithFullInstrument(int nhist, int nbins, bool includeMonitors,
return space;
}
+//================================================================================================================
+/*
+ * startTime is in seconds
+ */
+MatrixWorkspace_sptr create2DDetectorScanWorkspaceWithFullInstrument(
+ int nhist, int nbins, size_t nTimeIndexes, size_t startTime,
+ size_t firstInterval, bool includeMonitors, bool startYNegative,
+ bool isHistogram, const std::string &instrumentName) {
+
+ auto baseWS = create2DWorkspaceWithFullInstrument(
+ nhist, nbins, includeMonitors, startYNegative, isHistogram,
+ instrumentName);
+
+ auto builder =
+ ScanningWorkspaceBuilder(baseWS->getInstrument(), nTimeIndexes, nbins);
+
+ std::vector<double> timeRanges;
+ for (size_t i = 0; i < nTimeIndexes; ++i) {
+ timeRanges.push_back(double(i + firstInterval));
+ }
+
+ builder.setTimeRanges(Mantid::Kernel::DateAndTime(int(startTime), 0),
+ timeRanges);
+
+ return builder.buildWorkspace();
+}
+
//================================================================================================================
/** Create an Workspace2D with an instrument that contains
*RectangularDetector's.
@@ -1409,7 +1443,11 @@ createEPPTableWorkspace(const std::vector<EPPTableRow> &rows) {
auto statusColumn = ws->addColumn("str", "FitStatus");
for (size_t i = 0; i != rows.size(); ++i) {
const auto &row = rows[i];
- wsIndexColumn->cell<int>(i) = static_cast<int>(i);
+ if (row.workspaceIndex < 0) {
+ wsIndexColumn->cell<int>(i) = static_cast<int>(i);
+ } else {
+ wsIndexColumn->cell<int>(i) = row.workspaceIndex;
+ }
centreColumn->cell<double>(i) = row.peakCentre;
centreErrorColumn->cell<double>(i) = row.peakCentreError;
sigmaColumn->cell<double>(i) = row.sigma;
diff --git a/Framework/WorkflowAlgorithms/src/EQSANSLoad.cpp b/Framework/WorkflowAlgorithms/src/EQSANSLoad.cpp
index c5536b678ce7ba80ca84eae5e8d21f99c5ce6294..ca1966529fef5d90e05ca6d0897d5e8365f43bbb 100644
--- a/Framework/WorkflowAlgorithms/src/EQSANSLoad.cpp
+++ b/Framework/WorkflowAlgorithms/src/EQSANSLoad.cpp
@@ -579,24 +579,44 @@ void EQSANSLoad::exec() {
throw std::runtime_error("Could not cast (interpret) the property " +
dzName + " as a time series property value.");
sfdd = dp->getStatistics().mean;
- s2d = sfdd;
// Modify SDD according to the DetectorDistance offset if given
const double sampleflange_det_offset = getProperty("DetectorOffset");
if (!isEmpty(sampleflange_det_offset))
sfdd += sampleflange_det_offset;
- // Modify S2D according to the SampleDistance offset if given
- // This assumes that a positive offset moves the sample toward the detector
- const double sampleflange_sample_offset = getProperty("SampleOffset");
- if (!isEmpty(sampleflange_sample_offset))
- s2d = s2d - sampleflange_sample_offset + sampleflange_det_offset;
-
- // Modify SDD according to SampleDetectorDistanceOffset offset if given
+ // Modify SDD according to SampleDetectorDistanceOffset offset if given.
+ // This is here for backward compatibility.
const double sample_det_offset =
getProperty("SampleDetectorDistanceOffset");
if (!isEmpty(sample_det_offset))
- s2d += sample_det_offset;
+ sfdd += sample_det_offset;
+ if (!isEmpty(sample_det_offset) && !isEmpty(sampleflange_det_offset))
+ g_log.error() << "Both DetectorOffset and SampleDetectorDistanceOffset "
+ "are set. Only one should be used.\n";
+
+ s2d = sfdd;
+ // Modify S2D according to the SampleDistance offset if given
+ // This assumes that a positive offset moves the sample toward the detector
+ const double sampleflange_sample_offset = getProperty("SampleOffset");
+ if (!isEmpty(sampleflange_sample_offset)) {
+ s2d -= sampleflange_sample_offset;
+
+ // Move the sample to its correct position
+ IAlgorithm_sptr mvAlg =
+ createChildAlgorithm("MoveInstrumentComponent", 0.2, 0.4);
+ mvAlg->setProperty<MatrixWorkspace_sptr>("Workspace", dataWS);
+ mvAlg->setProperty("ComponentName", "sample-position");
+ mvAlg->setProperty("Z", sampleflange_sample_offset / 1000.0);
+ mvAlg->setProperty("RelativePosition", false);
+ mvAlg->executeAsChildAlg();
+ g_log.information() << "Moving sample to "
+ << sampleflange_sample_offset / 1000.0 << " meters\n";
+ m_output_message += " Sample position: " +
+ Poco::NumberFormatter::format(
+ sampleflange_sample_offset / 1000.0, 3) +
+ " m\n";
+ }
}
dataWS->mutableRun().addProperty("sampleflange_detector_distance", sfdd, "mm",
true);
@@ -812,7 +832,6 @@ void EQSANSLoad::exec() {
getPropertyValue("OutputWorkspace"), true);
setProperty<MatrixWorkspace_sptr>(
"OutputWorkspace", boost::dynamic_pointer_cast<MatrixWorkspace>(dataWS));
- // m_output_message = "Loaded " + fileName + '\n' + m_output_message;
setPropertyValue("OutputMessage", m_output_message);
}
diff --git a/MantidPlot/src/ApplicationWindow.cpp b/MantidPlot/src/ApplicationWindow.cpp
index 20d5eac82f2721f6289e0839770dc286c59fa4b7..fc9010bc2a65aef1d17f09b351baf7f7b5f2719d 100644
--- a/MantidPlot/src/ApplicationWindow.cpp
+++ b/MantidPlot/src/ApplicationWindow.cpp
@@ -15064,7 +15064,7 @@ bool ApplicationWindow::runPythonScript(const QString &code, bool async,
}
bool success(false);
if (async) {
- m_iface_script->recursiveAsyncSetup();
+ const bool locked = m_iface_script->recursiveAsyncSetup();
auto job = m_iface_script->executeAsync(ScriptCode(code));
// Start a local event loop to keep processing events
// while we are running the script. Inspired by the IPython
@@ -15077,7 +15077,7 @@ bool ApplicationWindow::runPythonScript(const QString &code, bool async,
eventLoop.exec();
timer.stop();
}
- m_iface_script->recursiveAsyncTeardown();
+ m_iface_script->recursiveAsyncTeardown(locked);
success = job.result();
} else {
success = m_iface_script->execute(ScriptCode(code));
diff --git a/MantidPlot/src/Mantid/MantidTable.cpp b/MantidPlot/src/Mantid/MantidTable.cpp
index 57b0de391e2cae091c082f468a72d8223d60602d..df74d10edb4b2c63a7933b55c5c9dcc6f676723b 100644
--- a/MantidPlot/src/Mantid/MantidTable.cpp
+++ b/MantidPlot/src/Mantid/MantidTable.cpp
@@ -312,6 +312,12 @@ void MantidTable::cellEdited(int row, int col) {
d_table->setText(row, col, QString::fromStdString(s.str()));
}
+void MantidTable::setPlotDesignation(Table::PlotDesignation pd,
+ bool rightColumns) {
+ Table::setPlotDesignation(pd, rightColumns);
+ setPlotTypeForSelectedColumns(pd);
+}
+
//------------------------------------------------------------------------------------------------
/** Call an algorithm in order to delete table rows
*
@@ -423,6 +429,19 @@ void MantidTable::sortColumns(const QStringList &s, int type, int order,
}
}
+/** Set the plot type on the workspace for each selected column
+ *
+ * @param plotType :: the plot type to set the selected columns to.
+ */
+void MantidTable::setPlotTypeForSelectedColumns(int plotType) {
+ const auto list = selectedColumns();
+ for (const auto &name : list) {
+ const auto col = colIndex(name);
+ const auto column = m_ws->getColumn(col);
+ column->setPlotType(plotType);
+ }
+}
+
void MantidTable::sortTableDialog() {
QHash<QString, QString> paramList;
paramList["InputWorkspace"] = QString::fromStdString(m_wsName);
diff --git a/MantidPlot/src/Mantid/MantidTable.h b/MantidPlot/src/Mantid/MantidTable.h
index 16335b2789d2f222961581713630020cf1b3db92..d8d2de69f46c4871ed49270fcc9815565be0df9c 100644
--- a/MantidPlot/src/Mantid/MantidTable.h
+++ b/MantidPlot/src/Mantid/MantidTable.h
@@ -35,6 +35,8 @@ signals:
public slots:
void deleteRows(int startRow, int endRow) override;
void cellEdited(int, int col) override;
+ void setPlotDesignation(PlotDesignation pd,
+ bool rightColumns = false) override;
protected slots:
void closeTable();
@@ -57,6 +59,9 @@ protected:
const QString &leadCol = QString()) override;
private:
+ /// Set the plot type on the workspace for each selected column
+ void setPlotTypeForSelectedColumns(int plotType);
+
/// ITableWorkspace being displayed
Mantid::API::ITableWorkspace_sptr m_ws;
/// Name of the TableWorkspace being displayed
diff --git a/MantidPlot/src/PythonScript.cpp b/MantidPlot/src/PythonScript.cpp
index c0b617a2e0a032e52eca356395f62094874a7b7e..4059ba6fef91d3688c2cc8c4e84a1616b24c612a 100644
--- a/MantidPlot/src/PythonScript.cpp
+++ b/MantidPlot/src/PythonScript.cpp
@@ -457,19 +457,24 @@ void PythonScript::endStdoutRedirect() {
/**
* To be called from the main thread before an async call that is
* recursive. See ApplicationWindow::runPythonScript
+ * @return True if the lock was released by this call, false otherwise
*/
-void PythonScript::recursiveAsyncSetup() {
+bool PythonScript::recursiveAsyncSetup() {
if (gil().locked()) {
gil().release();
+ return true;
}
+ return false;
}
/**
* To be called from the main thread immediately after an async call
* that is recursive. See ApplicationWindow::runPythonScript
+ * @param relock If true then relock the GIL on this thread. This should use the
+ * value returned by recursiveAsyncSetup.
*/
-void PythonScript::recursiveAsyncTeardown() {
- if (!gil().locked()) {
+void PythonScript::recursiveAsyncTeardown(bool relock) {
+ if (relock) {
gil().acquire();
}
}
diff --git a/MantidPlot/src/PythonScript.h b/MantidPlot/src/PythonScript.h
index 33d23551d1aa22643df2ffdebce2dc25c4d03911..39ea07d97986365364521a67357c22fb852be465 100644
--- a/MantidPlot/src/PythonScript.h
+++ b/MantidPlot/src/PythonScript.h
@@ -172,8 +172,8 @@ private:
// are used for this purpose and are NOT used by the general executeAsync
// methods where the GILState API functions can cope and there is no
// recursion.
- virtual void recursiveAsyncSetup() override;
- virtual void recursiveAsyncTeardown() override;
+ virtual bool recursiveAsyncSetup() override;
+ virtual void recursiveAsyncTeardown(bool relock) override;
/// Compile the code, returning true if it was successful, false otherwise
bool compileImpl() override;
diff --git a/MantidPlot/src/PythonScripting.cpp b/MantidPlot/src/PythonScripting.cpp
index d6ea4bb74be6ccd0becf9bbc68a03bdf56f58379..e57095be4a676a3fd1638d783ea14223e6ad6390 100644
--- a/MantidPlot/src/PythonScripting.cpp
+++ b/MantidPlot/src/PythonScripting.cpp
@@ -137,9 +137,8 @@ bool PythonScripting::start() {
#else
PyImport_AppendInittab("_qti", &init_qti);
#endif
- Py_Initialize();
- // Assume this is called at startup by the the main thread so no GIL
- // required...yet
+ PythonInterpreter::initialize();
+ ScopedPythonGIL lock(gil());
// Keep a hold of the globals, math and sys dictionary objects
PyObject *mainmod = PyImport_AddModule("__main__");
@@ -189,20 +188,6 @@ bool PythonScripting::start() {
} else {
d_initialized = false;
}
- if (d_initialized) {
- // We will be using C threads created outside of the Python threading module
- // so we need the GIL. This creates and acquires the lock for this thread
- PyEval_InitThreads();
- // We immediately release the lock and threadstate so that other points in
- // the code can simply use the PyGILstate_Ensure/PyGILstate_Release()
- // mechanism (through the ScopedPythonGIL class) and they don't
- // need to worry about swapping out the threadstate before hand.
- // It would be better if the ScopedPythonGIL handled this but
- // PyEval_SaveThread() needs to be called in the thread that spawns the
- // new C thread meaning that ScopedPythonGIL could no longer
- // be used as a simple RAII class on the stack from within the new thread.
- m_mainThreadState = PyEval_SaveThread();
- }
return d_initialized;
}
@@ -210,9 +195,12 @@ bool PythonScripting::start() {
* Shutdown the interpreter
*/
void PythonScripting::shutdown() {
- PyEval_RestoreThread(m_mainThreadState);
+ // The scoped lock cannot be used here as after the
+ // finalize call no Python code can execute.
+ PythonGIL gil;
+ gil.acquire();
Py_XDECREF(m_math);
- Py_Finalize();
+ PythonInterpreter::finalize();
}
void PythonScripting::setupPythonPath() {
diff --git a/MantidPlot/src/Script.h b/MantidPlot/src/Script.h
index 0baf7eebeccc14fb6174b48cc8f7374017a1fc7d..b1f6c0aed7c6af624073585d26e6a7bd9427bcc3 100644
--- a/MantidPlot/src/Script.h
+++ b/MantidPlot/src/Script.h
@@ -91,8 +91,8 @@ public:
bool redirectStdOut() const { return m_redirectOutput; }
void redirectStdOut(bool on) { m_redirectOutput = on; }
- virtual void recursiveAsyncSetup() {}
- virtual void recursiveAsyncTeardown() {}
+ virtual bool recursiveAsyncSetup() { return false; }
+ virtual void recursiveAsyncTeardown(bool) {}
/// Create a list of keywords for the code completion API
virtual void generateAutoCompleteList() {}
diff --git a/MantidPlot/src/Table.h b/MantidPlot/src/Table.h
index 4c0338c34e32e63fa1e78a933d0406812d5eba4b..25003e1bf82b8a45a05aa7f2fe723b07daab1d02 100644
--- a/MantidPlot/src/Table.h
+++ b/MantidPlot/src/Table.h
@@ -156,7 +156,8 @@ public slots:
int colPlotDesignation(int col) { return col_plot_type[col]; };
void setColPlotDesignation(int col, PlotDesignation pd);
- void setPlotDesignation(PlotDesignation pd, bool rightColumns = false);
+ virtual void setPlotDesignation(PlotDesignation pd,
+ bool rightColumns = false);
QList<int> plotDesignations() { return col_plot_type; };
void setHeader(QStringList header);
diff --git a/Testing/Data/SystemTest/C6H5Cl-Gaussian.log.md5 b/Testing/Data/SystemTest/C6H5Cl-Gaussian.log.md5
new file mode 100644
index 0000000000000000000000000000000000000000..85110264ad912421770be51ee0556b1ffec37db0
--- /dev/null
+++ b/Testing/Data/SystemTest/C6H5Cl-Gaussian.log.md5
@@ -0,0 +1 @@
+689a5221e1843b715ddf4430dc692026
diff --git a/Testing/Data/SystemTest/C6H5Cl-Gaussian.nxs.md5 b/Testing/Data/SystemTest/C6H5Cl-Gaussian.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..e536bb4ffd8ce11e9dabbf3d9e0ebdf562ba1a41
--- /dev/null
+++ b/Testing/Data/SystemTest/C6H5Cl-Gaussian.nxs.md5
@@ -0,0 +1 @@
+f1f62461da1f6153030a035259e45467
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/HRP66028.raw.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66028.raw.md5
new file mode 100644
index 0000000000000000000000000000000000000000..a897b52d8cb98334db656e51542201c73aacaadb
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66028.raw.md5
@@ -0,0 +1 @@
+bd4389d6c47a45836bccfa1025c6310f
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/HRP66031.raw.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66031.raw.md5
new file mode 100644
index 0000000000000000000000000000000000000000..56d9dba0e9da6de6cdbf9a6259c063bad37b6a43
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66031.raw.md5
@@ -0,0 +1 @@
+2ddf5e50e005fc5c1ca59528b14f6041
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/HRP66063.raw.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66063.raw.md5
new file mode 100644
index 0000000000000000000000000000000000000000..ebd52023c113cfda00e164796426f5397c2cf05e
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/HRP66063.raw.md5
@@ -0,0 +1 @@
+fe7414dbf3b0323a541ee7c6fa8f1038
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66031_splined.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66031_splined.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..a5c06926af13ce27945e90d9cb3d99f9a3e03054
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66031_splined.nxs.md5
@@ -0,0 +1 @@
+109a72ffc8f2f708466170abd8f7b1e4
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66063_focused.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66063_focused.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..c3e4c564ebd1c7ad1e7d48534242b2f06ecc3727
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/HRPD66063_focused.nxs.md5
@@ -0,0 +1 @@
+ae9643b1d3d286b0d632fc638258b864
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/ISIS_Powder-HRPD-VanSplined_66031_hrpd_new_072_01_corr.cal.nxs.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/ISIS_Powder-HRPD-VanSplined_66031_hrpd_new_072_01_corr.cal.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..a5c06926af13ce27945e90d9cb3d99f9a3e03054
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/ISIS_Powder-HRPD-VanSplined_66031_hrpd_new_072_01_corr.cal.nxs.md5
@@ -0,0 +1 @@
+109a72ffc8f2f708466170abd8f7b1e4
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/hrpd_new_072_01_corr.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/hrpd_new_072_01_corr.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..9bbc1c282732f9fa88556d6dfaa36b915e94ee1c
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/16_5/hrpd_new_072_01_corr.cal.md5
@@ -0,0 +1 @@
+d406fb6cbec5fd36d5f22945caae3403
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/hrpd_new_072_01_corr.cal.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/hrpd_new_072_01_corr.cal.md5
new file mode 100644
index 0000000000000000000000000000000000000000..9bbc1c282732f9fa88556d6dfaa36b915e94ee1c
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/calibration/hrp/hrpd_new_072_01_corr.cal.md5
@@ -0,0 +1 @@
+d406fb6cbec5fd36d5f22945caae3403
\ No newline at end of file
diff --git a/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/hrpd_system_test_mapping.yaml.md5 b/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/hrpd_system_test_mapping.yaml.md5
new file mode 100644
index 0000000000000000000000000000000000000000..d7c63b8f1e6ed8a7efdb4d482ed1131fb4af1808
--- /dev/null
+++ b/Testing/Data/SystemTest/ISIS_Powder/input/yaml_files/hrpd_system_test_mapping.yaml.md5
@@ -0,0 +1 @@
+e5ca19c01acbaa5379e28c940bf91920
\ No newline at end of file
diff --git a/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN.log.md5 b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN.log.md5
new file mode 100644
index 0000000000000000000000000000000000000000..85110264ad912421770be51ee0556b1ffec37db0
--- /dev/null
+++ b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN.log.md5
@@ -0,0 +1 @@
+689a5221e1843b715ddf4430dc692026
diff --git a/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_atomic_displacements_data_0.txt.md5 b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_atomic_displacements_data_0.txt.md5
new file mode 100644
index 0000000000000000000000000000000000000000..c09576016aed8cb69f667cace967dbd321c56dba
--- /dev/null
+++ b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_atomic_displacements_data_0.txt.md5
@@ -0,0 +1 @@
+98450f7b27e05c8a50232f2ffb85ec03
diff --git a/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_data.txt.md5 b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_data.txt.md5
new file mode 100644
index 0000000000000000000000000000000000000000..dc580cfdbc639c5b75e7e1d7e44fff8caad29a49
--- /dev/null
+++ b/Testing/Data/UnitTest/C6H5Cl-LoadGAUSSIAN_data.txt.md5
@@ -0,0 +1 @@
+60a62d7d0021d18947be1f8fb19e7de9
diff --git a/Testing/Data/UnitTest/ILL/D17/317369.nxs.md5 b/Testing/Data/UnitTest/ILL/D17/317369.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..08fde85347f5b9cf721fe4455cdf01ac29e365b7
--- /dev/null
+++ b/Testing/Data/UnitTest/ILL/D17/317369.nxs.md5
@@ -0,0 +1 @@
+c4b113c36f68e45706079c19d19a6d9c
diff --git a/Testing/Data/UnitTest/ILL/D17/317370.nxs.md5 b/Testing/Data/UnitTest/ILL/D17/317370.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..f7a0c4446529ef122f40e3b73f58e97893c9460b
--- /dev/null
+++ b/Testing/Data/UnitTest/ILL/D17/317370.nxs.md5
@@ -0,0 +1 @@
+714ad2e82bf26332921faf4becd44068
diff --git a/Testing/Data/UnitTest/ILL/Figaro/598488.nxs.md5 b/Testing/Data/UnitTest/ILL/Figaro/598488.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..45e24486ef797697ab17dc98f1a1621c49f6e9c6
--- /dev/null
+++ b/Testing/Data/UnitTest/ILL/Figaro/598488.nxs.md5
@@ -0,0 +1 @@
+f44d182012bc0e9e68e433d21d52882e
diff --git a/Testing/Data/UnitTest/ILLD17-161876-Ni.nxs.md5 b/Testing/Data/UnitTest/ILLD17-161876-Ni.nxs.md5
deleted file mode 100644
index 2235b85a783172c3877453127cc5d2b8ab2c4a04..0000000000000000000000000000000000000000
--- a/Testing/Data/UnitTest/ILLD17-161876-Ni.nxs.md5
+++ /dev/null
@@ -1 +0,0 @@
-f2e6a675aab0066ad9a9577a4160a720
diff --git a/Testing/SystemTests/tests/analysis/AbinsTest.py b/Testing/SystemTests/tests/analysis/AbinsTest.py
index c5b98c6692fe2cca8d158730749fbe15400c4411..8c345d86a8ee0b2560b0035608f844e36e21009e 100644
--- a/Testing/SystemTests/tests/analysis/AbinsTest.py
+++ b/Testing/SystemTests/tests/analysis/AbinsTest.py
@@ -1,14 +1,9 @@
from __future__ import (absolute_import, division, print_function)
-import numpy as np
import stresstesting
from mantid.simpleapi import Abins, mtd, DeleteWorkspace
from AbinsModules import AbinsConstants, AbinsTestHelpers
-def skip_tests():
- return not hasattr(np, "einsum")
-
-
class HelperTestingClass(object):
def __init__(self):
@@ -18,7 +13,7 @@ class HelperTestingClass(object):
self._atoms = ""
self._sum_contributions = True
self._cross_section_factor = "Incoherent"
- self._extension = {"CASTEP": ".phonon", "CRYSTAL": ".out", "DMOL3": ".outmol"}
+ self._extension = {"CASTEP": ".phonon", "CRYSTAL": ".out", "DMOL3": ".outmol", "GAUSSIAN": ".log"}
self._output_name = "output_workspace"
self._ref = "reference_workspace"
self._scale = 1.0
@@ -155,9 +150,6 @@ class AbinsCRYSTALTestScratch(stresstesting.MantidStressTest, HelperTestingClass
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -188,9 +180,6 @@ class AbinsCRYSTALTestBiggerSystem(stresstesting.MantidStressTest, HelperTesting
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -218,9 +207,6 @@ class AbinsCRYSTALTestT(stresstesting.MantidStressTest, HelperTestingClass):
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -251,9 +237,6 @@ class AbinsCRYSTALTestLargerOrder(stresstesting.MantidStressTest, HelperTestingC
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -284,9 +267,6 @@ class AbinsCRYSTALTestSmallerOrder(stresstesting.MantidStressTest, HelperTesting
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -311,9 +291,6 @@ class AbinsCRYSTALTestScale(stresstesting.MantidStressTest, HelperTestingClass):
_ref_result = None
tolerance = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -341,9 +318,6 @@ class AbinsCASTEPNoH(stresstesting.MantidStressTest, HelperTestingClass):
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -369,9 +343,6 @@ class AbinsCASTEP1DDispersion(stresstesting.MantidStressTest, HelperTestingClass
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -397,9 +368,6 @@ class AbinsDMOL3TestScratch(stresstesting.MantidStressTest, HelperTestingClass):
tolerance = None
ref_result = None
- def skipTests(self):
- return skip_tests()
-
def runTest(self):
HelperTestingClass.__init__(self)
@@ -418,3 +386,31 @@ class AbinsDMOL3TestScratch(stresstesting.MantidStressTest, HelperTestingClass):
def validate(self):
self.tolerance = 1e-2
return self._output_name, self.ref_result
+
+
+class AbinsGAUSSIANestScratch(stresstesting.MantidStressTest, HelperTestingClass):
+ """
+ In this benchmark it is tested if calculation from scratch with input data from GAUSSIAN and for 1-4 quantum
+ order events is correct.
+ """
+ tolerance = None
+ ref_result = None
+
+ def runTest(self):
+ HelperTestingClass.__init__(self)
+
+ name = "C6H5Cl-Gaussian"
+
+ self.ref_result = name + ".nxs"
+ self.set_dft_program("GAUSSIAN")
+ self.set_name(name)
+ self.set_order(AbinsConstants.QUANTUM_ORDER_FOUR)
+ self.set_cross_section(cross_section="Incoherent")
+ self.case_from_scratch()
+
+ def excludeInPullRequests(self):
+ return True
+
+ def validate(self):
+ self.tolerance = 1e-2
+ return self._output_name, self.ref_result
diff --git a/Testing/SystemTests/tests/analysis/EnggCalibrationTest.py b/Testing/SystemTests/tests/analysis/EnggCalibrationTest.py
index 51971cb36097c9111a61cadc9a91c40848e79b0b..3adc980142a5e1b65dd653d5599f40b916ab4b57 100644
--- a/Testing/SystemTests/tests/analysis/EnggCalibrationTest.py
+++ b/Testing/SystemTests/tests/analysis/EnggCalibrationTest.py
@@ -1,6 +1,7 @@
#pylint: disable=no-init
import stresstesting
from mantid.simpleapi import *
+from six import PY2
def rel_err_less_delta(val, ref, epsilon):
@@ -234,7 +235,8 @@ class EnginXCalibrateFullThenCalibrateTest(stresstesting.MantidStressTest):
for idx in [0, 12, 516, 789, 891, 1112]:
cell_val = self.peaks_info.cell(idx,1)
self.assertTrue(isinstance(cell_val, str))
- self.assertEquals(cell_val[0:11], '{"1": {"A":')
+ if PY2: # This test depends on consistent ordering of a dict which is not guaranteed for python 3
+ self.assertEquals(cell_val[0:11], '{"1": {"A":')
self.assertEquals(cell_val[-2:], '}}')
self.assertEquals(self.difa, 0)
diff --git a/Testing/SystemTests/tests/analysis/ISISDirectReductionComponents.py b/Testing/SystemTests/tests/analysis/ISISDirectReductionComponents.py
index 89d863802bc535856b40f160e3b049e37c935abc..939750f6e9435f0ac7b0a432ab0c6da4323e9e35 100644
--- a/Testing/SystemTests/tests/analysis/ISISDirectReductionComponents.py
+++ b/Testing/SystemTests/tests/analysis/ISISDirectReductionComponents.py
@@ -190,6 +190,9 @@ class ISISLoadFilesMER(stresstesting.MantidStressTest):
propman.sample_run = 6398 # (raw file)
propman.det_cal_file = 6399
propman.load_monitors_with_workspace = False
+ propman.mon1_norm_spec = 69633
+ propman.ei_mon1_spec = [ 69634,69635,69636,69637]
+ propman.ei_mon2_spec = [ 69638,69639,69640,69641]
mon_ws = PropertyManager.sample_run.get_monitors_ws()
self.assertTrue(mon_ws is not None)
@@ -199,7 +202,6 @@ class ISISLoadFilesMER(stresstesting.MantidStressTest):
self.assertEqual(ws.getNumberHistograms(),69632)
self.assertEqual(mon_ws.getNumberHistograms(),9)
- # test load together
propman.sample_run = None # (clean things up)
propman.load_monitors_with_workspace = True
propman.sample_run = 6398
@@ -309,5 +311,5 @@ class ISISLoadFilesLET(stresstesting.MantidStressTest):
if __name__=="__main__":
- tester = ISISLoadFilesLET()
+ tester = ISISLoadFilesMER()
tester.runTest()
diff --git a/Testing/SystemTests/tests/analysis/ISIS_PowderHRPDTest.py b/Testing/SystemTests/tests/analysis/ISIS_PowderHRPDTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..6977b7d3b2e1db40f39a93faf14dea68c7fd9d22
--- /dev/null
+++ b/Testing/SystemTests/tests/analysis/ISIS_PowderHRPDTest.py
@@ -0,0 +1,183 @@
+from __future__ import (absolute_import, division, print_function)
+
+import os
+import shutil
+import stresstesting
+
+import mantid.simpleapi as mantid
+from mantid import config
+
+from isis_powder import HRPD, SampleDetails
+
+DIRS = config['datasearch.directories'].split(';')
+user_name = "Test"
+cycle_number = "16_5"
+
+# Setup various path details
+
+inst_name = "HRP"
+# Relative to system data folder
+working_folder_name = "ISIS_Powder"
+
+# Relative to working folder
+input_folder_name = "input"
+output_folder_name = "output"
+
+# Generate paths for the tests
+# This implies DIRS[0] is the system test data folder
+working_dir = os.path.join(DIRS[0], working_folder_name)
+
+input_dir = os.path.join(working_dir, input_folder_name)
+output_dir = os.path.join(working_dir, output_folder_name)
+
+# Relative to input folder
+calibration_folder_name = os.path.join("calibration", inst_name.lower())
+calibration_map_rel_path = os.path.join("yaml_files", "hrpd_system_test_mapping.yaml")
+spline_rel_path = os.path.join(cycle_number, "VanSplined_66031_hrpd_new_072_01_corr.cal.nxs")
+
+calibration_map_path = os.path.join(input_dir, calibration_map_rel_path)
+calibration_dir = os.path.join(input_dir, calibration_folder_name)
+spline_path = os.path.join(calibration_dir, spline_rel_path)
+
+
+class CreateVanadiumTest(stresstesting.MantidStressTest):
+
+ calibration_results = None
+ existing_config = config['datasearch.directories']
+
+ def requiredFiles(self):
+ return _gen_required_files()
+
+ def runTest(self):
+ setup_mantid_paths()
+ self.calibration_results = run_vanadium_calibration()
+
+ def validate(self):
+ return calibration_validator(self.calibration_results)
+
+ def cleanup(self):
+ try:
+ _try_delete(output_dir)
+ _try_delete(spline_path)
+ finally:
+ mantid.mtd.clear()
+ config['datasearch.directories'] = self.existing_config
+
+
+class FocusTest(stresstesting.MantidStressTest):
+
+ focus_results = None
+ existing_config = config["datasearch.directories"]
+
+ def requiredFiles(self):
+ return _gen_required_files()
+
+ def runTest(self):
+ # Gen vanadium calibration first
+ setup_mantid_paths()
+ self.focus_results = run_focus()
+
+ def validate(self):
+ return focus_validation(self.focus_results)
+
+ def cleanup(self):
+ try:
+ _try_delete(spline_path)
+ _try_delete(output_dir)
+ finally:
+ config["datasearch.directories"] = self.existing_config
+ mantid.mtd.clear()
+
+
+def _compare_ws(reference_file_name, results):
+ ref_ws = mantid.Load(Filename=reference_file_name)
+ is_valid = len(results) > 0
+
+ for (ws, ref) in zip(results, ref_ws):
+ if not mantid.CompareWorkspaces(Workspace1=ws, Workspace2=ref):
+ is_valid = False
+ print("{} was not equal to {}".format(ws.getName(), ref.getName()))
+
+ return is_valid
+
+
+def _gen_required_files():
+ required_run_numbers = gen_required_run_numbers()
+ input_files = [os.path.join(input_dir, (inst_name + number + ".raw")) for number in required_run_numbers]
+ input_files.append(calibration_map_path)
+ return input_files
+
+
+def gen_required_run_numbers():
+ return ["66028", # Sample empty
+ "66031", # Vanadium
+ "66063"] # Run to focus
+
+
+def calibration_validator(results):
+ reference_file_name = "ISIS_Powder-HRPD-VanSplined_66031_hrpd_new_072_01_corr.cal.nxs"
+ return _compare_ws(reference_file_name=reference_file_name, results=results)
+
+
+def focus_validation(results):
+ reference_file_name = "HRPD66063_focused.nxs"
+ return _compare_ws(reference_file_name=reference_file_name, results=results)
+
+
+def run_vanadium_calibration():
+ vanadium_run = 66031 # Choose arbitrary run from cycle 16_5
+ inst_obj = setup_inst_object()
+ inst_obj.create_vanadium(first_cycle_run_no=vanadium_run,
+ do_absorb_corrections=True,
+ multiple_scattering=False,
+ window="10-110")
+
+ # Check the spline looks good and was saved
+ if not os.path.exists(spline_path):
+ raise RuntimeError("Could not find output spline at the following path: {}".format(spline_path))
+ splined_ws = mantid.Load(Filename=spline_path)
+
+ return splined_ws
+
+
+def run_focus():
+ [sample_empty, _, run_number] = gen_required_run_numbers()
+ sample_empty_scale = 1
+
+ # Copy the required spline file into place first (instead of relying on the generated one)
+ splined_file_name = "HRPD66031_splined.nxs"
+
+ original_splined_path = os.path.join(input_dir, splined_file_name)
+ shutil.copy(original_splined_path, spline_path)
+
+ inst_object = setup_inst_object()
+
+ sample = SampleDetails(shape="cylinder", center=[1, 5, 1], height=1, radius=1)
+ sample.set_material(chemical_formula="Si")
+ inst_object.set_sample_details(sample=sample)
+
+ return inst_object.focus(run_number=run_number, window="10-110", sample_empty=sample_empty,
+ sample_empty_scale=sample_empty_scale, vanadium_normalisation=True,
+ do_absorb_corrections=True, multiple_scattering=False)
+
+
+def setup_inst_object():
+ inst_obj = HRPD(user_name=user_name, calibration_mapping_file=calibration_map_path,
+ calibration_directory=calibration_dir, output_directory=output_dir)
+ return inst_obj
+
+
+def setup_mantid_paths():
+ config['datasearch.directories'] += ";" + input_dir
+ config['datasearch.directories'] += ";" + os.path.join(calibration_dir, cycle_number)
+
+
+def _try_delete(path):
+ try:
+ # Use this instead of os.remove as we could be passed a non-empty dir
+ if os.path.isdir(path):
+ shutil.rmtree(path)
+ else:
+ os.remove(path)
+ except OSError:
+ print("Could not delete output file at: ", path)
diff --git a/Testing/SystemTests/tests/analysis/LoadLotsOfFiles.py b/Testing/SystemTests/tests/analysis/LoadLotsOfFiles.py
index e9faa5b9a02dc3d199b3c7fc5f69fd29a572301d..3b1e0eb0d1f54f5ce29e26b89e0aec5fd061b42e 100644
--- a/Testing/SystemTests/tests/analysis/LoadLotsOfFiles.py
+++ b/Testing/SystemTests/tests/analysis/LoadLotsOfFiles.py
@@ -20,6 +20,7 @@ BANNED_FILES = ['80_tubes_Top_and_Bottom_April_2015.xml',
'BioSANS_exp61_scan0004_0001.xml',
'BioSANS_flood_data.xml',
'BioSANS_sample_trans.xml',
+ 'C6H5Cl-Gaussian.log',
'CNCS_TS_2008_08_18.dat',
'DISF_NaF.cdl',
'det_corrected7.dat',
@@ -106,7 +107,8 @@ BANNED_FILES = ['80_tubes_Top_and_Bottom_April_2015.xml',
'TolueneLargerOrderAbins.out',
'TolueneScale.out',
'TolueneScratchAbins.out',
- 'SingleCrystalDiffuseReduction_UB.mat'
+ 'SingleCrystalDiffuseReduction_UB.mat',
+ 'Na2SiF6_DMOL3.outmol'
]
EXPECTED_EXT = '.expected'
diff --git a/buildconfig/CMake/DarwinSetup.cmake b/buildconfig/CMake/DarwinSetup.cmake
index 3599de27c11070389f5fdf40fdaf3871c018baea..33f09b2c68ee640ec3a6fbdb0b72b8dc539ac07f 100644
--- a/buildconfig/CMake/DarwinSetup.cmake
+++ b/buildconfig/CMake/DarwinSetup.cmake
@@ -51,25 +51,12 @@ else ()
set ( PY_VER 2.7 )
endif ()
-execute_process(COMMAND python${PY_VER}-config --prefix OUTPUT_VARIABLE PYTHON_PREFIX OUTPUT_STRIP_TRAILING_WHITESPACE)
-
-if(${PYTHON_VERSION_MAJOR} GREATER 2)
- execute_process(COMMAND python${PY_VER}-config --abiflags OUTPUT_VARIABLE PY_ABI OUTPUT_STRIP_TRAILING_WHITESPACE)
-else()
- # --abiflags option not available in python 2
- set(PY_ABI "")
-endif()
-
-set( PYTHON_LIBRARY "${PYTHON_PREFIX}/lib/libpython${PY_VER}${PY_ABI}.dylib" CACHE FILEPATH "PYTHON_LIBRARY" FORCE )
-set( PYTHON_INCLUDE_DIR "${PYTHON_PREFIX}/include/python${PY_VER}${PY_ABI}" CACHE PATH "PYTHON_INCLUDE_DIR" FORCE )
-
find_package ( PythonLibs REQUIRED )
# If found, need to add debug library into libraries variable
if ( PYTHON_DEBUG_LIBRARIES )
set ( PYTHON_LIBRARIES optimized ${PYTHON_LIBRARIES} debug ${PYTHON_DEBUG_LIBRARIES} )
endif ()
-
# Generate a target to put a mantidpython wrapper in the appropriate directory
if ( NOT TARGET mantidpython )
if(MAKE_VATES)
diff --git a/docs/source/algorithms/AbsorptionCorrection-v1.rst b/docs/source/algorithms/AbsorptionCorrection-v1.rst
index 471c597be764b4007cc817d67d41e605c2371cc5..8a79dfef66b416f82e30cc1a3fd39f3b31f784fe 100644
--- a/docs/source/algorithms/AbsorptionCorrection-v1.rst
+++ b/docs/source/algorithms/AbsorptionCorrection-v1.rst
@@ -21,6 +21,9 @@ calculated for the centre-point of each element, and a numerical
integration is carried out using these path lengths over the volume
elements.
+The output workspace will contain the attenuation factors. To apply
+the correction you must divide your data set by the resulting factors.
+
Note that the duration of this algorithm is strongly dependent on the
element size chosen, and that too small an element size can cause the
algorithm to fail because of insufficient memory.
@@ -75,12 +78,12 @@ Usage
**Example: A simple spherical sample**
.. testcode:: ExSimpleSpere
-
+
#setup the sample shape
sphere = '''<sphere id="sample-sphere">
- <centre x="0" y="0" z="0"/>
- <radius val="0.1" />
- </sphere>'''
+ <centre x="0" y="0" z="0"/>
+ <radius val="0.1" />
+ </sphere>'''
ws = CreateSampleWorkspace("Histogram",NumBanks=1,BankPixelWidth=1)
ws = ConvertUnits(ws,"Wavelength")
@@ -90,14 +93,21 @@ Usage
#restrict the number of wavelength points to speed up the example
wsOut = AbsorptionCorrection(ws, NumberOfWavelengthPoints=5, ElementSize=3)
+ wsCorrected = ws / wsOut
print "The created workspace has one entry for each spectra: %i" % wsOut.getNumberHistograms()
+ print "Original y values: ", ws.readY(0)
+ print "Corrected y values: ", wsCorrected.readY(0)
Output:
.. testoutput:: ExSimpleSpere
The created workspace has one entry for each spectra: 1
+ Original y values: [ 5.68751434 5.68751434 15.68751434 5.68751434 5.68751434
+ 1.56242829]
+ Corrected y values: [ 818.30188422 2375.96165593 14211.52238463 9472.21381511
+ 15718.79220638 5747.16759791]
.. categories::
diff --git a/docs/source/algorithms/CalculateSlits-v1.rst b/docs/source/algorithms/CalculateSlits-v1.rst
index c5c754b7f95eedfd425586ffe816e2c709215a2c..b3fbee1dc7c6f4acffd74e2c3254247db269ab20 100644
--- a/docs/source/algorithms/CalculateSlits-v1.rst
+++ b/docs/source/algorithms/CalculateSlits-v1.rst
@@ -10,7 +10,7 @@ Description
-----------
This algorithm can be used to calculate the slit dimensions to use for
-reflectometry instruments. It is effectively the inverse of :ref:`algm-CalculateResolution`.
+reflectometry instruments. It is effectively the inverse of :ref:`algm-NRCalculateSlitResolution`.
CalculateSlits uses nothing but the input properties to calculate the output, specifically:
diff --git a/docs/source/algorithms/ConvertSpectrumAxis-v2.rst b/docs/source/algorithms/ConvertSpectrumAxis-v2.rst
index be50a6408c57fa29e0270858230e2999ac89d85c..8abcaadec53aae43ff3bf0ee9997675cbe302610 100644
--- a/docs/source/algorithms/ConvertSpectrumAxis-v2.rst
+++ b/docs/source/algorithms/ConvertSpectrumAxis-v2.rst
@@ -11,8 +11,8 @@ Description
Converts the representation of the vertical axis (the one up the side of
a matrix in MantidPlot) of a Workspace2D from its default of holding the
-spectrum number to the target unit given - theta, elastic Q and elastic
-Q^2.
+spectrum number to the target unit given - theta, elastic Q, elastic
+Q^2 or elastic d-spacing.
The spectra will be reordered in increasing order by default, however this can be disbled by `OrderAxis=False`.
In the case of the latter, spectra will preserve correspondence to the original workspace.
diff --git a/docs/source/algorithms/DetectorEfficiencyCorUser-v1.rst b/docs/source/algorithms/DetectorEfficiencyCorUser-v1.rst
index c28ba24ddebd75a3af6860801faff47a71ca08da..38da80b091eaa98c6adb57b803aa71b7d04edeb4 100644
--- a/docs/source/algorithms/DetectorEfficiencyCorUser-v1.rst
+++ b/docs/source/algorithms/DetectorEfficiencyCorUser-v1.rst
@@ -13,7 +13,13 @@ This algorithm will correct detector efficiency according to the ILL INX
program for time-of-flight data reduction.
A formula named "formula\_eff" must be defined in the instrument
-parameters file. The input workspace must be in DeltaE units.
+parameters file and linked to all detectors in the input workspace. Different
+components can have different formulas. The formula for each detector is
+searched recursively. Thus, there can be, for example, a global formula for the
+entire instrument and a specific formula for a bank or tube overriding the
+global one.
+
+The input workspace must be in DeltaE units.
The output data will be corrected as:
@@ -33,10 +39,9 @@ the formula used by this algorithm
is provided by instrument scientist and is adjusted for the instrument,
accounting for a number of additional instrument specific factors.
-
As example, for `TOFTOF <http://www.mlz-garching.de/toftof>`_ instrument, the energy-dependent intensity
loss factor accounts also for absorption of neutrons by the Ar gas in the flight chamber, Al windows
-of sample environment etc..
+of sample environment etc.
The formula used by DetectorEfficiencyCorUser algorithm is derived for TOFTOF in paper of
T. Unruh, 2007, doi:10.1016/j.nima.2007.07.015 and is set up in the TOFTOF instrument parameters file.
diff --git a/docs/source/algorithms/DirectILLApplySelfShielding-v1.rst b/docs/source/algorithms/DirectILLApplySelfShielding-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..2db0d942e6fbdc95d0986a0a76492c6468014536
--- /dev/null
+++ b/docs/source/algorithms/DirectILLApplySelfShielding-v1.rst
@@ -0,0 +1,133 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm subtracts empty container data and applies self-shielding corrections to *InputWorkspace*. Both operations are optional: what is actually done depends on the input properties.
+
+This algorithm is part of :ref:`ILL's direct geometry data reduction algorithms <DirectILL>`.
+
+*SelfShieldingCorrectionWorkspace* can be obtained from the :ref:`DirectILLSelfShielding <algm-DirectILLSelfShielding>` algorithm.
+
+Usage
+-----
+
+**Example - Absorption corrections and empty container subtraction**
+
+.. testcode:: FakeIN4Example
+
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ # Create a fake 'empty container' workspace for background subtraction.
+ ecws = Scale(
+ InputWorkspace=ws,
+ Factor=0.1
+ )
+
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally we would do this for IN4.
+ )
+
+ DirectILLCollectData(
+ InputWorkspace=ecws,
+ OutputWorkspace='preprocessed_ecws',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF'
+ )
+
+ sampleGeometry = {
+ 'Shape': 'Cylinder',
+ 'Height': 8.0,
+ 'Radius': 1.5,
+ 'Center': [0.0, 0.0, 0.0]
+ }
+ sampleMaterial = {
+ 'ChemicalFormula': 'V',
+ 'SampleNumberDensity': 0.05
+ }
+ SetSample(
+ InputWorkspace='preprocessed',
+ Geometry=sampleGeometry,
+ Material=sampleMaterial
+ )
+
+ DirectILLSelfShielding(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='absorption_corrections',
+ SimulationInstrument='Full Instrument', # IN4 is small enough.
+ NumberOfSimulatedWavelengths=10
+ )
+
+ DirectILLApplySelfShielding(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='absorptionCorrected',
+ EmptyContainerWorkspace='preprocessed_ecws',
+ SelfShieldingCorrectionWorkspace='absorption_corrections'
+ )
+
+ preprocessed = mtd['preprocessed']
+ maxY = numpy.amax(preprocessed.readY(0))
+ print('Elastic peak maximum before corrections: {:.3}'.format(maxY))
+ corrected = mtd['absorptionCorrected']
+ maxY = numpy.amax(corrected.readY(0))
+ print('After empty container subtraction and absorption corrections: {:.3}'.format(maxY))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ Elastic peak maximum before corrections: 26.7
+ After empty container subtraction and absorption corrections: 48.0
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/DirectILLCollectData-v1.rst b/docs/source/algorithms/DirectILLCollectData-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..34673867bd7ca7f3b4573bbc4b92afe0b2339ccf
--- /dev/null
+++ b/docs/source/algorithms/DirectILLCollectData-v1.rst
@@ -0,0 +1,164 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm preprocesses data for the other algorithms in :ref:`ILL's time-of-flight data reduction suite <DirectILL>`. Thus, it is usually the first algorithm to call in the reduction process. The algorithm (optionally) loads data from disk, performs some common basic data reduction steps to the raw data, and provides other workspaces, such as flat background information, which can be used in subsequent reduction steps. The workflow of the algorithm is shown in the diagram below:
+
+.. diagram:: DirectILLCollectData-v1_wkflw.dot
+
+Input data
+##########
+
+Either *Run* or *InputWorkspace* has to be specified. *Run* can take multiple run numbers. In this case the files will be merged using the :ref:`MergeRuns <algm-MergeRuns>` algorihtm. For example, `'/data/0100:0103,0200:0202'` would merge runs 100, 101, 102, 103, 200, 201 and 202 from directory `/data/`.
+
+Basic reduction steps
+#####################
+
+Some basic reduction steps are done to the input data.
+
+#. Separate monitor and detector spectra to different workspaces.
+#. Optionally normalise the detector specta to monitor counts or acquisition time.
+#. Subtract time-independent background from the detector spectra.
+#. Optionally find the elastic peak positions.
+#. Optionally calibrate the incident energy.
+#. Adjust the TOF axis so that the elastic time-of-flight corresponds to the L1+L2 distances.
+#. Find elastic peak positions again, if *OutputEPPWorkspace* is requested.
+
+More detailed description of some of these steps is given below.
+
+.. note::
+ The initial time-of-flight axis of ILL's spectrometers has an arbitrary starting point. Therefore, the TOF values in the intermediate workspaces do not correspond to any physical flight distances until they are corrected at step 6.
+
+Normalisation to monitor
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+If *Normalisation* is set to 'Normalisation Monitor', the monitor spectrum specified by the 'default-incident-monitor-spectrum' instrument parameter is used for normalisation. If the parameter is not present, the *Monitor* property is used. A flat background is subtracted from the spectrum (no scaling applied), and it is integrated over the range specified by *ElasticPeakWidthInSigmas*. The monitor peak is found using :ref:`FindEPP <algm-FindEPP>`. If :ref:`FindEPP <algm-FindEPP>` fails to find a peak in the monitor spectrum, the entire monitor range is integrated.
+
+Afterwards, the counts are scaled by a factor defined by the 'scaling_after_monitor_normalisation' entry in instrument parameters, if present.
+
+Flat background subtraction
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+A flat time-independent background for subtraction can be given by *FlatBkgWorkspace*. If this input property is not specified, flat background will be calculated from the detector spectra by (:ref:`CalculateFlatBackground <algm-CalculateFlatBackground>`) using the 'Moving Average' mode. The *FlatBkgAveragingWindow* property is passed directly to (:ref:`CalculateFlatBackground <algm-CalculateFlatBackground>`) as *AveragingWindowWidth*.
+
+Before subtraction, the background workspace is multiplied by *FlatBkgScaling*.
+
+The background used for the subtraction can be retrieved using the *OutputFlatBkgWorkspace* property. This property holds either the same workspace as *FlatBkgWorkspace*, or a workspace created by :ref:`CalculateFlatBackground <algm-CalculateFlatBackground>`. Note that no *FlatBkgScaling* is applied to this workspace.
+
+Elastic peak positions (EPP)
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+Information on the elastic peaks (position, peak width) is needed for incident energy calibration, as well as for the :ref:`DirectILLDiagnostics <algm-DirectILLDiagnostics>` and :ref:`DirectILLIntegrateVanadium <algm-DirectILLIntegrateVanadium>` algorithms. This data comes in the form of a EPP workspace which is a TableWorkspace containing columns specified by the :ref:`FindEPP <algm-FindEPP>` algorithm.
+
+If no external EPP table is given by the *EPPWorkspace* property, the algorithm either fits the elastic peaks using :ref:`FindEPP <algm-FindEPP>`, or calculates their nominal positions using :ref:`CreateEPP <algm-CreateEPP>`. This behavior can be controlled by the *EPPCreationMode* property. The default ('EPP Method AUTO') is to calculate the positions for the IN5 instrument, and to fit for any other instrument.
+
+In the calculation case, a nominal peak width can be given using the *Sigma* property. The peak width is needed for some integration operations. If *Sigma* is not specified, ten times the first bin width in the workspace will be used.
+
+Incident energy calibration
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+This step applies to IN4 and IN6 only. Incident energy calibration is disabled for IN5 by default.
+
+Incident energy is calibrated either by giving a new energy as a single-value workspace in *IncidentEnergyWorkspace* or calculating it from the elastic peak positions. The elastic peak position can be given by *EPPWorkspace*. If this parameter not specified, :ref:`FindEPP <algm-FindEPP>` is used.
+
+The calibrated energy can be retrieved as a single-value workspace using the *OutputIncidentEnergyWorkspace* property.
+
+TOF axis adjustment
+^^^^^^^^^^^^^^^^^^^
+
+The TOF axis is adjusted according to the elastic channel number found in the 'Detector.elasticpeak' sample log.
+
+Optional inputs and outputs
+###########################
+
+The algorithm has some optional input and output workspaces. Their purpose is to extract some common information from a single data set and use it as input for other algorithms or data sets. An example would be backgrounds extracted from a low temperature measurement which can be used when reducing data taken at higher temperatures.
+
+The optional input and output workspaces come in pairs. If the input workspace is specified, it will be used in the reduction and returned as the corresponding output workspace. If the input workspace is not specified, the needed information is calculated from the current spectra, and returned in the output workspace.
+
+* *EPPWorkspace* --- *OutputEPPWorkspace*: elastic peak position table, used for incident energy calibration, but also in :ref:`DirectILLDiagnostics <algm-DirectILLDiagnostics>` and :ref:`DirectILLIntegrateVanadium <algm-DirectILLIntegrateVanadium>`.
+* *IncidentEnergyWorkspace* --- *OutputIncidentEnergyWorkspace*: single-valued workspace containing calibrated incident energy, used for incident energy calibration.
+* *FlatBkgWorkspace* --- *OutputFlatBkgWorkspace*: a MatrixWorkspace containing the flat backgrounds. Used for flat background subtraction. Note that *FlatBkgScaling* is not applied to *OutputFlatBkgWorkspace*.
+
+Raw output workspace
+^^^^^^^^^^^^^^^^^^^^
+
+The *OutputRawWorkspace* property provides an access to a 'raw' data workspace in the sense that no normalisation or background subtraction is applied to this workspace. The raw workspace is useful as an input workspace for the :ref:`DirectILLDiagnostics <algm-DirectILLDiagnostics>` algorithm.
+
+Usage
+-----
+
+**Example - Fake IN4 workspace as input**
+
+.. testcode:: FakeIN4Example
+
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally we would enable this for IN4.
+ )
+
+ # Notably, the TOF axis got adjusted in DirectILLCollectData
+ preprocessedWS = mtd['preprocessed']
+ print('TOF offset without corrections: {:.4} microseconds'.format(ws.readX(0)[0]))
+ print('Corrected TOF offset: {:.4} microseconds'.format(preprocessedWS.readX(0)[0]))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ TOF offset without corrections: 530.0 microseconds
+ Corrected TOF offset: 380.1 microseconds
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/DirectILLDiagnostics-v1.rst b/docs/source/algorithms/DirectILLDiagnostics-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..a1c73dfcd34c5bb96a9e7a02827078fcce7898c5
--- /dev/null
+++ b/docs/source/algorithms/DirectILLDiagnostics-v1.rst
@@ -0,0 +1,170 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm performs detector diagnostics and masking. It is part of :ref:`ILL's direct geometry data reduction suite <DirectILL>`. The diagnostics are calculated using the counts from *InputWorkspace* which is preferably the raw workspace provided by the *OutputRawWorkspace* property of :ref:`DirectILLCollectData <algm-DirectILLCollectData>`. The output is a special mask workspace which can be further fed to :ref:`DirectILLReduction <algm-DirectILLReduction>` to mask the detectors diagnosed as bad. Optionally, an instrument specific default mask, a beam stop mask and/or a user specified hard mask given by *MaskedDetectors* or *MaskedComponents* can be added to the diagnostics mask.
+
+A workflow diagram for the diagnostics is shown below:
+
+.. diagram:: DirectILLDiagnostics-v1_wkflw.dot
+
+Diagnostics performed
+#####################
+
+The algorithm performs two tests for each spectrum in *InputWorkspace*: elastic peak diagnostics and flat background diagnostics. Basically both tests calculate the median of the test values over all spectra, then compare the individual values to the median. For more detailed information, see :ref:`MedianDetectorTest <algm-MedianDetectorTest>`.
+
+Elastic peak diagnostics
+^^^^^^^^^^^^^^^^^^^^^^^^
+
+The EPP table given in *EPPWorkspace* and the value of *ElasticPeakWidthInSigmas* are used to integrate the spectra around the elastic peaks, giving the elastic intensities. The intensities are further normalised by the opening solid angles of the detectors, given by :ref:`SolidAngle <algm-SolidAngle>` before the actual diagnostics.
+
+Flat background diagnostics
+^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+Similarly to elastic peak diagnostics, *EPPWorkspace* and *NonBgkRegionInSigmas* are used to integrate the time-independent background regions of *InputWorkspace*. *NonBkgRegionInSigmas* is a factor applied to the 'Sigma' column in *EPPWorkspace* and this interval around the elastic peak positions is excluded from the integration. No opening angle corrections are applied to the background diagnostics.
+
+Beam stop
+#########
+
+The shadow cast on the detectors by a beam stop can be masked by the diagnostics, as well. This functionality is automatically enabled when 'beam_stop_diagnostics_spectra' instrument parameter is defined and can be disabled by *BeamStopDiagnostics*. The algorithm tries to mask a continuous region within the spectra listed in 'beam_stop_diagnostics_spectra'. The *BeamStopThreshold* property can be used to fine-tune the operation.
+
+The 'beam_stop_diagnostics_spectra' instrument parameter lists ranges of spectrum numbers. Each range should cover a region of a physical detector tube, part of which is behind the beam stop.
+
+The masking procedure proceeds as follows:
+
+#. Pick a range from 'beam_stop_diagnostics_spectra'.
+#. Integrate the spectra within the range.
+#. Divide the range into two halves from the middle.
+#. Pick one of the halves, take the maximum integrated value.
+#. Starting from the spectrum containing the maximum value, and stepping towards the center of the range, find the first spectrum where the integrated intensity is less than the maximum intensity multiplied by *BeamStopThreshold*. Lets call this the threshold spectrum.
+#. Mark all spectra from the middle of the range to the threshold spectrum as masked.
+#. Repeat for the other half.
+
+Defaul mask
+###########
+
+The default mask file is defined by the 'Workflow.MaskFile' instrument parameter.
+
+Diagnostics reporting
+#####################
+
+The optional *OutputReportWorkspace* property returns a table workspace summarizing the diagnostics. The table has six columns:
+
+#. 'WorkspaceIndex'
+#. 'UserMask': Holds non-zero values for spectra masked by the default mask, *MaskedDetectors* and *MaskedComponents*.
+#. 'ElasticIntensity': Holds the value of integrated elastic peaks used for the diagnostics.
+#. 'IntensityDiagnosed': Holds non-zero values for spectra diagnosed as 'bad' in elastic peak diagnostics.
+#. 'FlagBkg': Holds the value of the flat backgrounds used for the diagnostics.
+#. 'FlatBkgDiagnosed': Non-zero values in this column indicate that the spectrum did not pass the background diagnostics.
+
+The columns can be plotted to get an overview of the diagnostics.
+
+Additionally, a string listing the masked and diagnosed detectors can be accessed via the *OutputReport* property.
+
+Usage
+-----
+
+**Example - Diagnostics on fake IN4 workspace**
+
+.. testcode:: FakeIN4Example
+
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Set some histograms to zero to see if the diagnostics can catch them.
+ ys = ws.dataY(13)
+ ys *= 0.0
+ ys = ws.dataY(101)
+ ys *= 0.0
+
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally we would do this for IN4.
+ OutputEPPWorkspace='epps' # Needed for the diagnostics.
+ )
+
+ diagnostics = DirectILLDiagnostics(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='diagnosed',
+ EPPWorkspace='epps',
+ NoisyBkgLowThreshold=0.01,
+ OutputReportWorkspace='diagnostics_report'
+ )
+
+ print(diagnostics.OutputReport)
+ print('Some small-angle detectors got diagnosed as bad due to detector solid angle corrections.')
+ report = mtd['diagnostics_report']
+ I0 = report.cell('ElasticIntensity', 0)
+ I304 = report.cell('ElasticIntensity', 303)
+ print('Solid-angle corrected elastic intensity of spectrum 1: {:.8}'.format(I0))
+ print('vs. corrected intensity of spectrum 304: {:.8}'.format(I304))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ Spectra masked by default mask file:
+ None
+ Spectra masked by user:
+ None
+ Spectra masked by beam stop diagnostics:
+ None
+ Spectra marked as bad by elastic peak diagnostics:
+ 14, 102, 302-305, 314-317, 326-329, 338-341, 350-353, 362-365, 374-377, 386-389
+ Spectra marked as bad by flat background diagnostics:
+ 14, 102
+ Some small-angle detectors got diagnosed as bad due to detector solid angle corrections.
+ Solid-angle corrected elastic intensity of spectrum 1: 555524.7
+ vs. corrected intensity of spectrum 304: 1795774.9
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/DirectILLIntegrateVanadium-v1.rst b/docs/source/algorithms/DirectILLIntegrateVanadium-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..b96cba3937ddf1acc3c88ca473fd1f018d3d014a
--- /dev/null
+++ b/docs/source/algorithms/DirectILLIntegrateVanadium-v1.rst
@@ -0,0 +1,106 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm integrates the workspace given in *InputWorkspace* using the :ref:`ComputeCalibrationCoefVan <algm-ComputeCalibrationCoefVan>` algorithm. It is part of :ref:`ILL's direct geometry reduction algorithms <DirectILL>`.
+
+.. note::
+ At the moment, the integration range is fixed to :math:`\pm` 3 * FWHM (:math:`2\sqrt{2 \ln 2}`) times the 'Sigma' column in *EPPWorkspace*).
+
+Input workspaces
+################
+
+The *InputWorkspace* should be loaded using the :ref:`DirectILLCollectData <algm-DirectILLCollectData>` algorithm. It will also give the EPP workspace needed for *EPPWorkspace*.
+
+Vanadium temperature
+####################
+
+A correction for the Debye-Waller factor is applied to the integrated vanadium, as explained in the documentation of :ref:`ComputeCalibrationCoefVan <algm-ComputeCalibrationCoefVan>`. The temperature for the DWF calculation is taken from the 'Sample.temperature' sample log of the *InputWorkspace*. This value can be overriden by the *Temperature* property, if needed.
+
+Usage
+-----
+
+**Example - Integrating fake IN4 workspace**
+
+.. testcode:: FakeIN4Example
+
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ # Prepare the workspace for integration.
+ # We also need the elastic peak position table (EPP).
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally enabled for IN4.
+ OutputEPPWorkspace='epps'
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='norm-factors',
+ EPPWorkspace='epps',
+ DebyeWallerCorrection='Correction OFF',
+ Temperature=293
+ )
+
+ norms = mtd['norm-factors']
+ print('Integrated vanadium contains {} bin in each of {} histograms.'
+ .format(norms.blocksize(), norms.getNumberHistograms()))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ Integrated vanadium contains 1 bin in each of 396 histograms.
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/DirectILLReduction-v1.rst b/docs/source/algorithms/DirectILLReduction-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..fbb2ea4d6be244cf5b39a375d6e913a4f67ce5c8
--- /dev/null
+++ b/docs/source/algorithms/DirectILLReduction-v1.rst
@@ -0,0 +1,178 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This is the main data reduction algorithm in :ref:`ILL's time-of-flight reduction suite <DirectILL>`. It performs the last steps of the reduction workflow, namely vanadium normalisation and transformation to :math:`S(q,\omega)` space (optionally :math:`S(2\theta,\omega)`). The algorithm's workflow diagram is shown below:
+
+.. diagram:: DirectILLReduction-v1_wkflw.dot
+
+Input workspaces
+################
+
+*InputWorkspace* should contain data treated by :ref:`DirectILLCollectData <algm-DirectILLCollectData>` and, optionally, by :ref:`DirectILLApplySelfShielding <algm-DirectILLApplySelfShielding>`.
+
+The mandatory *IntegratedVanadiumWorkspace* should have gone through :ref:`DirectILLIntegrateVanadium <algm-DirectILLIntegrateVanadium>`. This workspace is used for the vanadium normalisation.
+
+*DiagnosticsWorkspace* should be a product of :ref:`DirectILLDiagnostics <algm-DirectILLDiagnostics>`. It is used to mask the spectra of *InputWorkspace*.
+
+Outputs
+#######
+
+The algorithm will transform the time-of-flight and spectrum numbers of *InputWorkspace* into :math:`S(q,\omega)` at its output. For :math:`2\theta` to :math:`q` transformation, :ref:`SofQWNormalisedPolygon <algm-SofQWNormalisedPolygon>` is used. By default, the output is transposed by :ref:`Transpose <algm-Transpose>`. This behavior can be turned off by the *Transpose* property.
+
+The optional :math:`S(2\theta,\omega)` output can be enabled by the *OutputSofThetaEnergyWorkspace*.
+
+Normalisation to absolute units
+###############################
+
+Normalisation to absolute units can be enabled by setting *AbsoluteUnitsNormalisation* to 'Absolute Units ON'. In this case the data is scaled by a factor
+
+ :math:`f = \frac{N_V \sigma_V}{N_S}`
+
+after normalisation to vanadium. In the above, :math:`N_V` stands for the vanadium number density, :math:`\sigma_V` for vanadium total scattering cross section and :math:`N_S` sample number density.
+
+The material properties should be set for *InputWorkspace* and *IntegratedVanadiumWorkspace* by :ref:`SetSample <algm-SetSample>` before running this algorithm .
+
+(Re)binning in energy and momentum transfer
+###########################################
+
+After conversion from time-of-flight to energy transfer, the binning may differ from spectrum to spectrum if the sample to detector distances are unequal. The :ref:`SofQWNormalisedPolygon <algm-SofQWNormalisedPolygon>` algorithm cannot work with such ragged workspaces and thus rebinning is necessary. The rebinning can be specified by the *EnergyRebinningParams* property. This is directly passed to :ref:`Rebin <algm-Rebin>` as the *Params* property. If *EnergyRebinningParams* is not specified, an automatic rebinning scheme is used:
+- Find the spectrum with smallest bin border. Copy binning from this spectrum for negative energy transfers.
+- For positive energy transfers, use the median bin width at zero energy transfer.
+
+*QBinningParams* are passed to :ref:`SofQWNormalisedPolygon <algm-SofQWNormalisedPolygon>` and have the same format as *EnergyRebinningParamas*. If the property is not specified, :math:`q` is binned to ten times the median :math:`2\theta` steps between the spectra.
+
+Usage
+-----
+
+**Example - Fake IN4 workspace reduction**
+
+.. testcode:: FakeIN4Example
+
+ from mantid.kernel import DeltaEModeType, UnitConversion
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Set some histograms to zero for detector diagnostics.
+ ys = ws.dataY(13)
+ ys *= 0.0
+ ys = ws.dataY(101)
+ ys *= 0.0
+
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Add wavelength to sample logs
+ wl = UnitConversion.run('Energy', 'Wavelength', 57.0, 0.0, 0.0, 0.0, DeltaEModeType.Direct, 0.0)
+ AddSampleLog(
+ Workspace=ws,
+ LogName='wavelength',
+ LogText=str(wl),
+ LogType='Number',
+ LogUnit='Angstrom',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ # Create a fake 'vanadium' reference workspace.
+ V_ws = Scale(
+ InputWorkspace=ws,
+ Factor=1.3
+ )
+
+ # Process vanadium.
+ DirectILLCollectData(
+ InputWorkspace=V_ws,
+ OutputWorkspace='vanadium',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally we would do this for IN4.
+ OutputEPPWorkspace='epps' # Needed for diagnostics and integration.
+ )
+
+ DirectILLDiagnostics(
+ InputWorkspace='vanadium',
+ OutputWorkspace='diagnostics_mask',
+ EPPWorkspace='epps',
+ MaskedComponents='rosace', #Exclude small-angle detectors.
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='vanadium',
+ OutputWorkspace='vanadium_factors',
+ SubalgorithmLogging='Logging ON',
+ EPPWorkspace='epps',
+ Temperature=273.0
+ )
+
+ # Process sample.
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF'
+ )
+
+ # Absorption corrections and empty container subtractions could be added here.
+
+ DirectILLReduction(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='SofQW',
+ IntegratedVanadiumWorkspace='vanadium_factors',
+ DiagnosticsWorkspace='diagnostics_mask'
+ )
+
+ sofqw = mtd['SofQW']
+ nHist = sofqw.getNumberHistograms()
+ nBin = sofqw.blocksize()
+ print('Size of the final S(q,w) workspace: {} histograms, {} bins'.format(nHist, nBin))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ Size of the final S(q,w) workspace: 177 histograms, 234 bins
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/DirectILLSelfShielding-v1.rst b/docs/source/algorithms/DirectILLSelfShielding-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..6fe5566b416aa1b8434e5a72c1e2c16c1e147721
--- /dev/null
+++ b/docs/source/algorithms/DirectILLSelfShielding-v1.rst
@@ -0,0 +1,116 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm calculates self shielding correction factors for the input workspace. It is part of :ref:`ILL's direct geometry reduction suite <DirectILL>`. *InputWorkspace* should have a sample defined using :ref:`SetSample <algm-SetSample>`. Beam profile can be optionally set using :ref:`SetBeam <algm-SetBeam>`. The algorithm uses :ref:`MonteCarloAbsorption <algm-MonteCarloAbsorption>` as its backend.
+
+To speed up the simulation, the sparse instrument option of :ref:`MonteCarloAbsorption <algm-MonteCarloAbsorption>` is used by default. The number of detectors to simulate can be given by *SparseInstrumentRows* and *SparseInstrumentColumns*.
+
+By default the correction factors are calculated for each bin. By specifying *NumberOfSimulatedWavelengths*, one can restrict the number of points at which the calculation is done thus reducing the execution time. In this case CSplines are used to interpolate the correction factor over all bins.
+
+The correction factor contained within the *OutputWorkspace* can be further fed to :ref:`DirectILLApplySelfShielding <algm-DirectILLApplySelfShielding>`.
+
+Usage
+-----
+
+**Example - Absorption corrections of fake IN4 workspace**
+
+.. testcode:: FakeIN4Example
+
+ import numpy
+ import scipy.stats
+
+ # Create a fake IN4 workspace.
+ # We need an instrument and a template first.
+ empty_IN4 = LoadEmptyInstrument(InstrumentName='IN4')
+ nHist = empty_IN4.getNumberHistograms()
+ # Make TOF bin edges.
+ xs = numpy.arange(530.0, 2420.0, 4.0)
+ # Make some Gaussian spectra.
+ ys = 1000.0 * scipy.stats.norm.pdf(xs[:-1], loc=970, scale=60)
+ # Repeat data for each histogram.
+ xs = numpy.tile(xs, nHist)
+ ys = numpy.tile(ys, nHist)
+ ws = CreateWorkspace(
+ DataX=xs,
+ DataY=ys,
+ NSpec=nHist,
+ UnitX='TOF',
+ ParentWorkspace=empty_IN4
+ )
+ # Manually correct monitor spectrum number as LoadEmptyInstrument does
+ # not know about such details.
+ SetInstrumentParameter(
+ Workspace=ws,
+ ParameterName='default-incident-monitor-spectrum',
+ ParameterType='Number',
+ Value=str(1)
+ )
+ # Add incident energy information to sample logs.
+ AddSampleLog(
+ Workspace=ws,
+ LogName='Ei',
+ LogText=str(57),
+ LogType='Number',
+ LogUnit='meV',
+ NumberType='Double'
+ )
+ # Elastic channel information is missing in the sample logs.
+ # It can be given as single valued workspace, as well.
+ elasticChannelWS = CreateSingleValuedWorkspace(107)
+
+ DirectILLCollectData(
+ InputWorkspace=ws,
+ OutputWorkspace='preprocessed',
+ ElasticChannelWorkspace=elasticChannelWS,
+ IncidentEnergyCalibration='Energy Calibration OFF', # Normally we would do this for IN4.
+ )
+
+ sampleGeometry = {
+ 'Shape': 'Cylinder',
+ 'Height': 8.0,
+ 'Radius': 1.5,
+ 'Center': [0.0, 0.0, 0.0]
+ }
+ sampleMaterial = {
+ 'ChemicalFormula': 'V',
+ 'SampleNumberDensity': 0.05
+ }
+ SetSample(
+ InputWorkspace='preprocessed',
+ Geometry=sampleGeometry,
+ Material=sampleMaterial
+ )
+
+ DirectILLSelfShielding(
+ InputWorkspace='preprocessed',
+ OutputWorkspace='absorption_corrections',
+ SimulationInstrument='Full Instrument', # IN4 is small enough.
+ NumberOfSimulatedWavelengths=10
+ )
+ # The correction factors should be applied using DirectILLApplySelfShielding.
+ corrections = mtd['absorption_corrections']
+ f_short = corrections.readY(0)[0]
+ f_long = corrections.readY(0)[-1]
+ print('Absoprtion corrections factors for detector 1')
+ print('Short final wavelengths: {:.4f}'.format(f_short))
+ print('Long final wavelengths: {:.4f}'.format(f_long))
+
+Output:
+
+.. testoutput:: FakeIN4Example
+
+ Absoprtion corrections factors for detector 1
+ Short final wavelengths: 0.4047
+ Long final wavelengths: 0.2267
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/IntegrateEPP-v1.rst b/docs/source/algorithms/IntegrateEPP-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..ec821f4b43c482a0d386f6e19dc1bef21a6170c9
--- /dev/null
+++ b/docs/source/algorithms/IntegrateEPP-v1.rst
@@ -0,0 +1,47 @@
+
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+This algorithm integrates a workspace around the peak positions given in an elastic peak position (EPP) table. The integration is done using the :ref:`algm-Integration` algorithm. *EPPWorkspace* should be a table workspace in the format returned by :ref:`algm-FindEPP`. The integration limits for workspace index :math:`i` in *InputWorkspace* are given by
+
+ :math:`d_i = c_i \pm w \sigma_i`,
+
+where :math:`-` is for the lower and :math:`+` for the upper limit, :math:`c_i` the value from the 'PeakCentre' column, :math:`w` the *HalfWidthInSigmas* property and :math:`\sigma_i` the value from the 'Sigma' column.
+
+If a workspace index is missing from *EPPWorkspace*, the integration limits will be set to zero.
+
+Usage
+-----
+**Example - IntegrateEPP**
+
+.. testcode:: IntegrateEPPExample
+
+ gaussian = 'name=Gaussian, PeakCentre=7000, Height=230, Sigma=680'
+ ws = CreateSampleWorkspace('Histogram', 'User Defined', gaussian)
+
+ epps = FindEPP(ws)
+
+ integrated = IntegrateEPP(ws, epps, 3)
+
+ xs = integrated.readX(0)
+ ys = integrated.readY(0)
+ print('Integral from {} to {} yields {:.5}'.format(xs[0], xs[1], ys[0]))
+
+Output:
+
+.. testoutput:: IntegrateEPPExample
+
+ Integral from 5060.0 to 9140.0 yields 1954.6
+
+.. categories::
+
+.. sourcelink::
+
diff --git a/docs/source/algorithms/LoadILLReflectometry-v1.rst b/docs/source/algorithms/LoadILLReflectometry-v1.rst
index 18b662290e935bec4181f684d0cb6872310661dd..89cf9d7722069fa65e23c1c93f2f11ac34022f05 100644
--- a/docs/source/algorithms/LoadILLReflectometry-v1.rst
+++ b/docs/source/algorithms/LoadILLReflectometry-v1.rst
@@ -9,29 +9,231 @@
Description
-----------
-Loads an ILL Reflectometry instrument NeXus file into a `Workspace2D <http://www.mantidproject.org/Workspace2D>`_ with
-the given name.
+Loads data of a Nexus file obtained from an ILL reflectometry instrument `D17 <https://www.ill.eu/instruments-support/instruments-groups/instruments/d17/description/instrument-layout/>`_ or `Figaro <https://www.ill.eu/instruments-support/instruments-groups/instruments/figaro/description/instrument-layout/>`_ into a `Workspace2D <http://www.mantidproject.org/Workspace2D>`_. Both time-of-flight and monochromatic instrument configurations are supported. In general, this loader reads detector and monitor counts and adds x-axis and error values. The output workspace contains histogram data. The x-axis can have units in time-of-flight or wavelength with non-varying and varying bins, respectively. The conversion to wavelength uses the algorithm :ref:`algm-ConvertUnits`.
+The sample logs associated to the output workspace contain two additional entries, :literal:`Facility` and :literal:`stheta` (unit radian). While :literal:`Facility` is the ILL, the variable :literal:`stheta` is the computed Bragg angle and can serve directly as input for the algorithm :ref:`algm-ConvertToReflectometryQ` if desired.
-This loader reads the detector position from the NeXus file and places it at the right position.
-It supports both TOF and non TOF modes.
+Time of flight axis
+-------------------
+
+The chopper values are used for computing the time-of-flight values for the bin edges :math:`x_i` by the following equation:
+
+.. math:: x_{i} = \left( i + 0.5 \right) w_{\mathrm{channel}} + \Delta_{t, \mathrm{tof}} - 60^{\circ} \cdot \frac{ p_{\mathrm{off}} - 45^{\circ} + \Omega_{c2} - \Omega_{c1} + \Delta_{\mathrm{open}} }{ 2 \cdot 360^{\circ} \cdot v_{c1} } \cdot 10^{6},
+
+with the following variables: channel width :math:`w_{\mathrm{channel}}`, time-of-flight delay :math:`\Delta_{t, \mathrm{tof}}`, offset :math:`p_{\mathrm{off}}`, phase of second chopper :math:`\Omega_{c2}`, phase of first chopper :math:`\Omega_{c1}`, open offset :math:`\Delta_{\mathrm{open}}` and velocity of first chopper :math:`v_{c1}`.
+
+Detector position
+-----------------
+
+This loader will update the detector position from what is defined in the instrument definition files. The detector will be moved to the current sample-detector distance and rotated around the origin either on the horizontal or vertical plane.
+
+The rotation angle can be one of the following:
+
+* The detector angle in the sample logs. This is the default behavior if :literal:`BraggAngle` and :literal:`BeamPosition` are not given.
+
+* User-specified angle given by the :literal:`BraggAngle` input property. This option will always take precedence over other options.
+
+* A calibrated detector angle. The calibration is done using a direct beam measurement. This option is triggered when the :literal:`BeamPosition` property is specified.
+
+For the direct beam calibration, a direct beam file should be loaded separately and the :literal:`OutputBeamPosition` output property used to obtain a special :ref:`TableWorkspace <Table Workspaces>` containing information on the direct beam position. This workspace can be further given as the :literal:`BeamPosition` input to proceeding loads as exemplified in the following:
+
+.. code-block:: python
+
+ LoadILLReflectometry('directbeam.nxs', OutputWorkspace='direct_beam_ws', OutputBeamPosition='beam_position_ws')
+ LoadILLReflectometry('sample1.nxs', OutputWorkspace='sample1_ws', BeamPosition='beam_position_ws')
+ LoadILLReflectometry('sample2.nxs', OutputWorkspace='sample2_ws', BeamPosition='beam_position_ws')
+ # ...
+
+Direct beam calibration
+#######################
+
+The detector position calibration requires peak position fitting for both the direct and reflected beam data. Basically, the data is integrated using :ref:`algm-Integration`, transposed using :ref:`algm-Transpose` and a :ref:`func-Gaussian` is fitted by :ref:`algm-Fit`. The fitted peak position gives the angle between the centre of the detector and the direct or reflected beam:
+
+.. math::
+ \Delta = \tan^{-1} \frac{(i_{centre} - i_{fit}) d_{pix}}{l_{2}},
+
+where :math:`i_{centre}` is the workspace index of the detector centre (127.5 for D17 and Figaro), :math:`i_{fit}` the fitted peak position, :math:`d_{pix}` the physical pixel width and :math:`l_{2}` the sample to detector centre distance.
+
+The calibrated detector angle is then given by
+
+.. math::
+ \alpha = \alpha_{R} - \alpha_{D} - 2 \Delta_{D} + \Delta_{R},
+
+where :math:`\alpha` denotes the detector angles while the subscript :math:`R` refers to the reflected beam and :math:`D` to the direct beam.
+
+Source position
+---------------
+
+In the case of D17, this loader will move the source position ('chopper1' in the instrument definition file) on the z-axis to the position
+
+.. math::
+ z_{source} = -d_{ch} + \frac{1}{2} \delta_{ch},
+
+where :math:`d_{ch}` is the :literal:`VirtualChopper.dist_chop_samp` sample log entry and :math:`\delta_{ch}` the :literal:`Distance.ChopperGap` entry.
+
+Description of Nexus file and corresponding workspace SampleLog entries
+-----------------------------------------------------------------------
+
+The following table summarizes the Nexus file entries partially required by the loader: the choice of the chopper is Chopper or VirtualChopper for D17 and two choppers are selected out of four existing choppers for Figaro.
+
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| Nexus entry | D17 | Figaro | Description | Unit |
++===================+=======================================+=============================+====================================================+=============+
+| acquisition_mode | | | If time of flight mode or not | \- |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| data | PSD_data | PSD_data | | \- |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| instrument | Chopper1/phase | CH1/phase | chopper phase | degree |
+| + + + + +
+| | Chopper1/rotation_speed | CH1/rotation_speed | chopper speed | rpm |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | Chopper2/phase | CH2/phase | | degree |
+| + + + + +
+| | Chopper2/rotation_speed | CH2/rotation_speed | | rpm |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | | CH3/phase | | degree |
+| + + + + +
+| | | CH3/rotation_speed | | rpm |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | | CH4/phase | | degree |
+| + + + + +
+| | | CH4/rotation_speed | | rpm |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | | ChopperSetting/firstChopper | Number of selected first chopper | \- |
+| + + + + +
+| | | ChopperSetting/secondChopper| Number of selected second chopper | \- |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | VirtualChopper/chopper1_phase_average | | | degree |
+| + + + + +
+| | VirtualChopper/chopper1_speed_average | | | rpm |
+| + + + + +
+| | VirtualChopper/chopper2_phase_average | | | degree |
+| + + + + +
+| | VirtualChopper/chopper2_speed_average | | | rpm |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | VirtualChopper/open_offset | CollAngle/openOffset | | degree |
+| + + + + +
+| | VirtualChopper/poff | CollAngle/poff | | degree |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | det/offset_value | DTR/offset_value | detector distance offset | millimeter |
+| + + + + +
+| | det/value | DTR/value | detector distance value | millimeter |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | PSD/detsize | PSD/detsize | detector size | \- |
+| + + + + +
+| | PSD/detsum | PSD/detsum | sum of detector counts | \- |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | PSD/mmpx | PSD/mmpy | pixel width | millimeter |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | PSD/time_of_flight_0 | PSD/time_of_flight_0 | channel width | microseconds|
+| + + + + +
+| | PSD/time_of_flight_1 | PSD/time_of_flight_1 | number of channels | \- |
+| + + + + +
+| | PSD/time_of_flight_2 | PSD/time_of_flight_2 | time-of-flight delay | microseconds|
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | dan/value | VirtualAxis/DAN_actual_angle| detector angle | degree |
+| +---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| | san/value | CollAngle/actual_coll_angle | sample angle | degree |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| monitor1 | data | data | | \- |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| monitor2 | data | data | | \- |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
+| theta (Figaro) | | | sign determines reflection up/down | degree |
++-------------------+---------------------------------------+-----------------------------+----------------------------------------------------+-------------+
-To date this Loader only supports D17 data.
Usage
-----
-**Example - Load ILL D17 NeXus file:**
+.. include:: ../usagedata-note.txt
-.. code-block:: python
+**Example - Load ILL D17 Nexus file:**
- # Load ILL D17 data file into a workspace 2D.
- ws = Load('ILLD17_111686.nxs')
+.. testcode:: LoadDefaultOptions
- print "This workspace has", ws.getNumDims(), "dimensions and has", ws.getNumberHistograms(), "histograms."
+ # Optional: set facility and default instrument
+ config['default.facility'] = 'ILL'
+ config['default.instrument'] = 'D17'
+
+ # Load ILL D17 data file (TOF mode) into a workspace 2D using default input options:
+ ws1 = Load('ILL/D17/317370.nxs')
+
+ print("Workspace {} has {} dimensions and {} histograms.").format(ws1.name(), ws1.getNumDims(), ws1.getNumberHistograms())
Output:
-
- This workspace has 2 dimensions and has 258 histograms.
+
+.. testoutput:: LoadDefaultOptions
+
+ Workspace ws1 has 2 dimensions and 258 histograms.
+
+.. testcleanup:: LoadDefaultOptions
+
+ AnalysisDataService.Instance().clear()
+
+**Example - Specify user angle:**
+
+.. testcode:: LoadBraggAngle
+
+ import numpy
+
+ # Load ILL d17 data file (TOF mode) into a workspace 2D using a user-defined angle of 30 degrees:
+ ws2 = Load('ILL/D17/317370.nxs', BraggAngle = 5.5)
+
+ # The original detector angle can be found in the sample logs:
+ angleOrig = ws2.getRun().getProperty("dan.value").value
+
+ # The Sample Log entry stheta will be the user defined angle of 30 degrees:
+ angleBragg = ws2.getRun().getProperty("stheta").value * 180. / numpy.pi
+
+ print("The detector of workspace {} was rotated to {} degrees.").format(ws2.name(), 2. * angleBragg)
+ print("The nominal angle in the NeXus file was {:.2} degrees.".format(angleOrig))
+
+Output:
+
+.. testoutput:: LoadBraggAngle
+
+ The detector of workspace ws2 was rotated to 5.5 degrees.
+ The nominal angle in the NeXus file was 3.2 degrees.
+
+.. testcleanup:: LoadBraggAngle
+
+ AnalysisDataService.Instance().clear()
+
+**Example - Calibration of detector angle by direct beam:**
+
+.. testcode:: LoadDirectBeam
+
+ import numpy
+
+ directBeamWS = Load('ILL/D17/317369.nxs', OutputBeamPosition='beamPositionWS')
+
+ beamPosWS = mtd['beamPositionWS']
+ peakCentre = beamPosWS.cell('FittedPeakCentre', 0)
+ print('Fitted direct beam maximum (in workspace indices): {:.5}'.format(peakCentre))
+
+ reflectedBeamWS = Load('ILL/D17/317370.nxs', BeamPosition=beamPosWS)
+
+ # Lets load the data without detector angle calibration just for reference
+
+ refWS = Load('ILL/D17/317370.nxs')
+
+ detAngle = numpy.degrees(reflectedBeamWS.getRun().getProperty('stheta').value)
+ refAngle = numpy.degrees(refWS.getRun().getProperty('stheta').value)
+
+ print('Uncalibrated detector angle: {:.4} degrees.'.format(refAngle))
+ print('Detector angle after calibration using direct beam: {:.4} degrees.'.format(detAngle))
+
+Output:
+
+.. testoutput:: LoadDirectBeam
+
+ Fitted direct beam maximum (in workspace indices): 202.18
+ Uncalibrated detector angle: 1.591 degrees.
+ Detector angle after calibration using direct beam: 1.627 degrees.
+
+.. testcleanup:: LoadDirectBeam
+
+ AnalysisDataService.Instance().clear()
.. categories::
diff --git a/docs/source/algorithms/LoadSESANS-v1.rst b/docs/source/algorithms/LoadSESANS-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..757143e7bd64a1f02271bb3af2b7da27c9713b5c
--- /dev/null
+++ b/docs/source/algorithms/LoadSESANS-v1.rst
@@ -0,0 +1,57 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+Loads the given file in the SESANS text format. The file begins with a
+number of compulsory headers, the first of which must be
+'FileFormatVersion'. There are four compulsory data columns -
+SpinEchoLength, Depolarisation, Depolarisation_error and
+Wavelength. The output workspace has X values of SpinEchoLength and Y
+values of depolarisation.
+
+Usage
+-----
+
+**Example - Loading a file**
+
+.. testcode:: LoadSESANSRoundTrip
+
+ import os
+
+ # Create dummy workspace
+ dataX = [1,2,3,4,5]
+ dataY = [6,1,9,14]
+ dataE = [1,1,4,5]
+ out_ws = CreateWorkspace(dataX, dataY, dataE)
+ out_ws.setTitle("Dummy workspace")
+
+ file_path = os.path.join(config["defaultsave.directory"], "example.ses")
+
+ # Do a 'roundtrip' of the data
+ SaveSESANS(InputWorkspace=out_ws, Filename=file_path, ThetaZMax=1,ThetaYMax=1, EchoConstant=1, Sample="Sample")
+ LoadSESANS(Filename=file_path, OutputWorkspace="in_ws")
+
+ # Retrieve loaded workspace from ADS
+ in_ws = mtd["in_ws"]
+ print("Y values of loaded workspace = " + str(in_ws.readY(0)))
+
+.. testcleanup:: LoadSESANSRoundTrip
+
+ os.remove(file_path)
+
+Output:
+
+.. testoutput:: LoadSESANSRoundTrip
+
+ Y values of loaded workspace = [ 0.796338 0. 0.179365 0.130324]
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/MergeRuns-v1.rst b/docs/source/algorithms/MergeRuns-v1.rst
index dfc8f240bc7bcf7fb1b9f0071eb987c61d1cfd8e..0dc8a4786c767205ca91cf502d25de20c1e9cb21 100644
--- a/docs/source/algorithms/MergeRuns-v1.rst
+++ b/docs/source/algorithms/MergeRuns-v1.rst
@@ -104,6 +104,24 @@ for a given sample log.
<value val="0, 0.1, 2" />
</parameter>
+Merging Workspaces with Detector Scans
+######################################
+
+If the workspaces being merged contain detector scans then there are currently two options:
+
+1. The workspaces have identical scan intervals
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+In this case the workspaces will be merged as they normally would be by MergeRuns,
+that is the counts in the two workspaces are summed. The detectors must have the same
+positions, rotations etc. for all time intervals, else the algorithm will throw.
+
+2. The workspaces have different scan intervals
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+For this case the scan intervals must not overlap. The merged workspace histograms are
+appended to the end of the first workspace.
+
ChildAlgorithms used
####################
diff --git a/docs/source/algorithms/CalculateResolution-v1.rst b/docs/source/algorithms/NRCalculateSlitResolution-v1.rst
similarity index 55%
rename from docs/source/algorithms/CalculateResolution-v1.rst
rename to docs/source/algorithms/NRCalculateSlitResolution-v1.rst
index 5fab063f6b3a5b2ee78a146d79812218acd28407..5885a547200c0426e61ddc06f37a7ed4fd3bfcdb 100644
--- a/docs/source/algorithms/CalculateResolution-v1.rst
+++ b/docs/source/algorithms/NRCalculateSlitResolution-v1.rst
@@ -11,13 +11,8 @@ Description
This algorithm takes a workspace and a value for two theta, and attempts to calculate
the reflectometry resolution (dQ/Q) from them. If no value is provided for two theta
-then CalculateResolution will attempt to fetch a value from the workspace's log
-using the two theta log name provided.
-
-CalculateResolution outputs two values, the calculated resolution and the value of
-TwoTheta that was used in the calculation. The latter is useful when TwoTheta was not
-given to CalculateResolution, causing CalculateResolution to extract it from the
-workspace's sample log.
+then NRCalculateSlitResolution will attempt to fetch a value from the workspace's log
+using the theta log name provided.
The effective inverse of this algorithm is :ref:`algm-CalculateSlits`.
@@ -35,14 +30,18 @@ Beam Divergence
.. math::
- \frac{d1}{x} \equiv \frac{d2}{l - x} \equiv tan\alpha
+ \frac{d1}{x} \equiv \frac{d2}{l - x} \equiv \tan(\alpha)
+
+ \therefore \frac{d1}{x} = \frac{d1 + d2}{l}
- \therefore \frac{d1}{x} = \frac{d1 + d2}{l}
+ \therefore \alpha = \arctan\left(\frac{d1 + d2}{l}\right)
- \therefore \alpha = tan^{-1}\left(\frac{d1 + d2}{l}\right)
+where :math:`\alpha` gives is the beam divergence in radians. Parameter *d1* is the vertical distance of *Slit1* opening, *d2* is the same for *Slit2*. parameter *l* is the distance between the slits in the beam direction. See figure above for reference.
-where :math:`\alpha` gives is the beam divergence in radians. Parameter *d1* is the vertical distance of *Slit1* opening, *d2* is the same for *Slit2*. parameter *l* is the distance between the slits in the beam direction. See figure above for
-reference.
+The resolution is then calculated from:
+
+.. math::
+ resolution = \frac{\alpha}{2 \tan(\theta)}
Usage
-----
@@ -50,14 +49,12 @@ Usage
.. testcode::
ws = Load('INTER00013460')
- res, two_theta = CalculateResolution(Workspace = ws, TwoTheta = 0.7)
+ res = NRCalculateSlitResolution(Workspace = ws, TwoTheta = 0.7 * 2)
print("Resolution: %.4f" % res)
- print("Two Theta: %.4f" % two_theta)
.. testoutput::
Resolution: 0.0340
- Two Theta: 0.7000
.. categories::
diff --git a/docs/source/algorithms/ReflectometryReductionOne-v1.rst b/docs/source/algorithms/ReflectometryReductionOne-v1.rst
index 6ecb0e331bdb48735d1447fc9bc7f5b65e20da98..f7c99ab298894d3c0b73720ec424d3b4f250d6d3 100644
--- a/docs/source/algorithms/ReflectometryReductionOne-v1.rst
+++ b/docs/source/algorithms/ReflectometryReductionOne-v1.rst
@@ -159,7 +159,7 @@ Where :math:`\lambda_{min}` is the minimum extent of the `IvsLambda` Workspace
and :math:`\lambda_{max}` is the maximum extent of the `IvsLambda` Workspace.
If you have not provided a value for `MomentumTransferStep` then the algorithm
-will use :ref:`algm-CalculateResolution` to calculate this value for you.
+will use :ref:`algm-NRCalculateSlitResolution` to calculate this value for you.
Scaling
=======
@@ -237,7 +237,7 @@ Output:
.. testoutput:: ExReflRedOneSimple
The first four IvsLam Y values are: [ 0.0000e+00, 0.0000e+00, 7.8118e-07, 1.9346e-06 ]
- The first four IvsQ Y values are: [ 6.2615e-04, 7.8498e-04, 9.2155e-04, 1.1042e-03 ]
+ The first four IvsQ Y values are: [ 1.3845e-03, 1.9717e-03, 2.7579e-03, 4.1467e-03 ]
Theta out is the same as theta in: 0.7
diff --git a/docs/source/algorithms/ReflectometryReductionOneAuto-v1.rst b/docs/source/algorithms/ReflectometryReductionOneAuto-v1.rst
index d07d349e796698dc5312dad4b66ddf4b9c27c983..f965407cf629b0c67a2dccbf29cd996dda59827c 100644
--- a/docs/source/algorithms/ReflectometryReductionOneAuto-v1.rst
+++ b/docs/source/algorithms/ReflectometryReductionOneAuto-v1.rst
@@ -81,7 +81,7 @@ Output:
.. testoutput:: ExReflRedOneAutoSimple
The first four IvsLam Y values are: [ 5.3860e-06, 9.3330e-06, 6.9796e-06, 6.5687e-06 ]
- The first four IvsQ Y values are: [ 6.1526e-04, 7.7591e-04, 9.1161e-04, 1.0912e-03 ]
+ The first four IvsQ Y values are: [ 1.3648e-03, 1.9490e-03, 2.7277e-03, 4.0995e-03 ]
Theta out is the same as theta in: 0.7
**Example - Reduce a Run with a transmission run**
@@ -102,7 +102,7 @@ Output:
.. testoutput:: ExReflRedOneAutoTrans
The first four IvsLam Y values are: [ 3.2705e-05, 5.5450e-05, 3.9630e-05, 3.5770e-05 ]
- The first four IvsQ Y values are: [ 8.4835e-01, 1.0204e+00, 1.3771e+00, 1.2833e+00 ]
+ The first four IvsQ Y values are: [ 9.3930e-01, 1.3251e+00, 1.2766e+00, 1.1977e+00 ]
Theta out is the same as theta in: 0.7
**Example - Reduce a Run overloading default parameters**
@@ -122,7 +122,7 @@ Output:
.. testoutput:: ExReflRedOneAutoOverload
The first four IvsLam Y values are: [ 5.3868e-06, 9.3344e-06, 6.9807e-06, 6.5696e-06 ]
- The first four IvsQ Y values are: [ 6.1535e-04, 7.7602e-04, 9.1174e-04, 1.0913e-03 ]
+ The first four IvsQ Y values are: [ 1.3650e-03, 1.9493e-03, 2.7281e-03, 4.1001e-03 ]
Theta out is the same as theta in: 0.7
**Example - Polynomial correction**
diff --git a/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst b/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
index bd7dd86f593db00252c9e9b24dc32910a44de41b..173b9aa7c97925a3c60028bba70cd4328f6e9d41 100644
--- a/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
+++ b/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
@@ -67,7 +67,7 @@ Note that when using a correction algorithm, monitors will not be integrated, ev
Finally, properties :literal:`MomentumTransferMin`, :literal:`MomentumTransferStep` and :literal:`MomentumTransferMax` are
used to rebin the output workspace in Q, and :literal:`ScaleFactor` is used to scale the rebinned workspace. When they
-are not provided the algorithm will attempt to determine the bin width using :ref:`algm-CalculateResolution` (note that, for
+are not provided the algorithm will attempt to determine the bin width using :ref:`algm-NRCalculateSlitResolution` (note that, for
the latter to run successfully, a :literal:`slit` component with a :literal:`vertical gap` must be defined in the
instrument definition file).
@@ -153,8 +153,8 @@ Output:
0.00462
0.63441
0.41079
- 0.44780
- 0.23690
+ 0.01248
+ 0.00905
**Example - Basic reduction with a transmission run**
@@ -179,8 +179,8 @@ Output:
0.00338
1.16756
0.89144
- 1.46645
- 1.41351
+ 0.98439
+ 1.00991
**Example - Reduction overriding some default values**
@@ -204,8 +204,8 @@ Output:
0.00462
0.64241
0.41453
- 0.51028
- 0.52241
+ 0.50007
+ 0.48771
.. categories::
diff --git a/docs/source/algorithms/SaveSESANS-v1.rst b/docs/source/algorithms/SaveSESANS-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..1d53164654ea5f9149407877b87f9f877eee6d8e
--- /dev/null
+++ b/docs/source/algorithms/SaveSESANS-v1.rst
@@ -0,0 +1,54 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+Saves the given workspace to a file which will be formatted in the
+SESANS data format. A workspace with a single spectrum is expected,
+where the X values are wavelength and the Y values are polarisation
+
+Usage
+-----
+
+**Example - Loading a file**
+
+.. testcode:: LoadSESANSRoundTrip
+
+ import os
+
+ # Create dummy workspace
+ dataX = [1,2,3,4,5]
+ dataY = [6,1,9,14]
+ dataE = [1,1,4,5]
+ out_ws = CreateWorkspace(dataX, dataY, dataE)
+ out_ws.setTitle("Dummy workspace")
+
+ file_path = os.path.join(config["defaultsave.directory"], "example.ses")
+
+ # Do a 'roundtrip' of the data
+ SaveSESANS(InputWorkspace=out_ws, Filename=file_path, ThetaZMax=1,ThetaYMax=1, EchoConstant=1, Sample="Sample")
+ LoadSESANS(Filename=file_path, OutputWorkspace="in_ws")
+
+ # Retrieve loaded workspace from ADS
+ in_ws = mtd["in_ws"]
+ print("Y values of loaded workspace = " + str(in_ws.readY(0)))
+
+.. testcleanup:: LoadSESANSRoundTrip
+
+ os.remove(file_path)
+
+Output:
+
+.. testoutput:: LoadSESANSRoundTrip
+
+ Y values of loaded workspace = [ 0.796338 0. 0.179365 0.130324]
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/SpecularReflectionCalculateTheta-v1.rst b/docs/source/algorithms/SpecularReflectionCalculateTheta-v1.rst
index d2459051fe951c01381e8845539719151bc1322e..9ba32958cd5024caa01e45e87d9c04f2b0f28b6b 100644
--- a/docs/source/algorithms/SpecularReflectionCalculateTheta-v1.rst
+++ b/docs/source/algorithms/SpecularReflectionCalculateTheta-v1.rst
@@ -39,7 +39,7 @@ Usage
MoveInstrumentComponent(ws, 'some-surface-holder',RelativePosition=False, X=0, Y= 0, Z=0)
# Calculate the two theta.
- two_theta = SpecularReflectionCalculateTheta(InputWorkspace=ws, DetectorComponentName='point-detector', AnalysisMode='PointDetectorAnalysis')
+ two_theta = SpecularReflectionCalculateTheta(InputWorkspace=ws, DetectorComponentName='point-detector', AnalysisMode='PointDetectorAnalysis', Version=1)
print two_theta
Output:
diff --git a/docs/source/algorithms/SpecularReflectionCalculateTheta-v2.rst b/docs/source/algorithms/SpecularReflectionCalculateTheta-v2.rst
new file mode 100644
index 0000000000000000000000000000000000000000..14916278a924066a440ec166e136c372ca2854c9
--- /dev/null
+++ b/docs/source/algorithms/SpecularReflectionCalculateTheta-v2.rst
@@ -0,0 +1,62 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+Uses the Specular reflection condition :math:`\theta_{In} \equiv \theta_{Out}`
+to calculate and return a corrected :math:`\theta_{In}`.
+
+.. math::
+
+ 2\theta = \arctan\left(\frac{UpOffset}{BeamOffset}\right)
+
+The calculated :math:`2\theta` value in degrees is returned by the algorithm.
+
+Also see
+:ref:`algm-SpecularReflectionPositionCorrect`
+
+Previous Versions
+-----------------
+
+For version 1 of the algorithm, please see
+`SpecularReflectionCalculateTheta-v1. <SpecularReflectionCalculateTheta-v1.html>`_. Note
+that version 1 worked with detectors at :math:`\theta` rather than
+:math:`2\theta` for historical reasons.
+
+Usage
+-----
+
+**Example - Point detector theta calculation**
+
+.. testcode:: SpecularReflectionCalculateThetaPointDetectorExample
+
+ # Set up an instrument with a 45 degree final two theta angle.
+ import os
+ instrument_def = os.path.join( config.getInstrumentDirectory() , "INTER_Definition.xml")
+ ws = LoadEmptyInstrument(instrument_def)
+ inst = ws.getInstrument()
+ ref_frame = inst.getReferenceFrame()
+ upoffset = ref_frame.vecPointingUp()
+ det_position = {ref_frame.pointingUpAxis(): 1.0, ref_frame.pointingAlongBeamAxis(): 1.0, ref_frame.pointingHorizontalAxis():0}
+ MoveInstrumentComponent(ws, 'point-detector',RelativePosition=False, **det_position)
+ MoveInstrumentComponent(ws, 'some-surface-holder',RelativePosition=False, X=0, Y= 0, Z=0)
+
+ # Calculate the two theta.
+ two_theta = SpecularReflectionCalculateTheta(InputWorkspace=ws, DetectorComponentName='point-detector', AnalysisMode='PointDetectorAnalysis')
+ print(two_theta)
+
+Output:
+
+.. testoutput:: SpecularReflectionCalculateThetaPointDetectorExample
+
+ 45.0
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/concepts/ComponentInfo.rst b/docs/source/concepts/ComponentInfo.rst
new file mode 100644
index 0000000000000000000000000000000000000000..80ce4b8f77f7d0230210e6eb3f9afe5fae3778a6
--- /dev/null
+++ b/docs/source/concepts/ComponentInfo.rst
@@ -0,0 +1,15 @@
+.. _ComponentInfo:
+
+=============
+ComponentInfo
+=============
+
+.. contents::
+ :local:
+
+Introduction
+------------
+``ComponentInfo`` provides faster and simpler access to instrument/beamline geometry as required by Mantid :ref:`Algorithms <Algorithm>` than was possible using :ref:`Instrument`. ``ComponentInfo`` and :ref:`DetectorInfo` are designed as full replacements to :ref:`Instrument`. At the time of writing, `ComponentInfo` is incomplete.
+
+Until complete, :ref:`Instrument Access Layers <InstrumentAccessLayers>` provides the best details on how `ComponentInfo` can be used in it's current state of implementation.
+
diff --git a/docs/source/concepts/DetectorInfo.rst b/docs/source/concepts/DetectorInfo.rst
new file mode 100644
index 0000000000000000000000000000000000000000..9af68a98968c52cbe8d17ea303e5fa9c72ada3f9
--- /dev/null
+++ b/docs/source/concepts/DetectorInfo.rst
@@ -0,0 +1,14 @@
+.. _DetectorInfo:
+
+=============
+DetectorInfo
+=============
+
+.. contents::
+ :local:
+
+Introduction
+------------
+``DetectorInfo`` provides faster and simpler access to instrument/beamline detector geometry and metadata as required by Mantid :ref:`Algorithms <Algorithm>` than was possible using :ref:`Instrument`. ``DetectorInfo`` and :ref:`ComponentInfo` are designed as full replacements to :ref:`Instrument`. At the time of writing, `DetectorInfo` is incomplete.
+
+Until complete, :ref:`Instrument Access Layers <InstrumentAccessLayers>` provides the best details on how `DetectorInfo` can be used in it's current state of implementation.
diff --git a/docs/source/concepts/InstrumentAccessLayers.rst b/docs/source/concepts/InstrumentAccessLayers.rst
index 45aba7673070ed57e43e1664fcb84318122349ea..a0ab7c47262cb20bc6ad9e9c83a818cbaff2154b 100644
--- a/docs/source/concepts/InstrumentAccessLayers.rst
+++ b/docs/source/concepts/InstrumentAccessLayers.rst
@@ -1,8 +1,8 @@
.. _InstrumentAccessLayers:
-===================================================
-Instrument Access via SpectrumInfo and DetectorInfo
-===================================================
+================================================================
+Instrument Access via SpectrumInfo, DetectorInfo, ComponentInfo
+================================================================
.. contents::
:local:
@@ -10,16 +10,18 @@ Instrument Access via SpectrumInfo and DetectorInfo
Introduction
------------
-There are two new layers to access instrument information, ``SpectrumInfo`` and ``DetectorInfo``, that are going to be introduced to Mantid as part of the work towards Instrument 2.0. Eventually these classes will store commonly accessed information about spectra or detectors, namely masking, monitor flags, L1, L2, 2-theta and position, leading to improved performance and cleaner code.
+There are three layers to access instrument information, ``SpectrumInfo``, ``DetectorInfo``, and ``ComponentInfo``, which are introduced to Mantid as part of Instrument 2.0. These classes store all commonly accessed information about spectra and detectors, components, and the relationships between them. Masking, monitor flags, L1, L2, 2-theta and position are stored as part of ``DetectorInfo``. In addition, ``ComponentInfo`` provides the API to tree and shape related operations historically performed by ``Instrument`` type.
A spectrum corresponds to (a group of) one or more detectors. Most algorithms work with spectra and thus ``SpectrumInfo`` would be used. Some algorithms work on a lower level (with individual detectors) and thus ``DetectorInfo`` would be used.
-In many cases direct access to ``Instrument`` can be removed by using these layers. This will also help in moving to using indexes for enumeration, and only working with IDs for user-facing input.
+The legacy ``Instrument`` largely consists of ``Detectors`` and ``Components`` - all detectors are also components. ``DetectorInfo`` and ``ComponentInfo`` are the respective replacements for these. ``ComponentInfo`` introduces a **component index** for access, and ``DetectorInfo`` introduces a **detector index**, these will be discussed further below. ``DetectorInfo`` and ``ComponentInfo`` share in-memory data. The difference between the two is best thought about in terms of their interfaces. The interface for ``DetectorInfo`` is designed for working with detectors, and the interface for ``ComponentInfo`` is designed for working with generic components.
+
+In many cases direct access to legacy ``Instrument`` can be removed by using these layers. This will also help in moving to using indexes for enumeration, and only working with IDs for user-facing input.
Current Status
##############
-``SpectrumInfo`` and ``DetectorInfo`` are currently implemented as wrapper classes in Mantid. Using the new interfaces everywhere now will help with the eventual rollout of Instrument 2.0. It also provides cleaner code and will help with the rollout of planned indexing changes. It is also necessary to provide the addition of time indexing, required to support scanning instruments.
+``SpectrumInfo``, ``DetectorInfo`` and ``ComponentInfo`` are largely complete, with a diminishing number of cases where any legacy direct ``Instrument`` access is still necessary. However, using the new interfaces everywhere now will help with the eventual complete rollout of Instrument 2.0.
SpectrumInfo
____________
@@ -31,7 +33,15 @@ ____________
``DetectorInfo`` can be obtained from a call to ``ExperimentInfo::detectorInfo()`` (usually this method would be called on ``MatrixWorkspace``). The wrapper class holds a reference to the parametrised instrument for retrieving the relevant information.
-There is also a partial implementation of the "real" ``DetectorInfo`` class, in the ``Beamline`` namespace. The real class currently stores the masking information for a detector. The wrapper ``DetectorInfo`` class holds a reference to the real class. This does not affect the rollout, where the wrapper class should still be used in all cases.
+There is also a near-complete implementation of the "real" ``DetectorInfo`` class, in the ``Beamline`` namespace. The wrapper ``DetectorInfo`` class (which you get from ``ExperimentInfo::detectorInfo()``) holds a reference to the real class. This does not affect the rollout, where the wrapper class should still be used in all cases.
+
+``ExperimentInfo`` now also provides a method ``mutableDetectorInfo()`` so that non-const access to the DetectorInfo is possible for purposes of writing detector related information such as positions or rotations.
+
+ComponentInfo
+______________
+``ComponentInfo`` can be obtatined from a call to ``ExperimentInfo::componentInfo()`` (usually this method would be called on ``MatrixWorkspace``). Much like ``DetectorInfo``, the ``ComponentInfo`` yielded from this method call is a wrapper, which contains shape and index information, that cannot yet be moved in to the real ``Beamline::ComponentInfo``. However, replacing existing usage of ``IComponent`` and ``IObjComponent`` wherever possible with ``ComponentInfo`` across the framework will represent a major step forwards.
+
+For writing to the component tree. You can extract a non-const ``ComponentInfo`` via ``ExperimentInfo::mutableComponentInfo``.
Changes for Rollout
-------------------
@@ -39,208 +49,139 @@ Changes for Rollout
Performance Tests
#################
-Before starting the refactoring work please take a look at the state of any performance tests that exist for the algorithms. If they exist they should be run to get the "before" timings. If they do not exist please add performance test for any algorithms that are widely used, or might be expected to have a performance increase. See `this performance test <https://github.com/mantidproject/mantid/pull/18189/files#diff-5695221d30495359738f90b83ceb0ba3>`_ added for the ``SpectrumInfo`` rollout for an example of adding such a test.
+Before starting the refactoring work please take a look at the state of any performance tests that exist for the algorithms. If they exist they should be run to get the "before" timings. If they do not exist please add performance test for any algorithms that are widely used, or might be expected to have a performance increase. See `this performance test <https://github.com/mantidproject/mantid/pull/18189/files#diff-5695221d30495359738f90b83ceb0ba3>`_ added for the previous ``SpectrumInfo`` rollout phase for an example of adding such a test.
Each PR should include the runtime metrics for the algorithms changed, so that improvements can be captured for the release notes.
-SpectrumInfo
-############
+ComponentInfo
+#############
Basics
______
-All instances of ``MatrixWorkspace::getDetector()`` should be replaced using calls to the ``SpectrumInfo`` object obtained from ``MatrixWorkspace::spectrumInfo()``. The methods below can then be called on `SpectrumInfo` instead of on the detector.
+The conversion is similar to that for ``DetectorInfo``, which is already largely complete in the framework. For ``ComponentInfo`` all instances of ``Instrument::getComponentByID(const ComponentID id)`` should be replaced using calls to the ``ComponentInfo`` object obtained from ``MatrixWorkspace::componentInfo()``. The methods below can then be called on ``ComponentInfo`` instead of on the component.
-* ``isMonitor(wsIndex)``
-* ``isMasked(wsIndex)``
-* ``l2(wsIndex)``
-* ``twoTheta(wsIndex)``
-* ``signedTwoTheta(wsIndex)``
-* ``position(wsIndex)``
+* ``isDetector(componentIndex)``
+* ``detectorsInSubtree(componentIndex)``
+* ``componentsInSubtree(componentIndex)``
+* ``position(componentIndex)``
+* ``rotation(componentIndex)``
+* ``hasParent(componentIndex)``
+* ``parent(componentIndex)``
+* ``position(componentIndex)``
+* ``solidAngle(componentIndex)``
+* ``scaleFactor(componentIndex)``
+* ``sourcePosition()``
+* ``samplePosition()``
+* ``l1()``
-The try/catch pattern for checking if a spectrum has a detector might look something like the following before/after example.
+The following methods are useful helpers on ``ComponentInfo`` that allow the extraction of the **component index** for key components
-**Before refactoring**
+* ``root()``
+* ``source()``
+* ``sample()``
-.. code-block:: c++
+**Indexing**
- try {
- Geometry::IDetector_const_sptr det = ws.getDetector(wsIndex);
- // do stuff
- catch (Exception::NotFoundError &) {
- // do exception
- return false;
- }
+The ``ComponentInfo`` object is accessed by an index going from 0 to the number of components (including the instrument iteself). **The component index for a detector is EQUAL to the detector index**, this is an important point to understand. In other words, a detector with a Detector Index of 5, for the purposes of working with a ``DetectorInfo`` and will have a Component Index of 5, when working with a ``ComponentInfo``. Explained in yet another way: The first 0 - n components referenced in the ``ComponentInfo`` are detectors, where n is the total number of detectors. This guarantee can be leveraged to provide speedups, as some of the examples will show.
-**After - check it has some detectors**
+A ``ComponentID`` for compatiblity with older code, and be extracted from ``ComponentInfo::componentID(componentIndex)``, but such calls should be avoided where possible.
-.. code-block:: c++
+It is also possible to use the method ``componentInfo.indexOf(componentID)`` to get the index for a particular component ID. However, this is a call to a lookup in an unordered map, so is an expensive calculation which should be avoided where possible.
- #include "MantidAPI/SpectrumInfo.h"
+**One should NEVER expose a Component Index or Detector Index through a user facing interface, such an algorithm or fit function.**. Detector Index and Component Indexes are internal concepts for fast enumeration. It is however desirable to translate from a ``ComponentIndex`` via ``ComponentInfo::indexOf`` to as early as possible and in such a way to avoid repeated calls to this method, as stated above. Likewise, conversion back to a ``ComponentIndex``, if so required, should be done as infrequently and, as late as possible.
- ...
+Below is an example refactoring.
- const auto &spectrumInfo = ws->spectrumInfo();
+**Before refactoring**
- if (spectrumInfo.hasDetectors(wsIndex)) {
- // do stuff
- } else {
- // do exception
- return false;
- }
+.. code-block:: c++
-In this case, which is generally more common, the check is for at least one detector. It is also possible to check for the existence of a unique detector, see the alternative after example below.
+ auto instrument = ws->getInstrument();
+ std::vector<IComponent_const_sptr> children;
+ instrument->getChildren(children, true /*Get all sub-children too*/);
+ std::vector<IComponent_const_sptr>::const_iterator it;
+ for (it = children.begin(); it != children.end(); ++it) {
+ if (const ObjComponent* obj = dynamic_cast<const ObjComponent*>(it->get())) {
+ // Do something with the obj component
+ obj.solidAngle(observer);
+ }
+ }
-**After - check for a unique detector**
+**After - looping over index**
.. code-block:: c++
- #include "MantidAPI/SpectrumInfo.h"
+ #include "MantidGeometry/Instrument/ComponentInfo.h"
...
- const auto &spectrumInfo = ws->spectrumInfo();
-
- if (!spectrumInfo.hasUniqueDetector(wsIndex)) {
- // do exception
- return false;
+ const auto &componentInfo = ws->componentInfo();
+ for (size_t i = 0; i < componentInfo.size(); ++i) {
+ componentInfo.solidAngle(i, observer);
}
- // do stuff
-
-
-Access to Detectors
-___________________
-
-The ``detector(wsIndex)`` method on ``SpectrumInfo`` returns the parameterised detector or detector group for the workspace. As ``SpectrumInfo`` does not provide access to things like ``Object::solidAngle()``, the ``detector()`` method on ``SpectrumInfo`` can be used to get access to these methods.
-
-Mutable SpectrumInfo
-____________________
+Access to Components and working with Detectors
+_______________________________________________
-The method ``MatrixWorkspace::mutableSpectrumInfo()`` returns a non-const ``SpectrumInfo`` object. Currently the only method that this access is required for is ``SpectrumInfo::setMasked(const size_t index, bool masked)``.
+Detector Indices are the same as the corresponding Component Indices. Note that there are no dynamic casts. The following examples are for illustration purposes only.
-Useful Tips
-___________
-
-* Creation of ``SpectrumInfo`` objects is not cheap. Make sure ``ws.spectrumInfo()`` is called outside of loops that go over all spectra.
-* If a ``SpectrumInfo`` object is required for more than one workspace then include the workspace name in the name of the ``SpectrumInfo`` object, to avoid confusion.
-* Get the ``SpectrumInfo`` object as a const reference and use auto - ``const auto &spectrumInfo = ws->spectrumInfo();``.
-* Do not forget to add the import - ``#include "MantidAPI/SpectrumInfo.h"``.
-
-Complete Examples
-_________________
-
-* `FindCenterOfMassPosition2.cpp <https://github.com/mantidproject/mantid/pull/17394/files#diff-905c244467474fc320eaf3b8c7a9f0dd>`_
-
-* `CreatePSDBleedMask.cpp <https://github.com/mantidproject/mantid/pull/18218/files#diff-f490acf06e76f93898dc7d486c8dfa93>`_
-
-* `HRPDSlabCanAbsorption.cpp <https://github.com/mantidproject/mantid/pull/18464/files#diff-fc151838d9d7cc2e4ea469e98472c791>`_
-
-DetectorInfo
-############
-
-Basics
-______
-
-The conversion is similar to that for ``SpectrumInfo``. For ``DetectorInfo`` all instances of ``Instrument::getDetector()`` should be replaced using calls to the ``DetectorInfo`` object obtained from ``MatrixWorkspace::detectorInfo()``. The methods below can then be called on ``DetectorInfo`` instead of on the detector.
-
-* ``isMonitor(detIndex)``
-* ``isMasked(detIndex)``
-* ``l2(detIndex)``
-* ``twoTheta(detIndex)``
-* ``signedTwoTheta(detIndex)``
-* ``position(detIndex)``
-
-**Indexing**
-
-The ``DetectorInfo`` object is accessed by an index going from 0 to the number of detectors. A vector of detector IDs can be obtained from a call to ``detectorInfo.detectorIDs()``.
-
-It is also possible to use the method ``detectorInfo.indexOf(detID)`` to get the index for a particular detector ID. However, this is a call to a lookup in an unordered map, so is an expensive calculation which should be avoided where possible.
-
-Below is an example refactoring.
-
-**Before refactoring**
+**Combining DetectorInfo and ComponentInfo**
.. code-block:: c++
- auto instrument = ws->getInstrument();
- if (!instrument)
- throw runtime_error("There is no instrument in input workspace.")
+ #include "MantidGeometry/Instrument/ComponentInfo.h"
+ #include "MantidGeometry/Instrument/DetectorInfo.h"
- size_t numdets = instrument->getNumberDetectors();
- vector<detid_t> detIds = instrument->getDetectorIDs();
+ ...
- for (size_t i = 0; i < numdets; ++i) {
- IDetector_const_sptr tmpdetector = instrument->getDetector(detIds[i]);
- if (tmpdetector->isMasked()) {
- maskeddetids.push_back(tmpdetid);
+ const auto &componentInfo = ws->componentInfo();
+ const auto &detectorInfo = ws->componentInfo();
+
+ std::vector<double> solidAnglesForDetectors(detectorInfo.size(), -1.0);
+ for (size_t i = 0; i < componentInfo.size(); ++i) {
+ if(componentInfo.isDetector(i) && !detectorInfo.isMasked(i))
+ solidAnglesForDetectors[i] = componentInfo.solidAngle(i, observer);
}
}
-**After - looping over index**
+``ComponentInfo`` can give quick access to parent and sub-tree component and detector indices.
.. code-block:: c++
- #include "MantidAPI/Detector.h"
+ #include "MantidGeometry/Instrument/ComponentInfo.h"
+ #include "MantidGeometry/Instrument/DetectorInfo.h"
+ size_t bank0Index; // Component index for bank 0
...
- const auto &detectorInfo = ws->detectorInfo();
- if (detectorInfo.size() == 0)
- throw runtime_error("There is no instrument in input workspace.")
-
- vector<detid_t> detIds = detectorInfo.detectorIDs();
-
- for (size_t i = 0; i < detectorInfo.size(); ++i) {
- if (detectorInfo.isMasked(i)) {
- maskedDetIds.push_back(detIds[i]);
- }
- }
-
-Access to Detectors
-___________________
+ const auto &componentInfo = ws->componentInfo();
+ auto bankComponents = componentInfo.componentsInSubtree(bank0Index);
+ auot bankDetectors = componentInfo.detectorsInSubtree(bank0Index);
-As for the ``SpectrumInfo`` object ``DetectorInfo`` can return a parameterised detector for the workspace.
+Mutable ComponentInfo
+_____________________
-Mutable DetectorInfo
-____________________
+The method ``ExperimentInfo::mutableComponentInfo()`` returns a non-const ``ComponentInfo`` object. This allows the methods below to be used.
-The method ``ExperimentInfo::mutableDetectorInfo()`` returns a non-const ``DetectorInfo`` object. This allows the methods below to be used.
-
-* ``setMasked(const size_t index, bool masked);``
-* ``clearMaskFlags();``
* ``setPosition(const size_t index, const Kernel::V3D &position);``
* ``setRotation(const size_t index, const Kernel::Quat &rotation);``
-* ``setPosition(const Geometry::IComponent &comp, const Kernel::V3D &pos);``
-* ``setRotation(const Geometry::IComponent &comp, const Kernel::Quat &rot);``
-
-For a complete example of setting the position of a detector see the changes to the algorithm `ApplyCalibration.cpp <https://github.com/mantidproject/mantid/commit/0c75f46e85c2dc39c2b76ea811f161fdfdef938e#diff-a4ccabae0099bfc22b3b87154cd6ee9e>`_.
+* ``setScaleFactor(const size_t index, const Kernel::V3D &scaleFactor);``
Useful Tips
___________
-See tips for ``SpectrumInfo`` - the same advice applies to using ``DetectorInfo``.
-
-Complete Examples
-_________________
-
-* `FindDetectorsInShape.cpp <https://github.com/mantidproject/mantid/commit/177ad14b25db7c40ee10be513512be9ae7dd0da1#diff-7f367da22c1a837b315b4bca5b2b3e24>`_
-
-* `SmoothNeighbours.cpp <https://github.com/mantidproject/mantid/pull/18295/files#diff-26a49ef923e1bdd77677b962528d1e01>`_
-
-* `ClaerMaskFlag.cpp <https://github.com/mantidproject/mantid/pull/18198/files#diff-7f0f739ba6db714eb6ef64b6125e4620>`_
-
-* `ApplyCalibration.cpp <https://github.com/mantidproject/mantid/commit/0c75f46e85c2dc39c2b76ea811f161fdfdef938e#diff-a4ccabae0099bfc22b3b87154cd6ee9e>`_ - for mutable ``DetectorInfo``
-
-Rollout status
---------------
-
-See ticket `17743 <https://github.com/mantidproject/mantid/issues/17743>`_ for an overview of the ``SpectrumInfo`` and ``DetectorInfo`` rollout, including completed and algorithms, and remaining algorithms. Please follow the instructions on the ticket for the rollout.
+* Creation of ``ComponentInfo`` is not cheap enough to perform uncessarily inside loops. For const access, ``ws.componentInfo()`` should be called outside of loops that enumerate over all components.
+* If a ``ComponentInfo`` object is required for more than one workspace, include the workspace name in the variable name to avoid confusion.
+* Get the ``ComponentInfo`` object as a const-ref and use ``const auto &componentInfo = ws->componentInfo();``, do not get a non-const reference unless you really do need to modify the object, and ensure that the ``&`` is always included to prevent accidental copies.
+* ``ComponentInfo`` is widely forward declared. Ensure that you import - ``#include "MantidGeometry/Instrument/ComponentInfo.h"``
+* As explained above, a detector index is the same thing as a component index. No translation necessary. The fact that the first 0-n component indexes are for detectors is a feature that can be leveraged.
+* A bank always has a higher component index than any of its nested components. The root is the highest component index of all. This feature can be leveraged. Consider reverse iterating through component indexes when performing operations that involve higher-level components.
Dealing with problems
---------------------
-Join #instrument-2_0 on Slack if you need help or have questions. Please also feel free to get in touch with Ian Bush, Simon Heybrock or Owen Arnold directly for any questions about the ``SpectrumInfo``, ``DetectorInfo`` and the rollout.
+Join #instrument-2_0 on Slack if you need help or have questions. Please also feel free to get in touch with Owen Arnold, Simon Heybrock or Lamar Moore directly for any questions about the ``ComponentInfo`` rollout.
.. categories:: Concepts
diff --git a/docs/source/diagrams/DirectILLCollectData-v1_wkflw.dot b/docs/source/diagrams/DirectILLCollectData-v1_wkflw.dot
new file mode 100644
index 0000000000000000000000000000000000000000..064d008b8ae34db018b191156b1c942da9d6b4d3
--- /dev/null
+++ b/docs/source/diagrams/DirectILLCollectData-v1_wkflw.dot
@@ -0,0 +1,92 @@
+digraph DirectILLCollectData {
+ label = "DirectILLCollectData workflow diagram"
+ $global_style
+
+ subgraph params {
+ $param_style
+ bkgScaling [label="FlatBkgScaling"]
+ inputFile [label="Run"]
+ inputWS [label="InputWorkspace"]
+ inputEPP [label="EPPWorkspace"]
+ inputBkg [label="FlatBkgWorkspace"]
+ inputEi [label="IncidentEnergyWorkspace"]
+ outputBkg [label="OutputFlatBkgWorkspace"]
+ outputEi [label="OutputIncidentEnergyWorkspace"]
+ outputEPP [label="OutputEPPWorkspace"]
+ outputRaw [label="OutputRawWorkspace"]
+ outputWS [label="OutputWorkspace"]
+ }
+
+ subgraph algorithms {
+ $algorithm_style
+ CalculateFlatBackground [label="CalculateFlatBackground"]
+ CalibrateEi [label="Calibrate incident energy"]
+ CorrectTOFAxis [label="CorrectTOFAxis"]
+ CorrectTOFAxisRaw [label="CorrectTOFAxis"]
+ ExtractMonitors [label="ExtractMonitors"]
+ FindEPP [label="FindEPP \n or \n CreateEPP"]
+ FindEPPAgain [label="FindEPP \n or \n CreateEPP"]
+ IntegrateMonitor [label="Integrate monitor"]
+ LoadILLTOF [label="LoadILLTOF"]
+ MergeRuns [label="MergeRuns"]
+ Normalize [label="Normalise to monitor/time"]
+ ScaleAfterNormalization [label="Scale"]
+ ScaleBkg [label="Scale"]
+ SubtractBkgDetector [label="Subtract flat background"]
+ SubtractBkgMonitor [label="Subtract flat background"]
+ }
+
+ subgraph values {
+ $value_style
+ detectors [label="Detector workspace"]
+ monitors [label="Monitor workspace"]
+ }
+
+ subgraph decisions {
+ $decision_style
+ inputBkgGiven [label="FlatBkgWorkspace given?"]
+ inputEiGiven [label="IncidentEnergyWorkspace given?"]
+ inputEPPGiven [label="EPPWorkspace given?"]
+ inputFileGiven [label="Run given?"]
+ }
+
+ inputFileGiven -> inputFile [label="yes"]
+ inputFile -> LoadILLTOF
+ LoadILLTOF -> MergeRuns
+ MergeRuns -> ExtractMonitors
+ inputFileGiven -> inputWS [label="no"]
+ inputWS -> ExtractMonitors
+ ExtractMonitors -> monitors
+ monitors -> SubtractBkgMonitor
+ SubtractBkgMonitor -> IntegrateMonitor
+ IntegrateMonitor -> Normalize
+ ExtractMonitors -> detectors
+ detectors -> Normalize
+ detectors -> CorrectTOFAxisRaw
+ Normalize -> ScaleAfterNormalization
+ ScaleAfterNormalization -> inputBkgGiven
+ inputBkgGiven -> CalculateFlatBackground [label="no"]
+ CalculateFlatBackground -> outputBkg
+ CalculateFlatBackground -> ScaleBkg
+ inputBkgGiven -> inputBkg [label="yes"]
+ inputBkg -> ScaleBkg
+ bkgScaling -> ScaleBkg
+ ScaleBkg -> SubtractBkgDetector
+ ScaleAfterNormalization -> SubtractBkgDetector
+ inputEPPGiven -> FindEPP [label="no"]
+ SubtractBkgDetector -> FindEPP
+ FindEPP -> CalibrateEi
+ inputEPPGiven -> inputEPP [label="yes"]
+ inputEPP -> CalibrateEi
+ SubtractBkgDetector -> CalibrateEi
+ inputEiGiven -> inputEPPGiven [label="no"]
+ CalibrateEi -> outputEi
+ inputEiGiven -> inputEi [label="yes"]
+ inputEi -> CalibrateEi
+ CalibrateEi -> CorrectTOFAxis
+ CalibrateEi -> CorrectTOFAxisRaw [label="as reference workspace"]
+ CorrectTOFAxisRaw -> outputRaw
+ CorrectTOFAxis -> FindEPPAgain
+ CorrectTOFAxis ->outputWS
+ FindEPPAgain -> outputEPP
+}
diff --git a/docs/source/diagrams/DirectILLDiagnostics-v1_wkflw.dot b/docs/source/diagrams/DirectILLDiagnostics-v1_wkflw.dot
new file mode 100644
index 0000000000000000000000000000000000000000..c3198993cf1a1d4cc4e4d74067ef5098c35f73a4
--- /dev/null
+++ b/docs/source/diagrams/DirectILLDiagnostics-v1_wkflw.dot
@@ -0,0 +1,67 @@
+digraph DirectILLDiagnostics {
+ label = "DirectILLDiagnostics workflow diagram"
+ $global_style
+
+ subgraph params {
+ $param_style
+ beamStopThreshold [label="BeamStopThreshold"]
+ bkgExcludeWidth [label="NonBkgRegionInSigmas"]
+ bkgThresholds [label="Bkg thresholds"]
+ elasticPeakWidth [label="ElasticPeakWidthInSigmas"]
+ inputEPP [label="EPPWorkspace"]
+ inputWS [label="InputWorkspace"]
+ maskIndices [label="MaskedDetectors"]
+ maskComponents [label="MaskedComponents"]
+ outputDiagnostics [label="OutputWorkspace"]
+ peakThresholds [label="Peak thresholds"]
+ }
+
+ subgraph algorithms {
+ $algorithm_style
+ DiagnoseBkg [label="Diagnose flat backgrounds"]
+ DiagnosePeaks [label="Diagnose elastic peaks"]
+ DefineBeamStop [label="Define beam\nstop shadow"]
+ IntegrateBkg [label="Integrate\nbackgrounds"]
+ IntegrateIntensities [label="Integrate"]
+ IntegratePeaks [label="Integrate\nelastic peak"]
+ Plus [label="Plus"]
+ }
+
+ subgraph values {
+ $value_style
+ beamStopMask [label="Beam stop\nmask"]
+ beamStopSpectra [label="Beam stop spectra"]
+ bkgDiagnostics [label="Background diagnostics\nworkspace"]
+ defaultMask [label="Default mask\nfrom file"]
+ peakDiagnostics [label="Peak diagnostics\nworkspace"]
+ }
+
+ subgraph decisions {
+ $decision_style
+ }
+
+ inputWS -> IntegratePeaks
+ inputEPP -> IntegratePeaks
+ elasticPeakWidth -> IntegratePeaks
+ inputWS -> IntegrateBkg
+ inputEPP -> IntegrateBkg
+ bkgExcludeWidth -> IntegrateBkg
+ IntegratePeaks -> DiagnosePeaks
+ peakThresholds -> DiagnosePeaks
+ DiagnosePeaks -> peakDiagnostics
+ IntegrateBkg -> DiagnoseBkg
+ bkgThresholds -> DiagnoseBkg
+ DiagnoseBkg -> bkgDiagnostics
+ peakDiagnostics -> Plus
+ bkgDiagnostics -> Plus
+ beamStopSpectra -> IntegrateIntensities
+ inputWS -> IntegrateIntensities
+ IntegrateIntensities -> DefineBeamStop
+ beamStopThreshold -> DefineBeamStop
+ DefineBeamStop -> beamStopMask
+ beamStopMask -> Plus
+ maskIndices -> Plus
+ maskComponents -> Plus
+ defaultMask -> Plus
+ Plus -> outputDiagnostics
+}
diff --git a/docs/source/diagrams/DirectILLReduction-v1_wkflw.dot b/docs/source/diagrams/DirectILLReduction-v1_wkflw.dot
new file mode 100644
index 0000000000000000000000000000000000000000..6a91ffb61d548a16f3c732297b58f17718a10d7e
--- /dev/null
+++ b/docs/source/diagrams/DirectILLReduction-v1_wkflw.dot
@@ -0,0 +1,58 @@
+digraph DirectILLReduction {
+ label = "DirectILLReduction workflow diagram"
+ $global_style
+
+ subgraph params {
+ $param_style
+ inputDiagnostics [label="DiagnosticsWorkspace"]
+ inputVana [label="IntegratedVanadiumWorkspace"]
+ inputWS [label="InputWorkspace"]
+ outputWS [label="OutputWorkspace"]
+ outputOptionalWS [label="OutputSofThetaEnergyWorkspace"]
+ qBinParams [label="q rebinning settings"]
+ wRebinParams [label="Energy rebinning settings"]
+ }
+
+ subgraph decisions {
+ $decision_style
+ absoluteUnitsEnabled [label="Normalise to absolute units?"]
+ inputDiagnosticsGiven [label="DiagnosticsWorkspace given?"]
+ }
+
+ subgraph algorithms {
+ $algorithm_style
+ AbsoluteUnits [label="Scale to absolute units"]
+ ApplyDiagnostics [label="Mask spectra"]
+ ConvertToEnergy [label="Convert TOF to energy transfer"]
+ CorrectKiKf [label="CorrectKiKf"]
+ DetectorEfficiency [label="DetectorEfficiencyCorUser"]
+ GroupDetectors [label="GroupDetectors"]
+ Normalize [label="Divide"]
+ Rebin [label="Rebin in energy"]
+ SofQW [label="SofQWNormalisedPolygon"]
+ }
+
+ subgraph values {
+ $value_style
+ }
+
+ inputWS -> inputDiagnosticsGiven
+ inputDiagnosticsGiven -> Normalize [label="no"]
+ inputDiagnosticsGiven -> ApplyDiagnostics [label="yes"]
+ inputDiagnostics -> ApplyDiagnostics
+ ApplyDiagnostics -> Normalize
+ inputVana -> Normalize
+ Normalize -> absoluteUnitsEnabled
+ absoluteUnitsEnabled -> ConvertToEnergy [label="no"]
+ absoluteUnitsEnabled -> AbsoluteUnits [label="yes"]
+ AbsoluteUnits -> ConvertToEnergy
+ ConvertToEnergy -> CorrectKiKf
+ CorrectKiKf -> Rebin
+ wRebinParams -> Rebin
+ Rebin -> DetectorEfficiency
+ DetectorEfficiency -> GroupDetectors
+ GroupDetectors -> outputOptionalWS
+ GroupDetectors -> SofQW
+ qBinParams -> SofQW
+ SofQW -> outputWS
+}
diff --git a/docs/source/diagrams/ReflectometryReductionOne_ConvertToMomentum-v1_wkflw.dot b/docs/source/diagrams/ReflectometryReductionOne_ConvertToMomentum-v1_wkflw.dot
index f6e54e7c7d8e4679b3f63c5f391996cd0b6196cc..3721a973d6986437e8ec4c50478fa2dfdacf820c 100644
--- a/docs/source/diagrams/ReflectometryReductionOne_ConvertToMomentum-v1_wkflw.dot
+++ b/docs/source/diagrams/ReflectometryReductionOne_ConvertToMomentum-v1_wkflw.dot
@@ -30,7 +30,7 @@ subgraph algorithms {
convertToMT [label="ConvertUnits\n(Momentum-transfer)"]
rotateSource [label="RotateSource"]
rotateSourceBack [label="RotateSource"]
- calcResolution [label="CalculateResolution"]
+ calcResolution [label="NRCalculateSlitResolution"]
rebin [label="Rebin"]
scale [label="Scale"]
}
diff --git a/docs/source/images/sans_isis_v2_adjustment_tab_files.png b/docs/source/images/sans_isis_v2_adjustment_tab_files.png
new file mode 100644
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index 0000000000000000000000000000000000000000..fa5197f049dcb0930981f05b38c3d21f1fae9725
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diff --git a/docs/source/interfaces/DataProcessorWidget.rst b/docs/source/interfaces/DataProcessorWidget.rst
index fe0c6893bf520cd1809e209a36f2e90f42bfc522..f7c9bde5049b312cdfc05895cca16d0818f8b8b9 100644
--- a/docs/source/interfaces/DataProcessorWidget.rst
+++ b/docs/source/interfaces/DataProcessorWidget.rst
@@ -50,7 +50,7 @@ Below is an example illustrating how to create a white list and add some columns
.. code-block:: python
- whitelist = MantidQt.MantidWidgets.DataProcessorWhiteList()
+ whitelist = MantidQt.MantidWidgets.DataProcessor.WhiteList()
whitelist.addElement('Runs', 'InputWorkspace', 'The run to reduce')
whitelist.addElement('Angle', 'ThetaIn', 'The incident angle')
whitelist.addElement('Transmission Runs', 'FirstTransmissionRun', 'Transmission runs')
@@ -80,7 +80,7 @@ no effect on the way the table is displayed. Therefore, the following whitelist:
.. code-block:: python
- whitelist = MantidQt.MantidWidgets.DataProcessorWhiteList()
+ whitelist = MantidQt.MantidWidgets.DataProcessor.WhiteList()
whitelist.addElement('Runs', 'InputWorkspace', 'The run to reduce', True, '')
whitelist.addElement('Angle', 'ThetaIn', 'The incident angle', False, '')
whitelist.addElement('Transmission Runs', 'FirstTransmissionRun', 'Transmission runs', False, '')
@@ -115,7 +115,7 @@ names and values are pre-processing algorithms. In this example, a pre-process m
.. code-block:: python
- preprocess_map = MantidQt.MantidWidgets.DataProcessorPreprocessMap()
+ preprocess_map = MantidQt.MantidWidgets.DataProcessor.PreprocessMap()
preprocess_map.addElement('Runs', 'Plus')
preprocess_map.addElement('Transmission Runs', 'CreateTransmissionWorkspaceAuto')
@@ -156,7 +156,7 @@ the loaded workspaces. The example below:
.. code-block:: python
- preprocess_map = MantidQt.MantidWidgets.DataProcessorPreprocessMap()
+ preprocess_map = MantidQt.MantidWidgets.DataProcessor.PreprocessMap()
preprocess_map.addElement('Runs', 'Plus', 'TOF_')
preprocess_map.addElement('Transmission Runs', 'CreateTransmissionWorkspaceAuto', 'TRANS_')
@@ -200,7 +200,7 @@ A processing algorithm can be created like this:
.. code-block:: python
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_')
+ alg = MantidQt.MantidWidgets.DataProcessor.ProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_')
This tells the widget that each rown in the table should be reduced with :ref:`algm-ReflectometryReductionOneAuto`, and
the output workspaces resulting from the reduction should be named with prefixes :literal:`IvsQ_binned_`, :literal:`Ivs_Q` and
@@ -210,18 +210,18 @@ blacklist of algorithms properties can be provided as a string of comma-separate
.. code-block:: python
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm('ReflectometryReductionOneAuto', 'IvsQ_binned_, IvsQ_, IvsLam_',
- 'InputWorkspace,'
- 'ThetaIn,'
- 'FirstTransmissionWorkspace,'
- 'SecondTransmissionWorkspace,'
- 'MomentumTransferMin,'
- 'MomentumTransferMax,'
- 'MomentumTransferStep,'
- 'ScaleFactor,'
- 'OutputWorkspaceBinned,'
- 'OutputWorkspace,'
- 'OutputWorkspaceWavelength,')
+ alg = MantidQt.MantidWidgets.DataProcessor.ProcessingAlgorithm('ReflectometryReductionOneAuto', 'IvsQ_binned_, IvsQ_, IvsLam_',
+ 'InputWorkspace,'
+ 'ThetaIn,'
+ 'FirstTransmissionWorkspace,'
+ 'SecondTransmissionWorkspace,'
+ 'MomentumTransferMin,'
+ 'MomentumTransferMax,'
+ 'MomentumTransferStep,'
+ 'ScaleFactor,'
+ 'OutputWorkspaceBinned,'
+ 'OutputWorkspace,'
+ 'OutputWorkspaceWavelength,')
The only effect of the blacklist is on the *Options* column, not in the reduction. This column uses a *HintingLineEdit* (a MantidWidget)
delegate to provide auto-completion functionality so that when users start typing in this column, they get a list of algorithm
@@ -299,7 +299,7 @@ algorithm is in this case :ref:`algm-Stitch1DMany`, and can be defined as:
.. code-block:: python
- post_alg = MantidQt.MantidWidgets.DataProcessorPostprocessingAlgorithm('Stitch1DMany', 'IvsQ_')
+ post_alg = MantidQt.MantidWidgets.DataProcessor.PostprocessingAlgorithm('Stitch1DMany', 'IvsQ_')
As with pre-processing and processing algorithms, a third parameter indicating the list of properties
to blacklist can be used. As with the pre-process map, you must add manually a hinting line edit
@@ -307,7 +307,7 @@ and link the post-processing black list to it, as this functionality is not avai
.. code-block:: python
- post_alg = MantidQt.MantidWidgets.DataProcessorPostprocessingAlgorithm('Stitch1DMany', 'IvsQ_', 'InputWorkspaces, OutputWorkspaces')
+ post_alg = MantidQt.MantidWidgets.DataProcessor.PostprocessingAlgorithm('Stitch1DMany', 'IvsQ_', 'InputWorkspaces, OutputWorkspaces')
.. note::
@@ -361,8 +361,8 @@ assuming that you don't need to pre-process and post-process groups of runs, the
// Constructor: no pre-processing, no post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor);
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor);
should become:
@@ -370,8 +370,8 @@ should become:
// Constructor: no pre-processing, no post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
const std::string &loader = "Load");
Then in the implementation, the following should be enough:
@@ -385,13 +385,13 @@ Then in the implementation, the following should be enough:
* @param loader :: The loading algorithm
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
const std::string &loader)
: GenericDataProcessorPresenter(
whitelist,
- std::map<std::string, DataProcessorPreprocessingAlgorithm>(),
- processor, DataProcessorPostprocessingAlgorithm(),
+ std::map<std::string, PreprocessingAlgorithm>(),
+ processor, PostprocessingAlgorithm(),
std::map<std::string, std::string>(), loader) {}
In addition, if you are using the widget in a Python interface, you will have to expose this
@@ -402,8 +402,8 @@ Assuming the example above, i.e. no pre-processing and no post-processing, the c
.. code-block:: c
// Constructor: no pre-processing, no post-processing
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorProcessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &,
+ const ProcessingAlgorithm &,
QWidget *parent);
should become:
@@ -411,8 +411,8 @@ should become:
.. code-block:: c
// Constructor: no pre-processing, no post-processing
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorProcessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &,
+ const ProcessingAlgorithm &,
const QString &loader,
QWidget *parent);
@@ -427,8 +427,8 @@ and then the implementation would be:
* @param parent :: The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &algorithm,
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &algorithm,
const QString &loader, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(whitelist,
@@ -447,8 +447,8 @@ above constructor:
#include "MantidQtMantidWidgets/DataProcessorUI/QDataProcessorWidget.h"
%End
public:
- QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
- const MantidQt::MantidWidgets::DataProcessorProcessingAlgorithm &,
+ QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
+ const MantidQt::MantidWidgets::DataProcessor::ProcessingAlgorithm &,
const QString &,
QWidget *parent );
...
@@ -573,7 +573,7 @@ the processing algorithm, that is, if the processing algorithm was created as:
.. code-block:: python
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_','')
+ alg = MantidQt.MantidWidgets.ProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_','')
the name of the first output workspace returned by the processing algorithm will start with prefix
:literal:`IvsQ_binned_`, the name of the second output workspace return by the algorithm will start with
@@ -607,7 +607,7 @@ If a post-processing algorithm is defined:
.. code-block:: python
- post_alg = MantidQt.MantidWidgets.DataProcessorPostprocessingAlgorithm('Stitch1DMany', 'stitched_', 'InputWorkspaces, OutputWorkspaces')
+ post_alg = MantidQt.MantidWidgets.DataProcessor.PostprocessingAlgorithm('Stitch1DMany', 'stitched_', 'InputWorkspaces, OutputWorkspaces')
the name of the post-processed workspace will start with prefix specified in the post-processing algorithm, stitched in this case,
plus the names of the reduced workspaces without their prefixes joined with "_". That is, in this example we would get a workspace
diff --git a/docs/source/interfaces/ISIS Reflectometry.rst b/docs/source/interfaces/ISIS Reflectometry.rst
index 986f1fde33c621b63f345ae54d1fb45d53eeb74a..59adf74a69c70886419c5d9382cfceea8c759c60 100644
--- a/docs/source/interfaces/ISIS Reflectometry.rst
+++ b/docs/source/interfaces/ISIS Reflectometry.rst
@@ -308,7 +308,7 @@ Columns
| dQ/Q | No | Contains the resolution used when rebinning |
| | | output workspaces. If left blank, this is |
| | | calculated for you using the |
-| | | CalculateResolution algorithm. This value is |
+| | | NRCalculateSlitResolution algorithm. This value is |
| | | negated so that Logarithmic binning can be |
| | | applied for the IvsQ workspace. |
| | | If you desire linear binning then you |
diff --git a/docs/source/interfaces/ISIS_SANS_v2.rst b/docs/source/interfaces/ISIS_SANS_v2.rst
new file mode 100644
index 0000000000000000000000000000000000000000..cfa5436abdc8190ad658522af871b4c42a0c03e3
--- /dev/null
+++ b/docs/source/interfaces/ISIS_SANS_v2.rst
@@ -0,0 +1,612 @@
+.. _ISIS_SANS_v2-ref:
+
+ISIS SANS v2
+============
+
+.. image:: ../images/sans_isis_v2_whole_gui.png
+ :align: right
+ :width: 800px
+
+.. contents:: Table of Contents
+ :local:
+
+Interface Overview
+------------------
+
+This interface is used to reduce ISIS SANS data for SANS2D, LOQ and LARMOR.
+The interface can be accessed from the main menu of MantidPlot, in *Interfaces → SANS → ISIS SANS v2 experimental*.
+This interface is intended as a gradual replacement for the old ISIS SANS
+interface. Note that it is not yet feature complete and subject to change.
+
+Runs
+----
+
+.. _Runs:
+
+The *Runs* tab is the ISIS SANS entry-point. It allows the user to specify the user file and
+batch file. Alternatively the user can set the data sets for reduction manually on the data table.
+In addition it allows the user to specify her preferred save settings (see more below). The actual
+parameters which are loaded from the user file are accessible from the sub-tabs on the Settings_ tab.
+
+Data Table
+^^^^^^^^^^
+
+.. _RunsDataTable:
+
+.. image:: ../images/sans_isis_v2_run_tab_data_table.png
+ :align: center
+ :width: 800px
+
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **1** | **Process** | If no individual row is selected in the data table, then this will start a reduction. |
+| | | In this case the user will be asked if she is sure that she wants to reduce all |
+| | | rows. If rows are selected, then only these will be processed. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **2** | **Pause** | Allows the user to pause a reduction, change her row selection and continue |
+| | | the reduction with possibly a different selection. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **3** | **Insert row after** | Adds a row after the currently selected row. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **4** | **Copy selected** | Creates a copy of the selected rows. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **5** | **Cut selected** | Cuts the selected rows. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **6** | **Paste selected** | Pastes rows from the clipboard. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **7** | **Clear selected** | Clears the entries from selected rows. |
+| | | It however does not the delete the rows themselves. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **8** | **Delete row** | Deletes a selected row. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **9** | **Select instrument** | Selects the instrument to use. Note that this setting is used to resolve run numbers. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **10**| **Options** | This column allows the user to provide row specific settings. Currently only |
+| | | **WavelengthMin** and **WavelengthMax** can be set here. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+
+
+Save Options
+^^^^^^^^^^^^
+
+.. image:: ../images/sans_isis_v2_run_tab_save_options.png
+ :align: center
+ :width: 300px
+
+
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **1** | **Save location** | This sets where the reduced data will be made available for the user. The user |
+| | | can select to have it only in memory (RAM) with the **Memory** option, saved out as |
+| | | a file with the **File** option or saved both to file and memory with the **Both** |
+| | | option. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **2** | **Save file formats** | Allows the user to specify the save file format for the reduced data. |
+| | | |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+| **3** | **Other** | The **zero error free** option ensures that zero error entries get artificially |
+| | | inflated when the data is saved to a file. This is beneficial if the data is to be |
+| | | loaded into other analysis software. |
+| | | The **Use optimizations** option will reuse already loaded data. This can speed up the |
+| | | data reduction considerably. It is recommended to have this option enabled. |
++-------+--------------------------+-----------------------------------------------------------------------------------------+
+
+Settings
+--------
+
+.. image:: ../images/sans_isis_v2_general_tab_whole.png
+ :align: right
+ :width: 800px
+
+.. _Settings:
+
+The Settings tab and its sub-tabs allow for manipulating and inspecting the reduction parameters which were
+initially set through loading a user file. Currently there are five sub-tabs:
+
+- **General, Wavelength, Scale, Event Slice, Sample** This tab contains settings which are not associated
+ with the other tabs. This includes settings regarding the general reduction, the wavelength conversion,
+ the absolute scaling of the data, event slicing and sample volume scaling.
+
+- **Mask** The mask tab contains the masking information. It displays the selected masks in the
+ familiar mask table.
+
+- **Adjustment** This tab contains settings which are required to generate the adjustment workspaces. This
+ includes information for the monitor normalization, transmission calculation, pixel-adjustment files and
+ wavelength-adjustment files.
+
+- **Q** This tab contains settings which are required for the conversion to momentum space.
+
+- **State Diagnostic** This tab is currently being made available on an experimental basis. The tab provides
+ insight into the actual settings which are being passed to the reduction algorithm. Once this interface
+ reaches maturity this tab should be removed.
+
+General, Wavelength, Scale, Event Slice, Sample
+^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
+
+The first tab contains settings which are not associated with the wider themes of the other tabs.
+
+General
+"""""""
+.. _General:
+
+.. image:: ../images/sans_isis_v2_general_tab_general.png
+ :align: right
+ :width: 800px
+
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+| **1** | **Reduction dimensionality** | Allows the user to choose either a 1D or 2D reduction |
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+| **2** | **Reduction mode** | The user can choose to either perform a reduction on the low angle bank (**LAB**), |
+| | | the high angle bank (**HAB**), on both (**Both**) or she can perform a merged (**Merged**). |
+| | | If a merged reduction is enabled, then further settings are required (see below). |
+| | | A merged reduction essentially means that the reduced result from the |
+| | | low angle bank and the high angle bank are stitched together. |
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+| **3** | **Merge scale** | Sets the scale of a merged reduction. If the **Fit** check-box is enabled, then this scale is|
+| | | being fitted. |
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+| **4** | **Merge shift** | Sets the shift of a merged reduction. If the **Fit** check-box is enabled, then this shift is|
+| | | being fitted. |
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+| **5** | **Merge custom q range** | Describes the q region which should be used to determine the merge parameters. |
++-------+------------------------------+----------------------------------------------------------------------------------------------+
+
+Event Slice
+"""""""""""
+.. _Event_Slice:
+
+.. image:: ../images/sans_isis_v2_general_tab_event_slice.png
+ :align: right
+ :width: 800px
+
+In case of data which was measured in event-mode, it is possible to perform
+time-of-flight slices of the data and reduce these separately. The input can be:
+
+- *start:step:stop* specifies time slices from a *start* value for the *stop* value
+ in steps of *step*.
+
+- *start-stop* which specifies a time slice from the *start* value to the *stop* value.
+
+- *>start* specifies a slice form the *start* value to the end of the data set.
+
+- *<stop* specifies a slice form the start of the data set to the *stop* value
+
+In addition it is possible to concatenate these specifications using comma-separation.
+An example would be *5-10,12:2:16,20-30*.
+
+
+Compatibility Mode
+""""""""""""""""""
+.. _Compatibility_Mode:
+
+.. image:: ../images/sans_isis_v2_general_tab_event_binning.png
+ :align: right
+ :width: 800px
+
+The old SANS GUI allows event-mode data as input but will convert it early on
+into histogram-mode data, either using the time-of-flight binning parameters
+specified by the user or by using the binning inherent to the monitors. The new
+SANS GUI can handle event-mode data up to the conversion to momentum transfer. This leads
+to more precise results. However if the user wishes to compare the results between
+the two GUIs she is advised to enable the compatibility mode. This will ensure
+that event-mode data will be converted to histogram-mode data early on, even
+in the new reduction framework and will lead to the same results as one
+expects from the old GUI.
+
+If the check-box is enabled, then the time-of-flight binning parameters will be
+taken from the *Event binning* input. If this is not set, then the binning
+parameters will be taken from the monitor workspace.
+
+Wavelength
+""""""""""
+.. _Wavelength:
+
+.. image:: ../images/sans_isis_v2_general_tab_wavelength_conversion.png
+ :align: right
+ :width: 800px
+
+The settings provide the binning for the conversion from
+time-of-flight units to wavelength units. Note that all units are Angstrom.
+
++-------+---------------+------------------------------------------+
+| **1** | **Min** | The lower bound of the wavelength bins. |
++-------+---------------+------------------------------------------+
+| **2** | **Max** | The upper bound of the wavelength bins. |
++-------+---------------+------------------------------------------+
+| **3** | **Step** | The step of the wavelength bins. |
++-------+---------------+------------------------------------------+
+| **4** | **Step type** | The step type of the wavelength bins, |
+| | | i.e. linear, logarithmic or variable. |
++-------+---------------+------------------------------------------+
+
+Scale and Sample
+""""""""""""""""
+.. _Scale_and_Sample:
+
+.. image:: ../images/sans_isis_v2_general_tab_sample.png
+ :align: right
+ :width: 800px
+
+This grouping allows the user to specify the absolute scale and sample geometry
+information. Note that the geometry information is in millimetres.
+
++-------+--------------------+------------------------------------------------------------------+
+| **1** | **Absolute scale** | The absolute, dimensionless scale factor. |
++-------+--------------------+------------------------------------------------------------------+
+| **2** | **Geometry** | A geometry selection. *Read from file* will use the settings |
+| | | that are stored in the data file. The other options are |
+| | | *Cylinder AxisUp*, *Cuboid* and *Cylinder AxisAlong*. |
++-------+--------------------+------------------------------------------------------------------+
+| **3** | **Height** | The sample height. If this is not specified, |
+| | | the information from the file will be used. |
++-------+--------------------+------------------------------------------------------------------+
+| **4** | **Width** | The sample width. If this is not specified, |
+| | | the information from the file will be used. |
++-------+--------------------+------------------------------------------------------------------+
+| **5** | **Thickness** | The sample thickness. If this is not specified, |
+| | | the information from the file will be used. |
++-------+--------------------+------------------------------------------------------------------+
+| **6** | **Z offset** | The sample offset. |
++-------+--------------------+------------------------------------------------------------------+
+
+
+Mask
+^^^^
+.. _Mask:
+
+.. image:: ../images/sans_isis_v2_general_tab_whole.png
+ :align: right
+ :width: 800px
+
+The elements on this tab relate to settings which are used during the masking step.
+
+
+Masking information
+"""""""""""""""""""
+.. _Masking_information:
+
+.. image:: ../images/sans_isis_v2_masking_tab_masking_table.png
+ :align: right
+ :width: 400px
+
+The masking table shows detailed information about the masks which will be applied.
+These masks include bin masks, cylinder masks, mask files, spectrum masks, angle masks
+and masks for the beam stop. If as mask is applied only to a particular detector
+then this will be shown in the masking table. Note that data needs to be specified
+in order to see the masking information. Also note if a manual change to the
+data table or other settings, requires you to update the row selection by
+pressing *Update Rows*.
+
++-------+-----------------+------------------------------------------------------------------+
+| **1** | **Table** | The masking table which displays all masks which will be applied |
+| | | to the data set. |
++-------+-----------------+------------------------------------------------------------------+
+| **2** | **Select row** | The masking information is shown for a particular data set in |
+| | | in the data table. The information for the selected row is |
+| | | shown. |
++-------+-----------------+------------------------------------------------------------------+
+| **3** | **Update rows** | Press this button if you have manually updated the data table. |
+| | | These changes are currently not picked up automatically. |
++-------+-----------------+------------------------------------------------------------------+
+
+Phi limit
+"""""""""
+.. _Phi_Limit:
+
+.. image:: ../images/sans_isis_v2_masking_tab_phi.png
+ :align: right
+ :width: 400px
+
+This group allows the user to specify an angle (pizza-slice) mask. The angles
+are in degree.
+
++-------+-----------------+---------------------------------------+
+| **1** | **Start angle** | The starting angle. |
++-------+-----------------+---------------------------------------+
+| **2** | **Stop angle** | The stop angle. |
++-------+-----------------+---------------------------------------+
+| **3** | **Use mirror** | If the mirror sector should be used. |
++-------+-----------------+---------------------------------------+
+
+
+Radius limit
+""""""""""""
+.. _Radius_Limit:
+
+.. image:: ../images/sans_isis_v2_masking_tab_radius.png
+ :align: right
+ :width: 400px
+
+These settings allow for a hollow cylinder mask. The *Min* entry is the inner
+radius and the *Max* entry is the outer radius of the
+hollow cylinder.
+
+
+
+Adjustment
+^^^^^^^^^^
+.. _Adjustment:
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_whole.png
+ :align: right
+ :width: 800px
+
+This tab provides settings which are required for the creation of the adjustment
+workspaces. These adjustments include monitor normalization, transmission
+calculation and the application of adjustment files.
+
+Monitor normalization
+"""""""""""""""""""""
+.. _Monitor_Normalization:
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_monitor_normalization.png
+ :align: right
+ :width: 800px
+
++-------+------------------------------+--------------------------------------------------------+
+| **1** | **Incident monitor** | The incident monitor spectrum number. |
++-------+------------------------------+--------------------------------------------------------+
+| **2** | **Use interpolating rebin** | Check if an interpolating rebin should be used instead |
+| | | of a normal rebin. |
++-------+------------------------------+--------------------------------------------------------+
+
+Transmission calculation
+""""""""""""""""""""""""
+.. _Transmission_Calculation:
+
+The main inputs for the transmission calculation are concerned with the incident monitor,
+the monitors/detectors which measure the transmission and the fit parameters for the
+transmission calculation.
+
+Incident monitor
+~~~~~~~~~~~~~~~~
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_monitor_normalization.png
+ :align: right
+ :width: 800px
+
++-------+------------------------------+--------------------------------------------------------+
+| **1** | **Incident monitor** | The incident monitor spectrum number. |
++-------+------------------------------+--------------------------------------------------------+
+| **2** | **Use interpolating rebin** | Check if an interpolating rebin should be used instead |
+| | | of a normal rebin. |
++-------+------------------------------+--------------------------------------------------------+
+
+Transmission targets
+~~~~~~~~~~~~~~~~~~~~
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_transmission_monitor.png
+ :align: right
+ :width: 800px
+
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **1** | **Transmission targets** | This combo box allows the user to select the transmission target. *Transmission monitor* will |
+| | | take the transmission data from the monitor which has been selected in the |
+| | | **Transmission monitor** field. *Region of interest on bank* will take the transmission data |
+| | | from the fields **Radius**, **ROI files** and **Mask files**. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **2** | **Transmission monitor** | The monitor which will be used for the transmission calculation. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **3** | **M4 shift** | An optional shift for the M4 monitor. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **4** | **Radius** | This will select all detectors in the specified radius around the beam centre to contribute |
+| | | to the transmission data. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **5** | **ROI files** | A comma-separated list of paths to ROI files. The detectors specified in the ROI files |
+| | | contribute to the transmission data. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **6** | **Mask files** | A comma-separated list of paths to Mask files. The detectors specified in the Mask files |
+| | | are excluded from the transmission data. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+
+Additional information:
+
+As mentioned above the transmission target can be a monitor (e.g. M3 or M4) or a region of interest on the detector bank itself.
+If the preferred target is a selection of pixels on the detector bank itself, then the user can specify a region of interest.
+The pixels in the region of interest contribute to the transmission calculation. There are several ways to specify the region of interest:
+
+- Radius: A radius in mm with its centre at the beam centre can be specified. Pixels in this radius are added to the region of interest.
+- A list of Region-Of-Interest files (ROI files) can be specified. The ROI file is equivalent to a mask file created in the Instrument View Window.
+
+The combination of both methods can also be specified. This results in the union of all relevant pixels. In order to avoid certain areas on the detector,
+a list of Mask-files can be specified. The Mask file is equivalent to a mask file created in the Instrument View Window.
+Note that this mask file is only used for the transmission calculation.
+
+The most general selection on the detector bank will be a specified radius, a list of ROI files and a list of Mask files. Note that individual
+pixels which are specified by either the radius setting or a ROI file and at the same time by the Mask file, will not be considered
+for the transmission calculation.
+
+The following example/image should help to clarify the selection process:
+
+.. image:: ../images/sans_isis_v2_trans_calc_example.png
+ :align: right
+ :width: 400
+
+The radius selection (red) picks pixels 8, 9, 13 and14. The ROI files (red) select pixels 9, 10, 11, 12, 14, 15, 16 and 17.
+This means pixels 8 to 17 are selected. The Mask file (black) selects pixels 14, 15, 19, 20, 24 and 25.
+This means that pixels 14 and 15 are dropped and pixels 8, 9, 10, 11, 12, 13, 16 and 17 are being used in the final
+transmission calculation.
+
+
+Fit settings
+~~~~~~~~~~~~
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_transmission_fit.png
+ :align: right
+ :width: 800px
+
++-------+-----------------+---------------------------------------+-----------------------------------------------------------------+
+| **1** | **Fit selection** | If *Both* is selected, then the Sample and Can will have the same fit settings applied to them.|
+| | | If *Separate* is selected, then the Sample and Can will have different fit settings applied |
+| | | to them. In this case a second row with fit options will appear. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **2** | **Use fit** | If fitting should be used for the transmission calculation. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **3** | **Fit type** | The type of fitting for the transmission calculation |
+| | | This can be *Linear*, *Logarithmic* or *Polynomial*. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **4** | **Polynomal order** | If *Polynomial* has been chosen in the **Fit type** input, then the polynomial order of the |
+| | | fit can be set here. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+| **5** | **Custom wavelength** | A custom wavelength range for the fit can be specified here. |
++-------+--------------------------+------------------------------------------------------------------------------------------------+
+
+
+Adjustment files
+~~~~~~~~~~~~~~~~
+
+.. image:: ../images/sans_isis_v2_adjustment_tab_files.png
+ :align: right
+ :width: 800px
+
++-------+---------------------------------+------------------------------------------------------------------------------------------------+
+| **1** | **Pixel adjustment det 1** | File name of the pixel adjustment file for the first detector. |
+| | | The file to be loaded is a 'flat cell' (flood source) calibration file containing the relative |
+| | | efficiency of individual detector pixels. Note that the numbers in this file include solid |
+| | | angle corrections for the sample-detector distance at which the flood field was measured. |
+| | | On SANS2D this flood field data is then rescaled for whatever sample-detector distance |
+| | | the experimental data was collected at. This file must be in the RKH format and the |
+| | | first column a spectrum number. |
++-------+---------------------------------+------------------------------------------------------------------------------------------------+
+| **2** | **Pixel adjustment det 2** | File name of the pixel adjustment file for the second detector. See more information above. |
++-------+---------------------------------+------------------------------------------------------------------------------------------------+
+| **3** | **Wavelength adjustment det 1** | File name of the wavelength adjustment file for the first detector. |
+| | | The content specifies the detector efficiency ratio vs. wavelength. |
+| | | These files must be in the RKH format. |
++-------+---------------------------------+------------------------------------------------------------------------------------------------+
+| **4** | **Wavelength adjustment det 2** | File name of the wavelength adjustment file for the second detector. |
+| | | See more information above. |
++-------+---------------------------------+------------------------------------------------------------------------------------------------+
+
+Q
+^
+.. _Q:
+
+.. image:: ../images/sans_isis_v2_q_tab_whole.png
+ :align: right
+ :width: 800px
+
+The elements on this tab relate to settings which are used during the conversion to momentum transfer step of the reduction.
+
+Q limits
+""""""""
+.. _Q_Limits:
+
+.. image:: ../images/sans_isis_v2_q_tab_q_limits.png
+ :align: right
+ :width: 800px
+
+The entries here allow for the providing the binning settings during the momentum transfer conversion. In the
+case of a 1D reduction the user can specify standard bin information. In the case of a 2D reduction the user can only
+specify the maximal momentum transfer value, as well as the step size and the step type.
+
++-------+-----------------+------------------------------------------------------------------------------------------------+
+| **1** | **1D settings** | The 1D settings will be used if the reduction dimensionality has been set to 1D. The user can |
+| | | specify the start, stop, step size and step type of the momentum transfer bins. |
++-------+-----------------+------------------------------------------------------------------------------------------------+
+| **2** | **2D settings** | The 2D settings will be used if the reduction dimensionality has been set to 2D. The user can |
+| | | specify the stop value, step size and step type of the momentum transfer bins. The start |
+| | | value is 0. Note that the binning is same for both dimensions. |
++-------+-----------------+------------------------------------------------------------------------------------------------+
+
+
+Gravity correction
+""""""""""""""""""
+.. _Gravity_Correction:
+
+.. image:: ../images/sans_isis_v2_q_tab_gravity_correction.png
+ :align: right
+ :width: 800px
+
+Enabling the check-box will enable the gravity correction. In this case an additional length can be specified.
+
+
+Q Resolution
+""""""""""""
+.. _Q_Resolution:
+
+.. image:: ../images/sans_isis_v2_q_tab_q_resolution.png
+ :align: right
+ :width: 800px
+
+If you want to perform a momentum transfer resolution calculation then enable the check-box of this group.
+For detailed information please refer to :ref:`TOFSANSResolutionByPixel <algm-TOFSANSResolutionByPixel>`.
+
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **1** | **Aperture type** | The aperture for the momentum transfer resolution calculation can either be *Circular* or |
+| | | *Rectangular*. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **2** | **Settings for rectangular aperture** | If the *Rectangular* aperture has been selected, then fields *H1* (source height), *W1* (source|
+| | | width), *H2* (sample height) and *W2* (sample width) will have to be provided. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **3** | **Settings for circular aperture** | If the *Circular* aperture has been selected, then fields *A1* (source diameter) and *A2* |
+| | | (sample diameter) will have to be provided. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **4** | **Collimation length** | The collimation length. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **5** | **Moderator file** | This file contains the moderator time spread as a function of wavelength. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+| **6** | **Delta r** | The virtual ring width on the detector. |
++-------+---------------------------------------+------------------------------------------------------------------------------------------------+
+
+
+State Diagnostic
+^^^^^^^^^^^^^^^^
+.. _State_Diagnostic:
+
+.. image:: ../images/sans_isis_v2_state_diagnostic.png
+ :align: right
+ :width: 800px
+
+This tab only exits for diagnostic purposes and might be removed (or hidden) when the GUI has
+reached maturity. The interface allows instrument scientists and developers to inspect all settings in one place and
+check for potential inconsistencies. The settings are presented in a tree view which reflects the hierarchical nature
+of the SANS state implementation of the reduction back-end.
+
+To inspect the reduction settings for a particular data set it is necessary to press the *Update rows* button to ensure
+that the most recent setting changes have been captured. Then the desired row can be selected from the drop-down
+menu. The result will be displayed in the tree view.
+
+Note that the settings are logically grouped by significant stages in the reduction. On a high level these are:
+
++-------------------+------------------------------------------------------------------------------------------------+
+| **adjustment** | This group has four sub-groups: *calculate_transmission*, *normalize_to_monitor*, |
+| | *wavelength_and_pixel_adjustment* and *wide_angle_correction*. |
+| | *calculate_transmission* contains information regarding the transmission calculation, e.g. |
+| | the transmission monitor. |
+| | *normalize_to_monitor* contains information regarding the monitor normalization, e.g. |
+| | the incident monitor. |
+| | *wavelength_and_pixel_adjustment* contains information required to generate the wavelength- and|
+| | pixel-adjustment workspaces, e.g. the adjustment files. |
+| | *wide_angle_correction* contains information if the wide angle correction should be used. |
++-------------------+------------------------------------------------------------------------------------------------+
+| **compatibility** | This group contains information for the compatibility mode, e.g. the time-of-flight binning. |
++-------------------+------------------------------------------------------------------------------------------------+
+| **convert_to_q** | This group contains information for the the momentum transfer conversion, e.g. the momentum |
+| | transfer binning information. |
++-------------------+------------------------------------------------------------------------------------------------+
+| **data** | This group contains information about the data which is to be reduced. |
++-------------------+------------------------------------------------------------------------------------------------+
+| **mask** | This group contains information about masking, e.g. the mask files |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **move** | This group contains information about the position of the instrument. This is for example used |
+| | when a data set is being loaded. |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **reduction** | This group contains general reduction information, e.g. the reduction dimensionality. |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **save** | This group contains information about how the data should be saved, e.g. the file formats. |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **scale** | This group contains information about the absolute scaling and the volume scaling of the data |
+| | set. This means it contains the information for the sample geometry. |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **slice** | This group contains information about event slicing. |
++-------------------+---------------------------------------+--------------------------------------------------------+
+| **wavelength** | This group contains information about the wavelength conversion. |
++-------------------+---------------------------+--------------------------------------------------------------------+
+
+
+Feedback & Comments
+-------------------
+
+If you have any questions or comments about this interface or this help page, please
+contact the `Mantid team <http://www.mantidproject.org/Contact>`__.
+
+.. categories:: Interfaces SANS
diff --git a/docs/source/release/v3.11.0/diffraction.rst b/docs/source/release/v3.11.0/diffraction.rst
index 3bd30339ef17998c433e9410ed1cb45a874d428f..30d3a35f52e8e631249a7f6bcd6382990f06bab5 100644
--- a/docs/source/release/v3.11.0/diffraction.rst
+++ b/docs/source/release/v3.11.0/diffraction.rst
@@ -9,6 +9,7 @@ Crystal Improvements
--------------------
- :ref:`SCDCalibratePanels <algm-SCDCalibratePanels>` now adjusts the sample offsets and has an option to optimize the initial time-of-flight for better calibration of single crystal data.
+- :ref:`SCDCalibratePanels <algm-SCDCalibratePanels>` has CalibrateSnapPanels option to calibrate 3X3 banks of SNAP instrument for single crystal data.
- :ref:`LoadIsawDetCal <algm-LoadIsawDetCal>` has not correctly aligned the detectors for SNAP since release 3.9. This bug that only impacted SNAP has been fixed.
Engineering Diffraction
@@ -22,9 +23,9 @@ Powder Diffraction
- :ref:`LoadILLDiffraction <algm-LoadILLDiffraction>` now supports loading D2B data with detector scans. The D2B IDF has been updated, as previously it contained some errors in the positions of the tubes and size of the pixels.
- :ref:`AlignAndFocusPowder <algm-AlignAndFocusPowder>` now correctly supports overloading the grouping file in the presence of a masking workspace.
- :ref:`PDCalibration <algm-PDCalibration>` has changed how it calculates constants from peak positions to use a simplex optimization rather than Gauss-Markov method.
+- :ref:`ResampleX <algm-ResampleX>` has a bug fix in how it automatically determines the data range for a workspace with multiple spectra.
- The powder diffraction GUI has had numerous bugfixes and now has an option to override the detector grouping.
-
Single Crystal Diffraction
--------------------------
@@ -33,6 +34,10 @@ Single Crystal Diffraction
- :ref:`FindPeaksMD <algm-FindPeaksMD>` has been modified to only add peaks to runs that contributed to that peak. This is a lot faster when multiple runs are in the same MDworkspace.
- New algorithm :ref:`MDNormSCDPreprocessIncoherent <algm-MDNormSCDPreprocessIncoherent>` creates the Solid Angle and Flux workspace from Vanadium data for MDNormSCD
+Powder Diffraction
+------------------
+
+- New set of routines for HRPD (:ref:`isis-powder-diffraction-hrpd-ref`), designed to replace and improve on the old CRI scripts
Imaging
-------
@@ -43,3 +48,4 @@ Imaging
Full list of `diffraction <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.11%22+is%3Amerged+label%3A%22Component%3A+Diffraction%22>`_
and
`imaging <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.11%22+is%3Amerged+label%3A%22Component%3A+Imaging%22>`_ changes on GitHub.
+
diff --git a/docs/source/release/v3.11.0/direct_inelastic.rst b/docs/source/release/v3.11.0/direct_inelastic.rst
index 280318585a6f3e8e6c87fa81e3bef50d876fb08d..ab2bcc4e611edd3ec0abcac2e8762c66e42b9a69 100644
--- a/docs/source/release/v3.11.0/direct_inelastic.rst
+++ b/docs/source/release/v3.11.0/direct_inelastic.rst
@@ -5,6 +5,15 @@ Direct Inelastic Changes
.. contents:: Table of Contents
:local:
+New features
+------------
+
+Algorithms
+##########
+
+- Data reduction workflow algorithms for ILL's TOF spectrometers IN4, IN5 and IN6 have been added to Mantid. A guide to the six new algorithms is provided :ref:`here <DirectILL>`.
+- :ref:`algm-DetectorEfficiencyCorUser` now accepts component-specific efficiency correction formulas.
+
`Full list of changes on GitHub <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.11%22+is%3Amerged+label%3A%22Component%3A+Direct+Inelastic%22>`_
Algorithms
diff --git a/docs/source/release/v3.11.0/framework.rst b/docs/source/release/v3.11.0/framework.rst
index 41a8ebd545b2cbf46b786c21ef8458e5b289f01e..5be937e375acbb2940c4715031beb64cf05694da 100644
--- a/docs/source/release/v3.11.0/framework.rst
+++ b/docs/source/release/v3.11.0/framework.rst
@@ -23,11 +23,15 @@ New
- :ref:`ConjoinXRuns <algm-ConjoinXRuns>` performs concatenation of the workspaces into a single one by handling the sample logs merging as in :ref:`MergeRuns <algm-MergeRuns>`.
- :ref:`LoadSESANS <algm-LoadSESANS>` Loading SESANS data to a MatrixWorkspace is now supported.
- :ref:`SaveSESANS <algm-SaveSESANS>` Saving a workspace using the SESANS format is now supported.
-- :ref:`PaddingAndApodization <algm-PaddingAndApodization-v1>` a new algorithm for padding data and adding an apodization function.
+- :ref:`PaddingAndApodization <algm-PaddingAndApodization-v1>` a new algorithm for padding data and adding an apodization function.
+- :ref:`algm-IntegrateEPP` integrates a workspace around the elastic peak positions given in an EPP table.
Improved
-
+- :ref:`ConvertSpectrumAxis <algm-ConvertSpectrumAxis-v2>` is extended to support conversion to elastic d-spacing.
+- :ref:`SumSpectra <algm-SumSpectra-v1>`: Fixed a bug where a wrong fallback value would be used in case of invalid values being set for min/max worspace index, and improved input validation for those properties.
+- :ref:`SetUncertainties <algm-SetUncertainties-v1>` now provides a "custom" mode, which lets the user specify both an arbitrary error value whose occurences are to be replaced in the input workspace, as well as the value to replace it with.
+- :ref:`LoadBBY <algm-LoadBBY-v1>` is now better at handling sample information.
- :ref:`ConjoinWorkspaces <algm-ConjoinWorkspaces-v1>` provides option to change Y axis unit and label.
- :ref:`FilterEvents <algm-FilterEvents-v1>` has refactored on splitting sample logs.
- :ref:`FilterEvents <algm-FilterEvents-v1>` now copies units for the logs in the filtered workspaces
@@ -44,6 +48,7 @@ Improved
- :ref:`algm-MonteCarloAbsorption` now supports approximating the input instrument with a sparse grid of detectors enabling quick simulation of huge pixel arrays. Also, the NumberOfWavelengthPoints input property is now validated more rigorously.
- :ref:`SaveGSS <algm-SaveGSS-v1>` now supports saving in the legacy GSAS ALT format. This is useful for older tools however the default format FXYE should be used whenever possible.
- :ref:`SaveMDWorkspaceToVTK <algm-SaveMDWorkspaceToVTK-v1>` and :ref:`LoadVTK <algm-LoadVTK-v1>` algorithms are now accessible from python.
+- :ref:`MergeRuns <algm-MergeRuns-v1>` will now merge workspaces with detector scans.
- :ref:`SetUncertainties <algm-SetUncertainties-v1>` now provides a "custom" mode, which lets the user specify both an arbitrary error value whose occurences are to be replaced in the input workspace, as well as the value to replace it with.
- :ref:`SimpleShapeMonteCarloAbsorption <algm-SimpleShapeMonteCarloAbsorption>` has been added to simplify sample environment inputs for MonteCarloAbsorption
- :ref:`SumSpectra <algm-SumSpectra-v1>`: Fixed a bug where a wrong fallback value would be used in case of invalid values being set for min/max worspace index, and improved input validation for those properties.
@@ -84,6 +89,7 @@ Bug fixes
#########
- :ref:`CubicSpline <func-CubicSpline>` is fixed to sort the y-values and x-values correctly.
+- Fix displayed type name for optional boolean properties.
Improved
########
diff --git a/docs/source/release/v3.11.0/muon.rst b/docs/source/release/v3.11.0/muon.rst
index 5e0f560494dfd4f00c11e95d4e7050130f62b26b..9bad300df21302b9f578f63911fe757ca098070d 100644
--- a/docs/source/release/v3.11.0/muon.rst
+++ b/docs/source/release/v3.11.0/muon.rst
@@ -7,6 +7,7 @@ Muon Analysis
Interfaces
----------
+- Added the Frequency Domain Analysis GUI. At present it is only able to transform data from real space to frequency space.
- Updated the TF asymmetry fit. It now works with multiple fitting.
- Moved the TF Asymmetry checkbox to the data analysis tab.
diff --git a/docs/source/release/v3.11.0/reflectometry.rst b/docs/source/release/v3.11.0/reflectometry.rst
index 709724662d82a02a4c0ec5b541ecb9df2a852a49..0a1a1c9bf623940f588b86bf0908b7658204149e 100644
--- a/docs/source/release/v3.11.0/reflectometry.rst
+++ b/docs/source/release/v3.11.0/reflectometry.rst
@@ -9,9 +9,23 @@ Algorithms
----------
- The following bugs have been fixed in the summation in Q functionality in :ref:`algm-ReflectometryReductionOne`:
+
- the incorrect angle was being used in the final conversion to Q in the divergent beam case
- the input was being cropped, causing loss of counts
+ - summation in Q was giving incorrect results for a point detector
+
- A new property, ``Diagnostics``, has been added to :ref:`algm-ReflectometryReductionOne` to allow the output of additional interim workspaces for debug purposes.
+- :ref:`algm-LoadILLReflectometry` has been fixed to correctly load D17 files acquired in the TOF mode.
+
+- A new version of :ref:`SpecularReflectionCalculateTheta <algm-SpecularReflectionCalculateTheta>` (version 2) has been added which works with detectors at :math:`2\theta`. Version 1 works with detectors at :math:`\theta`.
+
+- The following changes have been made to :ref:`CalculateResolution <algm-NRCalculateSlitResolution>`:
+
+ - The algorithm has been renamed to :ref:`algm-NRCalculateSlitResolution` as this algorithm is specific to neutron reflectometry, and the resolution it calculates is the slit resolution.
+ - Some errors in the resolution calculation have been fixed. Note that this affects the Q binning in the results of :ref:`ReflectometryReductonOneAuto <algm-ReflectometryReductionOneAuto>` (versions 1 and 2) and :ref:`ReflectometryReductionOne <algm-ReflectometryReductionOne>` (version 1 only).
+ - The ``TwoThetaLogName`` property has been replaced by ``ThetaLogName``. This still takes ``Theta`` as the default log name, which was causing confusion before because it was being used as two theta. Is is now being used as theta, as the new property name suggests.
+ - The output property ``TwoThetaOut`` has been removed because it is not useful. The algorithm now returns a single value which is the resolution.
+
Reflectometry Reduction Interface
---------------------------------
diff --git a/docs/source/release/v3.11.0/sans.rst b/docs/source/release/v3.11.0/sans.rst
index cdcd6e4947a919860b66b08a427bca65a05aaafd..8b75217d5b181bbfae9442a2004f7e52485d5a15 100644
--- a/docs/source/release/v3.11.0/sans.rst
+++ b/docs/source/release/v3.11.0/sans.rst
@@ -16,6 +16,9 @@ Bug Fixes
- Displaying the masked workspace in the mask tab now makes sure that the masks are displayed in a grey color.
-|
+EQSANS
+------
+
+- Following hardware changes in the instrument, sample and detector offsets were added as parameters of the reduction.
`Full list of changes on github <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.11%22+is%3Amerged+label%3A%22Component%3A+SANS%22>`__
diff --git a/docs/source/release/v3.11.0/ui.rst b/docs/source/release/v3.11.0/ui.rst
index 0b4d747cd22a995632729aa1e3eafdbd2bbab7dd..ceb51ce3fc0d35dc730611965bed4e6e1ca9772a 100644
--- a/docs/source/release/v3.11.0/ui.rst
+++ b/docs/source/release/v3.11.0/ui.rst
@@ -51,6 +51,7 @@ Custom Interfaces
Bugs Resolved
-------------
- Fixed a bug causing table windows with string values to appear truncated if the string contained a space.
+- Fixed a bug where setting a table column's plot type would not be saved to the workspace correctly.
SliceViewer Improvements
------------------------
diff --git a/docs/source/release/v3.9.0/reflectometry.rst b/docs/source/release/v3.9.0/reflectometry.rst
index d6bca92d0e0619dcb0d2d16c89ddd0683fb94311..a5780fe19adfad3e926df431cc7fb5324ea76375 100644
--- a/docs/source/release/v3.9.0/reflectometry.rst
+++ b/docs/source/release/v3.9.0/reflectometry.rst
@@ -35,7 +35,7 @@ Algorithms
* :ref:`algm-ReflectometryReductionOneAuto` now outputs three workspaces: a workspace in wavelength, a workspace in Q with native binning,
and a rebinned and scaled workspace in Q. The latter is rebinned according to ``MomentumTransferMin``, ``MomentumTransferMax``
and ``MomentumTransferStep``. If these are not provided, the algorithm will attempt to determine the bin width
- running :ref:`algm-CalculateResolution`. When this is not possible, the rebinning will not take place.
+ running `CalculateResolution <http://docs.mantidproject.org/v3.9.0/algorithms/CalculateResolution-v1.html>`. When this is not possible, the rebinning will not take place.
* :ref:`algm-Stitch1D` documentation has been improved, it now includes a workflow diagram illustrating
the different steps in the calculation and a note about how errors are propagated.
diff --git a/docs/source/techniques/DirectILL.rst b/docs/source/techniques/DirectILL.rst
new file mode 100644
index 0000000000000000000000000000000000000000..e518fbde52abc29f5f344501714749de94ed8b4b
--- /dev/null
+++ b/docs/source/techniques/DirectILL.rst
@@ -0,0 +1,700 @@
+.. _DirectILL:
+
+====================================================
+Data reduction for ILL's direct geometry instruments
+====================================================
+
+.. contents:: Table of contents
+ :local:
+
+There are six workflow algorithms supporting data reduction at ILL's time-of-flight instruments. These algorithms are:
+
+:ref:`algm-DirectILLCollectData`
+ Loads data from disk and applies some simple reduction steps. The starting point of all reductions, as most of the other DirectILL algorithms expect their input data to originate from here.
+
+:ref:`algm-DirectILLReduction`
+ Does the actual reduction and produces the final :math:`S(q,\omega)`.
+
+:ref:`algm-DirectILLIntegrateVanadium`
+ Integrates a calibration workspace.
+
+:ref:`algm-DirectILLDiagnostics`
+ Provides a masking workspace to remove detectors (faulty or otherwise) from the reduction.
+
+:ref:`algm-DirectILLSelfShielding`
+ Calculates absorption corrections for usage with :ref:`algm-DirectILLApplySelfShielding`.
+
+:ref:`algm-DirectILLApplySelfShielding`
+ Applies absorption corrections and subtracts an empty container measurement.
+
+The algorithms can be used as flexible building blocks in Python scripts. Not all of them need to be necessarily used in a reduction: the simplest script could call :ref:`algm-DirectILLCollectData` and :ref:`algm-DirectILLReduction` only.
+
+Together with the other algorithms and services provided by the Mantid framework, the reduction algorithms can handle a great number of reduction scenarios. If this proves insufficient, however, the algorithms can be accessed using Python. Before making modifications it is recommended to copy the source files and rename the algorithms as not to break the original behavior.
+
+This document tries to give an overview on how the algorithms work together via Python examples. Please refer to the algorithm documentation for details of each individual algorithm.
+
+Reduction basics
+================
+
+A very basic reduction would include a vanadium reference and a sample and follow the steps:
+
+#. Load vanadium data.
+
+#. Integrate vanadium.
+
+#. Run diagnostics.
+
+ * Generally, this step should not be skipped even if no actual diagnostics were performed, as :ref:`algm-DirectILLDiagnostics` may create a default mask for the instrument. This is the case of IN5, for example, where the pixels at the detector tube ends are masked.
+
+#. Load sample data.
+
+#. Reduce the data applying vanadium calibration coefficients and diagnostics mask.
+
+These steps would translate to something like the following simple Python script:
+
+.. code-block:: python
+
+ # Add a temporary data search directory.
+ mantid.config.appendDataSearchDir('/data/')
+
+ # Vanadium
+ DirectILLCollectData(
+ Run='0100:0109',
+ OutputWorkspace='vanadium',
+ OutputEPPWorkspace='vanadium-epps', # Elastic peak positions.
+ OutputRawWorkspace='vanadium-raw' # 'Raw' data for diagnostics.
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='vanadium',
+ OutputWorkspace='integrated',
+ EPPWorkspace='vanadium-epps'
+ )
+
+ DirectILLDiagnostics(
+ InputWorkspace='vanadium-raw',
+ OutputWorkspace='diagnostics',
+ EPPWorkspace='vanadium-epps',
+ RawWorkspace='vanadium-raw'
+ )
+
+ # Sample
+ DirectILLCollectData(
+ Run='0201, 0205, 0209-0210',
+ OutputWorkspace='sample'
+ )
+
+ DirectILLReduction(
+ InputWorkspace='sample',
+ OutputWorkspace='SofQW',
+ IntegratedVanadiumWorkspace='integrated'
+ DiagnosticsWorkspace='diagnostics'
+ )
+
+Connecting inputs and outputs
+=============================
+
+Every ``DirectILL`` algorithm has an *OutputWorkspace* property which provides the main output workspace. Additionally, the algorithms may provide optional output workspaces to be used with other algorithms or for reporting/debugging purposes. The linking of outputs to inputs is an important feature of the ``DirectILL`` algorithms and allows for great flexibility in the reduction. An example of the usage of these optional output workspaces is the *OutputEPPWorkspace* which in the vanadium case above is needed in the integration and diagnostics steps:
+
+.. code-block:: python
+
+ ...
+ # Vanadium
+ DirectILLCollectData(
+ ...
+ OutputEPPWorkspace='vanadium-epps' # This workspace...
+ )
+ DirectILLIntegrateVanadium(
+ ...
+ EPPWorkspace='vanadium-epps' # ...is needed here...
+ )
+ DirectILLDiagnostics(
+ ...
+ EPPWorkspace='vanadium-epps' # ...and here.
+ )
+ ...
+
+As shown above, these optional outputs are sometimes named similarly the corresponding inputs giving a hint were they are supposed to be used.
+
+Self-shielding corrections
+==========================
+
+A more complete reduction example would include corrections for self-shielding:
+
+#. Load vanadium data.
+
+#. Integrate vanadium.
+
+#. Run diagnostics.
+
+#. Load sample data.
+
+#. Calculate absorption corrections for the sample.
+
+ * This may be a time consuming step. Fortunately, the resulting correction factors can be reused as many times as needed.
+
+ * Sample and beam parameters can be set using :ref:`algm-SetSample` and :ref:`algm-SetBeam`.
+
+#. Apply the corrections.
+
+#. Reduce the data applying vanadium calibration coefficients and diagnostics mask.
+
+The above workflow would translate to this kind of Python script:
+
+.. code-block:: python
+
+ # Add a temporary data search directory.
+ mantid.config.appendDataSearchDir('/data/')
+
+ # Vanadium
+ DirectILLCollectData(
+ Run='0100:0109',
+ OutputWorkspace='vanadium',
+ OutputEPPWorkspace='vanadium-epps', # Elastic peak positions.
+ OutputRawWorkspace='vanadium-raw' # 'Raw' data for diagnostics.
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='vanadium',
+ OutputWorkspace='integrated',
+ EPPWorkspace='vanadium-epps'
+ )
+
+ DirectILLDiagnostics(
+ InputWorkspace='vanadium-raw',
+ OutputWorkspace='diagnostics',
+ EPPWorkspace='vanadium-epps',
+ RawWorkspace='vanadium-raw'
+ )
+
+ # Sample
+ DirectILLCollectData(
+ Run='0201, 0205, 0209-0210',
+ OutputWorkspace='sample',
+ )
+
+ geometry = {
+ 'Shape': 'FlatPlate',
+ 'Width': 4.0,
+ 'Height': 5.0,
+ 'Thick': 0.1,
+ 'Center': [0.0, 0.0, 0.0],
+ 'Angle': 45.0
+ }
+ material = {
+ 'ChemicalFormula': 'Ni Cr Fe',
+ 'SampleNumberDensity': 0.09
+ }
+ SetSample(
+ InputWorkspace='sample',
+ Geometry=geometry,
+ Material=material
+ )
+ DirectILLSelfShielding(
+ InputWorkspace='sample',
+ OutputWorkspace='corrections'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='sample',
+ OutputWorkspace='sample-corrected',
+ SelfShieldingCorrectionWorkspace='corrections',
+ )
+
+ DirectILLReduction(
+ InputWorkspace='sample-corrected',
+ OutputWorkspace='SofQW',
+ IntegratedVanadiumWorkspace='integrated'
+ DiagnosticsWorkspace='diagnostics'
+ )
+
+Workspace compatibility
+=======================
+
+Mantid can be picky with binning when doing arithmetics between workspaces. This is an issue for the time-of-flight instruments at ILL as the time axis needs to be corrected to correspond to a physical flight distance. Even thought data is recorded with the same nominal wavelength, the actual value written in the NeXus files may differ between runs. Incident energy calibration further complicates matters. As the correction to the time-of-flight axis depends on the wavelength, two datasets loaded into Mantid with :ref:`algm-DirectILLCollectData` may have slightly different time-of-flight axis. This prevents arithmetics between the workspaces. The situation is most often encountered between sample and the corresponding empty container.
+
+To alleviate the situation, the output workspaces of :ref:`algm-DirectILLCollectData` can be forced to use the same wavelength. The following Python script shows how to propagate the calibrated incident energy from the first loaded workspace into the rest:
+
+.. code-block:: python
+
+ DirectILLCollectData(
+ Run='0100:0109',
+ OutputWorkspace='sample1',
+ OutputIncidentEnergyWorkspace='Ei' # Get a common incident energy.
+ )
+
+ # Empty container.
+ DirectILLCollectData(
+ Run='0201:0205',
+ OutputWorkspace='container',
+ IncidentEnergyWorkspace='Ei' # Empty container should have same TOF binning.
+ )
+
+ # More samples with same nominal wavelength and container as 'sample1'.
+ runs = ['0110:0119,', '0253:0260']
+ index = 1
+ for run in runs:
+ DirectILLCollectData(
+ Run=run,
+ OutputWorkspace='sample{}'.format(index),
+ IncidentEnergyWorkspace='Ei'
+ )
+ index += 1
+
+ # The empty container is now compatible with all the samples.
+
+Container background subtraction
+================================
+
+The container background subtraction is done perhaps a bit counterintuitively in :ref:`algm-DirectILLApplySelfShielding`. At the moment the self-shielding corrections and the empty container data do not have much to do with each other but this may change in the future if the so called Paalman-Pings corrections are used.
+
+With empty container data, the steps to reduce the experimental data might look like this:
+
+#. Load vanadium data.
+
+#. Integrate vanadium.
+
+#. Run diagnostics.
+
+#. Load sample data.
+
+#. Load container data.
+
+ * Propagate the incident energy from the sample, see `Workspace compatibility`_.
+
+#. Calculate and apply absorption corrections for the container.
+
+#. Calculate the absorption corrections for the sample.
+
+#. Apply the absoprtion corrections and subtract the container.
+
+#. Reduce the data applying vanadium calibration coefficients and diagnostics mask.
+
+A corresponding Python script follows.
+
+.. code-block:: python
+
+ mantid.config.appendDataSearchDir('/data/')
+
+ # Vanadium
+ DirectILLCollectData(
+ Run='0100:0109',
+ OutputWorkspace='vanadium',
+ OutputEPPWorkspace='vanadium-epps',
+ OutputRawWorkspace='vanadium-raw'
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='vanadium',
+ OutputWorkspace='integrated',
+ EPPWorkspace='vanadium-epps'
+ )
+
+ DirectILLDiagnostics(
+ InputWorkspace='vanadium-raw',
+ OutputWorkspace='diagnostics',
+ EPPWorkspace='vanadium-epps',
+ RawWorkspace='vanadium-raw'
+ )
+
+ # Sample
+ DirectILLCollectData(
+ Run='0201, 0205, 0209-0210',
+ OutputWorkspace='sample',
+ OutputIncidentEnergyWorkspace='Ei'
+ )
+
+ # Container
+ DirectILLCollectData(
+ Run='0333:0335',
+ OutputWorkspace='container',
+ IncidentEnergyWorkspace='Ei'
+ )
+
+ # Container self-shielding.
+ # Geometry XML allows for very complex geometries.
+ containerShape = """
+ <hollow-cylinder id="inner-ring">
+ <centre-of-bottom-base x="0.0" y="-0.04" z="0.0" />
+ <axis x="0.0" y="1.0" z="0.0" />
+ <inner-radius val="0.017" />
+ <outer-radius val="0.018" />
+ <height val="0.08" />
+ </hollow-cylinder>
+ <hollow-cylinder id="outer-ring">
+ <centre-of-bottom-base x="0.0" y="-0.04" z="0.0" />
+ <axis x="0.0" y="1.0" z="0.0" />
+ <inner-radius val="0.02" />
+ <outer-radius val="0.021" />
+ <height val="0.08" />
+ </hollow-cylinder>
+ <algebra val="inner-ring : outer-ring" />
+ """
+ geometry = {
+ 'Shape': 'CSG',
+ 'Value': containerShape
+ }
+ material = {
+ 'ChemicalFormula': 'Al',
+ 'SampleNumberDensity': 0.09
+ }
+ SetSample(
+ InputWorkspace='container',
+ Geometry=geometry,
+ Material=material
+ )
+ DirectILLSelfShielding(
+ InputWorkspace='container',
+ OutputWorkspace='container-corrections'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='container',
+ OutputWorkspace='container-corrected',
+ SelfShieldingCorrectionWorkspace='container-corrections',
+ )
+
+ # Sample self-shielding and container subtraction.
+ geometry = {
+ 'Shape': 'HollowCylinder',
+ 'Height': 8.0,
+ 'InnerRadius': 1.8,
+ 'OuterRadium': 2.0,
+ 'Center': [0.0, 0.0, 0.0]
+ }
+ material = {
+ 'ChemicalFormula': 'C2 O D6',
+ 'SampleNumberDensity': 0.1
+ }
+ SetSample('sample', geometry, material)
+ DirectILLSelfShielding(
+ InputWorkspace='sample',
+ OutputWorkspace='sample-corrections'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='sample',
+ OutputWorkspace='sample-corrected',
+ SelfShieldingCorrectionWorkspace='sample-corrections',
+ EmptyContainerWorkspace='container-corrected'
+ )
+
+ DirectILLReduction(
+ InputWorkspace='sample-corrected',
+ OutputWorkspace='SofQW',
+ IntegratedVanadiumWorkspace='integrated'
+ DiagnosticsWorkspace='diagnostics'
+ )
+
+Interpolation of container data to different temperatures
+---------------------------------------------------------
+
+Sometimes the empty container is not measured at all the experiment's temperature points. One can use Mantid's workspace arithmetics to perform simple linear interpolation in temperature:
+
+.. code-block:: python
+
+ # Container measurement temperatures.
+ T0 = 3.0
+ T1 = 250.0
+ DT = T1 - T0
+ # Target sample temperature.
+ Ts = 190.0
+ # Linear interpolation.
+ container_190 = (T1 - Ts) / DT * mtd['container_3'] + (Ts - T0) / DT * mtd['container_250']
+
+ DirectILLApplySelfShielding(
+ InputWorkspace='sample',
+ EmptyContainerWorkspace=container_190
+ )
+
+As usual, care should be taken when extrapolating the container data outside the measured range.
+
+Finding out what went wrong
+===========================
+
+The reduction algorithms do not produce much output to Mantid logs by default. Also, none of the intermediate workspaces generated during the run of the ``DirectILL`` algorithms will show up in the analysis data service. Both behaviors can be controlled by the *SubalgorithmLogging* and *Cleanup* properties. Enabling *SubalgorithmLogging* will log all messages from child algorithms to Mantid's logs. Disabling *Cleanup* will unhide the intermediate workspaces created during the algorithm run and disable their deletion.
+
+Note, that disabling *Cleanup* might produce a large number of workspaces and cause the computer to run out of memory.
+
+Instrument specific defaults and recommendations
+================================================
+
+Elastic peak positions
+----------------------
+
+The intensities of individual pixels on IN5 are very low. This makes the fitting procedure employed by :ref:`algm-FindEPP` to work unreliably or fail altogether. Because of this, :ref:`algm-DirectILLCollectData` will use :ref:`algm-CreateEPP` instead by default for IN5. :ref:`algm-CreateEPP` produces an artificial EPP workspace based on the instrument geometry. This should be accurate enough for vanadium integration and diagnostics.
+
+Diagnostics
+-----------
+
+The elastic peak diagnostics might be usable to mask the beam stop of IN5. The background diagnostics, on the other hand, are turned off by default as it makes no sense to mask individual pixels based on them.
+
+Memory management
+-----------------
+
+When working on memory constrained systems, it is recommended to manually delete the workspaces which are not needed anymore in the reduction script. The :ref:`algm-SaveNexus` can be used to save the data to disk.
+
+Full example
+============
+
+Lets put it all together into a complex Python script. The script below reduces the following dataset:
+
+* Vanadium reference.
+
+* An empty vanadium container.
+
+ * Same shape as the sample container.
+ * Complex shape: has to be given as XML.
+
+* Sample measured at wavelength 1 at 50, 100 and 150K.
+
+ * Share time-independent backgrounds from the measurement at 50K.
+
+* Empty container measured at wavelength 1 at 50 and 150K.
+
+ * Need to interpolate to 150K.
+
+* Sample measured at wavelength 2 at 50, 100 and 150K.
+
+ * Share time-independent backgrounds from the measurement at 50K.
+
+* Empty container measured at wavelength 2.
+
+
+
+.. code-block:: python
+
+ mantid.config.appendDataSearchDir('/data/')
+
+ # Gather dataset information.
+ containerRuns = '96,97'
+ vanadiumRuns = '100-103'
+ # Samples at 50K, 100K and 150K.
+ # Wavelength 1
+ containerRuns1 = {
+ 50: '131-137',
+ 150: '138-143'
+ }
+ runs1 = {
+ 50: '105, 107-110',
+ 100: '112-117',
+ 150: '119-123, 125'
+ }
+ # Wavelength 2
+ containerRun2 = '166-170'
+ runs2 = {
+ 50: '146, 148, 150',
+ 100: '151-156',
+ 150: '160-165'
+ }
+
+ # Vanadium & vanadium container.
+
+ DirectILLCollectData(
+ Run=vanadiumRuns,
+ OutputWorkspace='vanadium',
+ OutputEPPWorkspace='vanadium-epp',
+ OutputRawWorkspace='vanadium-raw',
+ OutputIncidentEnergyWorkspace='vanadium-Ei' # Use for container
+ )
+
+ DirectILLCollectData(
+ Run=containerRuns,
+ OutputWorkspace='vanadium-container',
+ IncidentEnergyWorkspace='vanadium-Ei'
+ )
+
+ containerShape = """
+ <hollow-cylinder id="inner-ring">
+ <centre-of-bottom-base x="0.0" y="-0.04" z="0.0" />
+ <axis x="0.0" y="1.0" z="0.0" />
+ <inner-radius val="0.017" />
+ <outer-radius val="0.018" />
+ <height val="0.08" />
+ </hollow-cylinder>
+ <hollow-cylinder id="outer-ring">
+ <centre-of-bottom-base x="0.0" y="-0.04" z="0.0" />
+ <axis x="0.0" y="1.0" z="0.0" />
+ <inner-radius val="0.02" />
+ <outer-radius val="0.021" />
+ <height val="0.08" />
+ </hollow-cylinder>
+ <algebra val="inner-ring : outer-ring" />
+ """
+ containerGeometry = {
+ 'CSG': containerShape
+ }
+ containerMaterial = {
+ 'ChemicalFormula': 'Al',
+ 'SampleNumberDensity': 0.1
+ }
+ SetSample('vanadium-container', containerGeometry, containerMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='vanadium-container',
+ OutputWorkspace='vanadium-container-self-shielding'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='vanadium-container',
+ OutputWorkspace='vanadium-container-corrected'
+ SelfShieldingCorrectionWorkspace='vanadium-container-self-shielding'
+ )
+
+ sampleGeometry = {
+ 'Shape': 'HollowCylinder',
+ 'Height': 8.0,
+ 'InnerRadius': 1.8,
+ 'OuterRadium': 2.0,
+ 'Center': [0.0, 0.0, 0.0]
+ }
+ vanadiumMaterial = {
+ 'ChemicalFormula': 'V',
+ 'SampleNumberDensity': 0.15
+ }
+ SetSample('vanadium', sampleGeometry, vanadiumMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='vanadium',
+ OutputWorkspace='vanadium-self-shielding'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='vanadium',
+ OutputWorkspace='vanadium-corrected',
+ SelfShieldingCorrectionWorkspace='vanadium-self-shielding',
+ EmptyContainerWorkspace='vanadium-container-corrected'
+ )
+
+ DirectILLIntegrateVanadium(
+ InputWorkspace='vanadium-corrected',
+ OutputWorkspace='vanadium-calibration',
+ EPPWorkspace='vanadium-epp'
+ )
+
+ diagnosticsResult = DirectILLDiagnoseDetectors(
+ InputWorkspace='vanadium-raw',
+ OutputWorkspace='mask',
+ EPPWorkspace='vanadium-epp',
+ OutputReportWorkspace='diagnostics-report'
+ )
+
+ # Sample and container at wavelength 1.
+
+ DirectILLCollectData(
+ Run=runs1[50],
+ OutputWorkspace='run1-50K',
+ OutputIncidentEnergyWorkspace='Ei1',
+ OutputFlatBkgWorkspace='bkg1-50K'
+ )
+
+ DirectILLCollectData(
+ Run=containerRuns1[50],
+ OutputWorkspace='container1-50K',
+ IncidentEnergyWorkspace='Ei1'
+ )
+
+ SetSample('container1-50K', containerGeometry, containerMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='container1-50K',
+ OutputWorkspace='container1-self-shielding'
+ )
+
+ DirectILLCollectData(
+ Run=containerRuns1[150],
+ OutputWorkspace='container1-150K',
+ IncidentEnergyWorkspace='Ei1'
+ )
+
+ interpolated = 0.5 * (mtd['container1-50K'] + mtd['container1-150K'])
+ RenameWorkspace(interpolated, 'container1-100K')
+
+ for T in [50, 100, 150]:
+ DirectILLApplySelfShielding(
+ InputWorkspace='container1-{}K'.format(T),
+ OutputWorkspace='container1-{}K-corrected'.format(T),
+ SelfShieldingCorrectionWorkspace='container1-self-shielding'
+ )
+
+ sampleMaterial = {
+ 'ChemicalFormula': 'Fe 2 O 3',
+ 'SampleNumberDensity': 0.23
+ }
+ SetSample('run1-50K', sampleGeometry, sampleMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='run1-50K',
+ OutputWorkspace='run1-self-shielding',
+ )
+
+ for T in runs1:
+ if T != 50:
+ # 50K data has been loaded already.
+ DirectILLCollectData(
+ Run=runs1[T],
+ OutputWorkspace='run1-{}K'.format(T),
+ IncidentEnergyWorkspace='Ei1',
+ FlatBkgWorkspace='bkg1-50K'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='run1-{}K'.format(T),
+ OutputWorkspace='run1-{}K-corrected'.format(T),
+ SelfShieldingCorrectionWorkspace='run1-self-shielding',
+ EmptyContainerWorkspace='container1-{}K-corrected'.format(T)
+ )
+ DirectILLReduction(
+ InputWorkspace='run1-{}K-corrected'.format(T),
+ OutputWorkspace='SofQW1-{}K'.format(T),
+ IntegratedVanadiumWorkspace='vanadium-calibration',
+ DiagnosticsWorkspace='mask'
+ )
+ SaveNexus('SofQW1-{}K'.format(T), '/data/output2-{}.nxs'.format(T))
+
+ # Sample and container at wavelength 2.
+
+ DirectILLCollectData(
+ Run=runs2[50],
+ OutputWorkspace='run2-50K',
+ OutputIncidentEnergyWorkspace=Ei2',
+ OutputFlatBkgWorkspace='bgk2-50K'
+ )
+
+ DirectILLCollectData(
+ Run=containerRun2,
+ OutputWorkspace='container2',
+ IncidentEnergyWorkspace='Ei2'
+ )
+
+ SetSample('container2', containerGeometry, containerMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='container2',
+ OutputWorkspace='container2-self-shielding'
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='container2',
+ OutputWorkspace='container2-corrected',
+ SelfShieldingCorrectionWorkspace='container2-self-shielding'
+ )
+
+ SetSample('run2-50K', sampleGeometry, sampleMaterial)
+ DirectILLSelfShielding(
+ InputWorkspace='run2-50K',
+ OutputWorkspace='run2-self-shielding'
+ )
+
+ for T in runs2:
+ if T != 50:
+ # 50K data has been loaded already.
+ DirectILLCollectData(
+ Run=runs2[T]
+ OuputWorkspace='run2-{}K'.format(T),
+ IncidentEnergyWorkspace='Ei2',
+ FlatBkgWorkspace='bkg2-50K
+ )
+ DirectILLApplySelfShielding(
+ InputWorkspace='run2-{}K'.format(T),
+ OutputWorkspace='run2-{}K-corrected'.format(T),
+ SelfShieldingCorrectionWorkspace='run2-self-shielding',
+ EmptyContainerWorkspace='container2'
+ )
+ DirectILLReduction(
+ InputWorkspace='run2-{}K-corrected'.format(T),
+ OutputWorkspace='SofQW2-{}K'.format(T),
+ IntegratedVanadiumWorkspace='vanadium-calibration',
+ DiagnosticsWorkspace='mask'
+ )
+ SaveNexus('SofQW2-{}K'.format(T), '/data/output2-{}.nxs'.format(T))
+
+.. categories:: Techniques
diff --git a/docs/source/techniques/ISISPowder-HRPD-v1.rst b/docs/source/techniques/ISISPowder-HRPD-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..66cb9cd8df1353954e3e3b2b3e218aa002f13b6b
--- /dev/null
+++ b/docs/source/techniques/ISISPowder-HRPD-v1.rst
@@ -0,0 +1,653 @@
+.. _isis-powder-diffraction-hrpd-ref:
+
+==================================================
+ISIS Powder Diffraction Scripts - HRPD Reference
+==================================================
+
+.. contents:: Table of Contents
+ :local:
+
+.. _creating_hrpd_object-isis-powder-diffraction-ref:
+
+Creating an HRPD Object
+-----------------------
+
+This method assumes you are familiar with the concept of objects in Python.
+If not more details can be read here: :ref:`intro_to_objects-isis-powder-diffraction-ref`
+
+To create an HRPD object the following parameters are required:
+
+- :ref:`calibration_directory_hrpd_isis-powder-diffraction-ref`
+- :ref:`output_directory_hrpd_isis-powder-diffraction-ref`
+- :ref:`user_name_hrpd_isis-powder-diffraction-ref`
+
+Optionally a configuration file may be specified if one exists using
+the following parameter:
+
+- :ref:`config_file_hrpd_isis-powder-diffraction-ref`
+
+See :ref:`configuration_files_isis-powder-diffraction-ref` for more
+details on YAML configuration files.
+
+Example
+^^^^^^^
+
+.. code-block:: python
+
+ from isis_powder import HRPD
+
+ calibration_dir = r"C:\path\to\calibration_dir"
+ output_dir = r"C:\path\to\output_dir"
+
+ hrpd_example = hrpd.HRPD(calibration_directory=calibration_dir,
+ output_directory=output_dir,
+ user_name="user's name")
+
+ # Optionally we could provide a configuration file like so
+ config_file_path = r"C:\path\to\config_file.yaml"
+ hrpd_example = hrpd.HRPD(config_file=config_file_path,
+ user_name="user's name", ...)
+
+Methods
+-------
+The following methods can be executed on an HRPD object:
+
+- :ref:`create_vanadium_hrpd_isis-powder-diffraction-ref`
+- :ref:`focus_hrpd_isis-powder-diffraction-ref`
+- :ref:`set_sample_hrpd_isis-powder-diffraction-ref`
+
+.. _create_vanadium_hrpd_isis-powder-diffraction-ref:
+
+create_vanadium
+^^^^^^^^^^^^^^^
+
+The *create_vanadium* method allows a user to process a vanadium
+run. Whilst processing the vanadium run, the scripts can apply any
+corrections the user enables and will spline the resulting
+workspace(s) for later focusing.
+
+On HRPD the following parameters are required when executing
+*create_vanadium*:
+
+- :ref:`calibration_mapping_file_hrpd_isis-powder-diffraction-ref`
+- :ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref`
+- :ref:`first_cycle_run_no_hrpd_isis-powder-diffraction-ref`
+- :ref:`window_hrpd_isis-powder-diffraction-ref`
+
+If :ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref` is set to
+**True** the following parameter is required in addition to the above:
+
+- :ref:`multiple_scattering_hrpd_isis-powder-diffraction-ref`
+
+The following parameter may optionally be passed:
+
+- :ref:`mode_hrpd_isis-powder-diffraction-ref`
+
+Example
+=======
+
+.. code-block:: python
+
+ cal_mapping_file = r"C:\path\to\cal_mapping.yaml"
+
+ hrpd_example.create_vanadium(calibration_mapping_file=cal_mapping_file,
+ first_cycle_run_no=66058, window="10-110",
+ do_absorb_correction=True,
+ multiple_scattering=False)
+
+.. _focus_hrpd_isis-powder-diffraction-ref:
+
+focus
+^^^^^
+
+The *focus* method processes the user-specified run(s). It aligns,
+focuses and optionally applies corrections if the user has requested
+them.
+
+On HRPD the following parameters are required when executing *focus*
+
+- :ref:`calibration_mapping_file_hrpd_isis-powder-diffraction-ref`
+- :ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref`
+- :ref:`run_number_hrpd_isis-powder-diffraction-ref`
+- :ref:`vanadium_normalisation_hrpd_isis-powder-diffraction-ref`
+- :ref:`window_hrpd_isis-powder-diffraction-ref`
+
+The following parameters may optionally be passed:
+
+- :ref:`mode_hrpd_isis-powder-diffraction-ref`
+- :ref:`sample_empty_hrpd_isis-powder-diffraction-ref`
+
+If :ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref` is set to
+**True** the following parameter is required in addition to the above:
+
+- :ref:`multiple_scattering_hrpd_isis-powder-diffraction-ref`
+
+If :ref:`sample_empty_hrpd_isis-powder-diffraction-ref` is set then
+the following parameter is required in addition to the above:
+
+- :ref:`sample_empty_scale_hrpd_isis-powder-diffraction-ref`
+
+Example
+=======
+
+.. code-block:: python
+
+ cal_mapping_file = r"C:\path\to\cal_mapping.yaml"
+
+ hrpd_example.focus(run_number=66845, calibration_mapping_file=cal_mapping_file,
+ vanadium_normalisation=True, do_absorb_corrections=True,
+ sample_empty=66829, sample_empty_scale=1,
+ multiple_scattering=False, window="10-110")
+
+.. _set_sample_hrpd_isis-powder-diffraction-ref:
+
+set_sample
+^^^^^^^^^^
+The *set_sample* method allows a user to specify a SampleDetails
+object which contains the sample properties used when
+:ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref` is
+**True** in :ref:`focus_hrpd_isis-powder-diffraction-ref`.
+
+For more details on the SampleDetails object and how to set it see:
+:ref:`isis-powder-diffraction-sampleDetails-ref`.
+
+The following parameter is required when calling *set_sample*.
+
+- *sample* - This must be a SampleDetails object with the material set
+ already.
+
+Example
+=======
+
+.. code-block:: python
+
+ sample_obj = SampleDetails(...)
+ sample_obj.set_material(...)
+
+ hrpd_example.set_sample(sample=sample_obj)
+
+
+.. _calibration_mapping_hrpd_isis-powder-diffraction-ref:
+
+Calibration Mapping File
+------------------------
+The calibration mapping file holds the mapping between run numbers,
+current label, offset filename and the empty and vanadium numbers.
+
+For more details on the calibration mapping file see:
+:ref:`cycle_mapping_files_isis-powder-diffraction-ref`
+
+The layout on HRPD should look as follows for each block, substituting
+the example values for appropriate ones.
+
+.. code-block:: yaml
+ :linenos:
+
+ 1-100:
+ "coupled":
+ "10-110":
+ vanadium_run_numbers: "1"
+ empty_run_numbers: "2"
+ "decoupled":
+ "100-200":
+ vanadium_run_numbers: "3"
+ empty_run_numbers: "4"
+ label: "1_1"
+ offset_file_name "offset_file.cal"
+
+Lines 4 and 5 in this example set the vanadium and empty run numbers
+for a time-of-flight window of 10-110 in a coupled run. Lines 7 and 8
+set the vanadium & empty for tof window of 100-200 on a decoupled run.
+
+Parameters
+----------
+The following parameters for HRPD are intended for regular use when
+using the ISIS Powder scripts.
+
+.. _calibration_directory_hrpd_isis-powder-diffraction-ref:
+
+calibration_directory
+^^^^^^^^^^^^^^^^^^^^^
+This parameter should be the full path to the calibration folder.
+Within the folder the following should be present:
+
+- Grouping .cal file (see:
+ :ref:`grouping_file_name_hrpd_isis-powder-diffraction-ref`)
+- Folder(s) with the label name specified in mapping file (e.g. "1_1")
+- Inside each folder should be the offset file with name specified in
+ mapping file
+
+The script will also save out vanadium splines into the relevant label
+folder which are subsequently loaded and used within the
+:ref:`focus_hrpd_isis-powder-diffraction-ref` method.
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example = HRPD(calibration_directory=r"C:\path\to\calibration_dir", ...)
+
+.. _calibration_mapping_file_hrpd_isis-powder-diffraction-ref:
+
+calibration_mapping_file
+^^^^^^^^^^^^^^^^^^^^^^^^
+This parameter gives the full path to the YAML file containing the
+calibration mapping. For more details on this file see:
+:ref:`calibration_mapping_hrpd_isis-powder-diffraction-ref`
+
+*Note: this should be the full path to the file including extension*
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example =
+ HRPD(calibration_mapping_file=r"C:\path\to\file\calibration_mapping.yaml", ...)
+
+.. _config_file_hrpd_isis-powder-diffraction-ref:
+
+config_file
+^^^^^^^^^^^
+The full path to the YAML configuration file. This file is described
+in detail here:
+:ref:`configuration_files_isis-powder-diffraction-ref`. It is
+recommended to set this parameter at object creation instead of when
+executing a method as it will warn if any parameters are overriden in
+the scripting window.
+
+*Note: This should be the full path to the file including extension*
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example = HRPD(config_file=r"C:\path\to\file\configuration.yaml", ...)
+
+.. _do_absorb_corrections_hrpd_isis-powder-diffraction-ref:
+
+do_absorb_corrections
+^^^^^^^^^^^^^^^^^^^^^
+Indicates whether to perform absorption corrections in
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref` and
+:ref:`focus_hrpd_isis-powder-diffraction-ref`. In
+:ref:`focus_hrpd_isis-powder-diffraction-ref` the sample details must
+be set first with :ref:`set_sample_hrpd_isis-powder-diffraction-ref`.
+
+Accepted values are **True** or **False**.
+
+*Note: If this is set to 'True'*
+:ref:`multiple_scattering_hrpd_isis-powder-diffraction-ref` *must be
+set*
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example.create_vanadium(do_absorb_corrections=True, ...)
+ # Or (this assumes sample details have already been set)
+ hrpd_example.focus(do_absorb_corrections=True, ...)
+
+.. _first_cycle_run_no_hrpd_isis-powder-diffraction-ref:
+
+first_cycle_run_no
+^^^^^^^^^^^^^^^^^^
+Indicates a run from the current cycle to use when calling
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref`. This does not
+have to be the first run of the cycle or the run number corresponding
+to the vanadium. However it must be in the correct cycle according to
+:ref:`calibration_mapping_file_hrpd_isis-powder-diffraction-ref`.
+
+Example Input:
+
+.. code-block:: python
+
+ # In this example assume we mean a cycle with run numbers 100-200
+ hrpd_example.create_vanadium(first_cycle_run_no=100, ...)
+
+.. _mode_hrpd_isis-powder-diffraction-ref:
+
+mode
+^^^^
+*Optional*
+
+Indicates the coupling mode of the runs in
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref` and
+:ref:`focus_hrpd_isis-powder-diffraction-ref`.
+
+Accepted values are **coupled** and **decoupled**. By default this is
+set to **coupled**, but may be overridden as required,
+
+.. code-block:: python
+
+ hrpd_example.create_vanadium(mode="coupled", ...)
+ # Or
+ hrpd_example.focus(mode="decoupled", ...)
+
+.. _multiple_scattering_hrpd_isis-powder-diffraction-ref:
+
+multiple_scattering
+^^^^^^^^^^^^^^^^^^^
+Indicates whether to account for the effects of multiple scattering
+when calculating absorption corrections. if
+:ref:`do_absorb_corrections_hrpd_isis-powder-diffraction-ref` is set
+to **True** then this parameter must be set.
+
+Accepted values are **True** or **False**.
+
+*Note: Calculating multiple scattering effects will add a considerable
+amount to the time it takes to run your script*
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example.create_vanadium(multiple_scattering=True, ...)
+ # Or
+ hrpd_example.focus(multiple_scattering=False, ...)
+
+.. _output_directory_hrpd_isis-powder-diffraction-ref:
+
+output_directory
+^^^^^^^^^^^^^^^^
+Specifies the path to the output directory to save processed files
+into. The script will automatically create a folder with the label
+determined from the
+:ref:`calibration_mapping_file_hrpd_isis-powder-diffraction-ref` and
+within that create another folder for the current
+:ref:`user_name_polaris_isis-powder-diffraction-ref`. NXS and GSAS
+files are saved here automatically.
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example = hrpd.HRPD(output_directory=r"C:\path\to\output_dir", ...)
+
+.. _run_number_hrpd_isis-powder-diffraction-ref:
+
+run_number
+^^^^^^^^^^
+Specifies the run number(s) to process when calling the
+:ref:`focus_hrpd_isis-powder-diffraction-ref` method.
+
+This parameter accepts a single value or a range
+of values with the following syntax:
+
+**-** : Indicates a range of runs inclusive
+(e.g. *1-10* would process 1, 2, 3....8, 9, 10)
+
+**,** : Indicates a gap between runs
+(e.g. *1, 3, 5, 7* would process run numbers 1, 3, 5, 7)
+
+These can be combined like so:
+*1-3, 5, 8-10* would process run numbers 1, 2, 3, 5, 8, 9, 10.
+
+Example Input:
+
+.. code-block:: python
+
+ # Process run number 1, 3, 5, 6, 7
+ hrpd_example.focus(run_number="1, 3, 5-7", ...)
+ # Or just a single run
+ hrpd_example.focus(run_number=100, ...)
+
+.. _sample_empty_hrpd_isis-powder-diffraction-ref:
+
+sample_empty
+^^^^^^^^^^^^
+*Optional*
+
+This parameter specifies a/several sample empty run(s) to subtract
+from the data when running
+:ref:`focus_hrpd_isis-powder-diffraction-ref`. If multiple runs are
+specified, they will be summed before being subtracted from the data.
+
+This input uses the same syntax as
+:ref:`run_number_hrpd_isis-powder-diffraction-ref`.
+
+*Note: If this is set to anything other than* **False**,
+*:ref:`sample_empty_scale_hrpd_isis-powder-diffraction-ref` must also
+be specified*
+
+Example Input:
+
+.. code-block:: python
+
+ # Our sample empty is a single number
+ hrpd_example.focus(sample_empty=100, ...)
+ # Or a range of numbers
+ hrpd_example.focus(sample_empty="100-110", ...)
+
+.. _sample_empty_scale_hrpd_isis-powder-diffraction-ref:
+
+sample_empty_scale
+^^^^^^^^^^^^^^^^^^
+Required if :ref:`sample_empty_hrpd_isis-powder-diffraction-ref` is set to
+anything other than **False**.
+
+Sets a factor to scale the sample empty run(s) by before
+subtracting. This value is multiplied after summing the empty runs and
+before subtracting the empty from the data set. For more details see
+:ref:`Scale <algm-Scale-v1>`.
+
+Example Input:
+
+.. code-block:: python
+
+ # Scale sample empty to 90% of original
+ hrpd_example.focus(sample_empty_scale=0.9, ...)
+
+.. _user_name_hrpd_isis-powder-diffraction-ref:
+
+user_name
+^^^^^^^^^
+Specifies the name of the current user when creating a new HRPD
+object. This is only used when saving data to sort data into
+respective user folders.
+See :ref:`output_directory_hrpd_isis-powder-diffraction-ref` for more
+details.
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example = HRPD(user_name="Mantid", ...)
+
+.. _vanadium_normalisation_hrpd_isis-powder-diffraction-ref:
+
+vanadium_normalisation
+^^^^^^^^^^^^^^^^^^^^^^
+Indicates whether to divide the focused workspace within
+:ref:`focus_hrpd_isis-powder-diffraction-ref` method.
+
+This requires a vanadium to have been previously created using
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref`.
+
+Accepted value are **True** or **False**.
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example.focus(do_van_normalisation=True, ...)
+
+.. _window_hrpd_isis-powder-diffraction-ref:
+
+window
+^^^^^^
+The time-of-flight window to use in the
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref` and
+:ref:`focus_hrpd_isis-powder-diffraction-ref` methods. This determines
+which vanadium and empty run numbers to use while processing.
+
+Accepted values are **10-110**, **30-130** or **100-200**.
+
+Example Input:
+
+.. code-block:: python
+
+ hrpd_example.create_vanadium(window="100-200", ...)
+ # Or
+ hrpd_example.focus(window="10-110", ...)
+
+Advanced Parameters
+-------------------
+.. warning:: These values are not intended to be changed and should
+ reflect optimal defaults for the instrument. For more
+ details please read:
+ :ref:`instrument_advanced_properties_isis-powder-diffraction-ref`
+
+ This section is mainly intended to act as reference for
+ the current settings distributed with Mantid
+
+Changing any values in the advanced configuration file will require
+the user to restart Mantid in order for the new values to take effect.
+Please read
+:ref:`instrument_advanced_properties_isis-powder-diffraction-ref`
+before changing values in the advanced configuration file.
+
+focused_bin_widths
+^^^^^^^^^^^^^^^^^^
+The dt-upon-t binning for the focused data.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ focused_bin_widths = [
+ -0.0005, # Bank 1
+ -0.0005, # Bank 2
+ -0.001 # Bank 3
+ ]
+
+focused_cropping_values
+^^^^^^^^^^^^^^^^^^^^^^^
+
+Cropping windows for the three banks once data has been focused.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ # window = "10-110"
+ focused_cropping_values = [
+ (1e4, 1.1e5), # Bank 1
+ (1e4, 1.2e5), # Bank 2
+ (1.1e4, 1.15e5) # Bank 3
+ ]
+
+ # window = "30-130"
+ focused_cropping_values = [
+ (3e4, 1.3e5), # Bank 1
+ (2.84e4, 1.42e5), # Bank 2
+ (3e4, 1.37e5) # Bank 3
+ ]
+
+ # window = "100-200"
+ focused_cropping_values = [
+ (1e5, 2.02e5), # Bank 1
+ (9.6e4, 2.18e5), # Bank 2
+ (1e5, 2.11e5) # Bank 3
+ ]
+
+.. _grouping_file_name_hrpd_isis-powder-diffraction-ref:
+
+grouping_file_name
+^^^^^^^^^^^^^^^^^^
+The name of the grouping calibration file which is located within the
+top level of the
+:ref:`calibration_directory_hrpd_isis-powder-diffraction-ref`.
+
+The grouping file determines the mapping from detector ID to bank, and
+is used when focusing the spectra into banks.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ grouping_file_name = "hrpd_new_072_01_corr.cal"
+
+spline_coefficient
+^^^^^^^^^^^^^^^^^^
+The spline coefficient to use after processing the vanadium in
+:ref:`create_vanadium_hrpd_isis-powder-diffraction-ref` method. For
+more details see: :ref:`SplineBackground <algm-SplineBackground>`
+
+*Note that if this value is changed 'create_vanadium' will need to be
+called again.*
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ spline_coefficient = 70
+
+
+vanadium_tof_cropping
+^^^^^^^^^^^^^^^^^^^^^
+
+The cropping window for the Vanadium sample.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ # window = "10-110"
+ vanadium_tof_cropping = (1e4, 1.2e5)
+
+ # window = "30-130"
+ vanadium_tof_cropping = (3e4, 1.4e5)
+
+ # window = "100-200"
+ vanadium_tof_cropping = (1e5, 2.15e5)
+
+Vanadium Sample details
+^^^^^^^^^^^^^^^^^^^^^^^
+
+chemical_formula
+================
+
+The chemical formula for the Vanadium rod.
+
+On HRPD this is, predictably, set to the following:
+
+.. code-block:: python
+
+ chemical_formula = "V"
+
+cylinder_position
+=================
+
+The position of the Vanadium rod in [x, y, z]
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ cylinder_position = [0.0, 0.0, 0.0]
+
+
+cylinder_sample_height
+======================
+
+The height of the Vanadium rod.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ cylinder_sample_height = 2.0
+
+
+cylinder_sample_radius
+======================
+
+The radius of the Vanadium rod.
+
+On HRPD this is set to the following:
+
+.. code-block:: python
+
+ cylinder_sample_radius = 2.0
+
+.. categories:: Techniques
diff --git a/docs/source/techniques/ISISPowder-Index-v1.rst b/docs/source/techniques/ISISPowder-Index-v1.rst
index c8f65da1cee14e55ce89a1193a6e8e137e0c6c41..02b1f4a3ac4090c1e6ba5b4fcdd8a179c9bc20e0 100644
--- a/docs/source/techniques/ISISPowder-Index-v1.rst
+++ b/docs/source/techniques/ISISPowder-Index-v1.rst
@@ -50,6 +50,7 @@ their usage.
Instrument Reference
---------------------------------
- :ref:`isis-powder-diffraction-gem-ref`
+- :ref:`isis-powder-diffraction-hrpd-ref`
- :ref:`isis-powder-diffraction-pearl-ref`
- :ref:`isis-powder-diffraction-polaris-ref`
diff --git a/docs/source/techniques/ISISPowder-SampleDetails-v1.rst b/docs/source/techniques/ISISPowder-SampleDetails-v1.rst
index 21b55506307e661de46b95d0a4ea1c31c1e3a1b1..b4222172ebec71f3ef941f99135308d37dfa258f 100644
--- a/docs/source/techniques/ISISPowder-SampleDetails-v1.rst
+++ b/docs/source/techniques/ISISPowder-SampleDetails-v1.rst
@@ -30,22 +30,37 @@ Optionally you may also:
.. _create_sampleDetails_object_isis-powder-diffraction-ref:
Create SampleDetails Object
-------------------------------
+---------------------------
This method assumes you are familiar with the concept of objects in Python.
If not more details can be read here: :ref:`intro_to_objects-isis-powder-diffraction-ref`
For more details on any of the parameters set here see:
:ref:`Set Sample<algm-SetSample>`.
-**Note: this assumes a cylinder geometry**
+Two geometries are currently supported - cylinder and slab.
-To create a SampleDetails object the following parameters of the
-sample geometry are required:
+To create a cylindrical SampleDetails object the following parameters
+of the sample geometry are required:
+- :ref:`shape-sampleDetails_isis-powder-diffraction-ref` - The sample
+ shape (in this case a cylinder)
+- :ref:`center_sampleDetails_isis-powder-diffraction-ref` - List of x, y, z
+ positions of the sample
- :ref:`height_sampleDetails_isis-powder-diffraction-ref` - Cylinder height
- :ref:`radius_sampleDetails_isis-powder-diffraction-ref` - Cylinder radius
+
+To create a slab SampleDetails object the following parameters of the
+sample geometry are required:
+
+- :ref:`shape-sampleDetails_isis-powder-diffraction-ref` - The sample
+ shape (in this case a slab)
- :ref:`center_sampleDetails_isis-powder-diffraction-ref` - List of x, y, z
- positions of the cylinder
+ positions of the sample
+- :ref:`thickness-sampleDetails_isis-powder-diffraction-ref` - Slab thickness
+- :ref:`width-sampleDetails_isis-powder-diffraction-ref` - Slab width
+- :ref:`height-sampleDetails_isis-powder-diffraction_ref` - Slab
+ height
+- :ref:`sngle-sampleDetails_isis-powder-diffraction_ref` - Slab angle
Example
^^^^^^^
@@ -58,7 +73,38 @@ Example
cylinder_radius = 2.0
cylinder_position = [0.0, 0.0, 0.2]
sample_obj = SampleDetails(height=cylinder_height, radius=cylinder_radius,
- center=cylinder_position)
+ center=cylinder_position, shape="cylinder")
+
+ slab_thickness = 1.0
+ slab_obj = SampleDetails(thickness=slab_thickness, shape="slab")
+
+.. _angle_sampleDetails_isis-powder-diffraction-ref:
+
+angle
+^^^^^
+The angle in degrees between the positive beam axis and the normal to
+the face perpendicular to the beam axis when not rotated, increasing
+in the anti-clockwise sense. Rotation is performed about the vertical
+axis of the instrument's frame of reference.
+
+Example Input:
+
+.. code-block:: python
+
+ sample_obj = SampleDetails(angle=45, ...)
+
+.. _center_sampleDetails_isis-powder-diffraction-ref:
+
+center
+^^^^^^
+The center of the sample as defined by X, Y and Z
+co-ordinates. This co-ordinates must be numeric.
+
+Example Input:
+
+.. code-block:: python
+
+ sample_obj = SampleDetails(center=[-1.0, 0.0, 1.0], ...)
.. _height_sampleDetails_isis-powder-diffraction-ref:
@@ -86,18 +132,44 @@ Example Input:
sample_obj = SampleDetails(radius=5.0, ...)
-.. _center_sampleDetails_isis-powder-diffraction-ref:
+.. _shape-sampleDetails_isis-powder-diffraction-ref:
-center
-^^^^^^
-The center of the sample cylinder as defined by X, Y and Z
-co-ordinates. This co-ordinates must be numeric.
+shape
+^^^^^
+
+The shape of the sample. Allowed values are currently **cylinder** and
+**slab**.
Example Input:
-.. code-block:: python
+.. code-block:: python
- sample_obj = SampleDetails(center=[-1.0, 0.0, 1.0], ...)
+ sample_obj = SampleDetails(shape="cylinder", ...)
+
+.. _thickness-sampleDetails_isis-powder-diffraction-ref:
+
+thickness
+^^^^^^^^^
+The thickness of the slab sample in cm. This must be greater
+than 0. In the case of HRPD, allowed values are **0.2, 0.5, 1.0, 1.5**
+
+Example Input:
+
+.. code-block:: python
+
+ sample_obj = SampleDetails(thickness=1.0, ...)
+
+.. _width-sampleDetails_isis-powder-diffraction-ref:
+
+width
+^^^^^
+The width of the slab sample in cm. This must be greater than 0.
+
+Example Input:
+
+.. code-block:: python
+
+ sample_obj = SampleDetails(thickness=1.0, ...)
.. _set_material_sample_details_isis-powder-diffraction-ref:
diff --git a/instrument/D17_Definition.xml b/instrument/D17_Definition.xml
index 087d024f91d99bcf625afb7759100d317cedf5c7..5ec9dff75ecc921a191b95a3f4c131b90626fb56 100644
--- a/instrument/D17_Definition.xml
+++ b/instrument/D17_Definition.xml
@@ -1,80 +1,93 @@
-<?xml version="1.0" encoding="utf-8"?>
-<!-- For help on the notation used to specify an Instrument Definition File see http://www.mantidproject.org/IDF -->
-<instrument xmlns="http://www.mantidproject.org/IDF/1.0"
- xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
- xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd"
-name="D17" valid-from="1900-01-31 23:59:59"
-valid-to="2100-01-31 23:59:59" last-modified="2014-05-26 14:06:31">
- <!-- Author: ricardo.leal@ill.fr -->
+<?xml version='1.0' encoding='ASCII'?>
+<instrument xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.mantidproject.org/IDF/1.0" last-modified="2017-08-24 12:16:32.682412" name="D17" valid-from="2017-01-31 23:59:59" valid-to="2100-01-31 23:59:59" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd">
+ <!-- This is the instrument definition file of the D17 reflectometer at the ILL.
+ Generated file, PLEASE DO NOT EDIT THIS FILE!
+ This file was automatically generated by mandidgeometry/ILL/IDF/d17_generatorIDF.py
+
+ z axis defines the direction of the direct beam
+ y axis will be the axis used for rotation in the LoadILLReflectometry algorithm
+ coordinate system is right-handed
+
+ y axis rotation defined by theta
+ x axis rotation defined by phi
+ z axis rotation defined by chi
+
+ ILL monoblock tube detector - width x direction, height y direction
+
+ The detector is of size 300 mm x 480 mm and flat, its shape is rectangular
+ Its resolution is 2.2 mm x 4.8 mm (width x height FWHM)
+ Rotation -2 to 45 degrees
+
+ It consists of 64 horizontal tubes, each has a height of 7.4 mm
+ It consists of 256 pixels. each about 1.195 mm wide
+
+ Time-of-flight mode:
+ Beam area at sample position 10 mm x 50 mm (width x height)
+ Q-range 0.002 - 2 A-1
+
+ For more information, please visit
+ https://www.ill.eu/instruments-support/instruments-groups/instruments/d17/characteristics/
+ -->
<defaults>
- <length unit="meter" />
- <angle unit="degree" />
+ <length unit="metre"/>
+ <angle unit="degree"/>
<reference-frame>
- <!-- The z-axis is set parallel to and in the direction of the beam. the
- y-axis points up and the coordinate system is right handed. -->
- <along-beam axis="z" />
- <pointing-up axis="y" />
- <handedness val="right" />
+ <along-beam axis="z"/>
+ <pointing-up axis="y"/>
+ <handedness val="right"/>
</reference-frame>
</defaults>
- <!-- Source -->
+ <!--SOURCE-->
<component type="chopper1">
- <location z="-4.16610003" />
+ <location x="0.0" y="0.0" z="-4.164"/>
</component>
- <type name="chopper1" is="Source"></type>
- <!-- Sample position -->
- <component type="sample-position">
- <location y="0.0" x="0.0" z="0.0" />
+ <type is="Source" name="chopper1"/>
+ <!--Sample position-->
+ <component type="sample_position">
+ <location x="0.0" y="0.0" z="0.0"/>
</component>
- <type name="sample-position" is="SamplePos" />
+ <type is="SamplePos" name="sample_position"/>
<!--MONITORS-->
- <component type="monitors" idlist="monitors">
- <location />
+ <component idlist="monitors" type="monitors">
+ <location/>
</component>
<type name="monitors">
<component type="monitor">
- <location z="0.0181" name="monitor1" />
- <location z="-0.5" name="monitor2" />
+ <location name="monitor1" z="0.0181"/>
+ <location name="monitor2" z="-0.5"/>
</component>
</type>
<!--MONITOR SHAPE-->
<!--FIXME: Do something real here.-->
<type is="monitor" name="monitor">
<cylinder id="cyl-approx">
- <centre-of-bottom-base y="0.0" x="0.0" z="0.0" />
- <axis y="0.0" x="0.0" z="1.0" />
- <radius val="0.01" />
- <height val="0.03" />
+ <centre-of-bottom-base p="0.0" r="0.0" t="0.0"/>
+ <axis x="0.0" y="0.0" z="1.0"/>
+ <radius val="0.01"/>
+ <height val="0.03"/>
</cylinder>
- <algebra val="cyl-approx" />
+ <algebra val="cyl-approx"/>
</type>
<!--MONITOR IDs-->
<idlist idname="monitors">
- <id start="0" end="1" />
+ <id val="100000"/>
+ <id val="100001"/>
</idlist>
- <component type="detectors">
- <location />
+ <!--DETECTORS-->
+ <!--64 TUBES FORM ONE DETECTOR-->
+ <component idfillbyfirst="x" idstart="1" idstepbyrow="1" type="detector">
+ <location x="0.0" y="0.0" z="3.1"/>
</component>
- <!-- Detector Panels -->
- <type name="detectors">
- <component type="uniq_detector" idstart="257" idfillbyfirst="x" idstep="-1" idstepbyrow="256" name="uniq_detector">
- <location z="1.000" />
- </component>
- </type>
- <!-- Definition of the detector -->
- <type name="uniq_detector" is="rectangular_detector" type="pixel"
- xpixels="256" xstart="-0.153600" xstep="0.001200"
- ypixels="1" ystart="-0.003350" ystep="0.006700">
- <properties />
- </type>
- <!-- Pixel size = tubePixelSize * tubeWidth-->
+ <!--PIXEL, EACH PIXEL IS A DETECTOR-->
+ <type is="rectangular_detector" name="detector" type="pixel" xpixels="256" xstart="0.1523625" xstep="-0.001195" ypixels="1" ystart="0" ystep="0.48"/>
<type is="detector" name="pixel">
<cuboid id="pixel-shape">
- <left-front-bottom-point y="-0.005700" x="-0.000900" z="0.0" />
- <left-front-top-point y="0.005700" x="-0.000900" z="0.0" />
- <left-back-bottom-point y="-0.005700" x="-0.000900" z="-0.0001" />
- <right-front-bottom-point y="-0.005700" x="0.000900" z="0.0" />
+ <left-front-bottom-point x="-0.0005975" y="-0.24" z="0.0"/>
+ <left-front-top-point x="0.0005975" y="0.24" z="0.0"/>
+ <left-back-bottom-point x="-0.0005975" y="-0.24" z="-0.0001"/>
+ <right-front-bottom-point x="0.0005975" y="-0.24" z="0.0"/>
</cuboid>
- <algebra val="pixel-shape" />
+ <algebra val="pixel-shape"/>
</type>
</instrument>
+
diff --git a/instrument/D2B_Definition.xml b/instrument/D2B_Definition.xml
index 15a95097468f12bf8ca65ee720dc230e5558624d..38f88d24df125b0da213f4d02edc11e8b847a2b6 100644
--- a/instrument/D2B_Definition.xml
+++ b/instrument/D2B_Definition.xml
@@ -1,7 +1,7 @@
<?xml version="1.0" encoding="utf-8"?>
<!-- For help on the notation used to specify an Instrument Definition File see http://www.mantidproject.org/IDF -->
<instrument xmlns="http://www.mantidproject.org/IDF/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 Schema/IDFSchema.xsd" name="D2B" valid-from="1900-01-31 23:59:59"
-valid-to="2100-01-31 23:59:59" last-modified="2017-06-22 10:22:41">
+valid-to="2100-01-31 23:59:59" last-modified="2017-09-07 15:10:50">
<!-- Author: bush@ill.fr -->
<defaults>
<length unit="meter" />
@@ -49,134 +49,134 @@ valid-to="2100-01-31 23:59:59" last-modified="2017-06-22 10:22:41">
</component>
<type name="detectors">
<component type="standard_tube">
- <location r="1.296" t="165.0" name="tube_1" />
- <location r="1.296" t="163.75" name="tube_2" />
- <location r="1.296" t="162.5" name="tube_3" />
- <location r="1.296" t="161.25" name="tube_4" />
- <location r="1.296" t="160.0" name="tube_5" />
- <location r="1.296" t="158.75" name="tube_6" />
- <location r="1.296" t="157.5" name="tube_7" />
- <location r="1.296" t="156.25" name="tube_8" />
- <location r="1.296" t="155.0" name="tube_9" />
- <location r="1.296" t="153.75" name="tube_10" />
- <location r="1.296" t="152.5" name="tube_11" />
- <location r="1.296" t="151.25" name="tube_12" />
- <location r="1.296" t="150.0" name="tube_13" />
- <location r="1.296" t="148.75" name="tube_14" />
- <location r="1.296" t="147.5" name="tube_15" />
- <location r="1.296" t="146.25" name="tube_16" />
- <location r="1.296" t="145.0" name="tube_17" />
- <location r="1.296" t="143.75" name="tube_18" />
- <location r="1.296" t="142.5" name="tube_19" />
- <location r="1.296" t="141.25" name="tube_20" />
- <location r="1.296" t="140.0" name="tube_21" />
- <location r="1.296" t="138.75" name="tube_22" />
- <location r="1.296" t="137.5" name="tube_23" />
- <location r="1.296" t="136.25" name="tube_24" />
- <location r="1.296" t="135.0" name="tube_25" />
- <location r="1.296" t="133.75" name="tube_26" />
- <location r="1.296" t="132.5" name="tube_27" />
- <location r="1.296" t="131.25" name="tube_28" />
- <location r="1.296" t="130.0" name="tube_29" />
- <location r="1.296" t="128.75" name="tube_30" />
- <location r="1.296" t="127.5" name="tube_31" />
- <location r="1.296" t="126.25" name="tube_32" />
- <location r="1.296" t="125.0" name="tube_33" />
- <location r="1.296" t="123.75" name="tube_34" />
- <location r="1.296" t="122.5" name="tube_35" />
- <location r="1.296" t="121.25" name="tube_36" />
- <location r="1.296" t="120.0" name="tube_37" />
- <location r="1.296" t="118.75" name="tube_38" />
- <location r="1.296" t="117.5" name="tube_39" />
- <location r="1.296" t="116.25" name="tube_40" />
- <location r="1.296" t="115.0" name="tube_41" />
- <location r="1.296" t="113.75" name="tube_42" />
- <location r="1.296" t="112.5" name="tube_43" />
- <location r="1.296" t="111.25" name="tube_44" />
- <location r="1.296" t="110.0" name="tube_45" />
- <location r="1.296" t="108.75" name="tube_46" />
- <location r="1.296" t="107.5" name="tube_47" />
- <location r="1.296" t="106.25" name="tube_48" />
- <location r="1.296" t="105.0" name="tube_49" />
- <location r="1.296" t="103.75" name="tube_50" />
- <location r="1.296" t="102.5" name="tube_51" />
- <location r="1.296" t="101.25" name="tube_52" />
- <location r="1.296" t="100.0" name="tube_53" />
- <location r="1.296" t="98.75" name="tube_54" />
- <location r="1.296" t="97.5" name="tube_55" />
- <location r="1.296" t="96.25" name="tube_56" />
- <location r="1.296" t="95.0" name="tube_57" />
- <location r="1.296" t="93.75" name="tube_58" />
- <location r="1.296" t="92.5" name="tube_59" />
- <location r="1.296" t="91.25" name="tube_60" />
- <location r="1.296" t="90.0" name="tube_61" />
- <location r="1.296" t="88.75" name="tube_62" />
- <location r="1.296" t="87.5" name="tube_63" />
- <location r="1.296" t="86.25" name="tube_64" />
- <location r="1.296" t="85.0" name="tube_65" />
- <location r="1.296" t="83.75" name="tube_66" />
- <location r="1.296" t="82.5" name="tube_67" />
- <location r="1.296" t="81.25" name="tube_68" />
- <location r="1.296" t="80.0" name="tube_69" />
- <location r="1.296" t="78.75" name="tube_70" />
- <location r="1.296" t="77.5" name="tube_71" />
- <location r="1.296" t="76.25" name="tube_72" />
- <location r="1.296" t="75.0" name="tube_73" />
- <location r="1.296" t="73.75" name="tube_74" />
- <location r="1.296" t="72.5" name="tube_75" />
- <location r="1.296" t="71.25" name="tube_76" />
- <location r="1.296" t="70.0" name="tube_77" />
- <location r="1.296" t="68.75" name="tube_78" />
- <location r="1.296" t="67.5" name="tube_79" />
- <location r="1.296" t="66.25" name="tube_80" />
- <location r="1.296" t="65.0" name="tube_81" />
- <location r="1.296" t="63.75" name="tube_82" />
- <location r="1.296" t="62.5" name="tube_83" />
- <location r="1.296" t="61.25" name="tube_84" />
- <location r="1.296" t="60.0" name="tube_85" />
- <location r="1.296" t="58.75" name="tube_86" />
- <location r="1.296" t="57.5" name="tube_87" />
- <location r="1.296" t="56.25" name="tube_88" />
- <location r="1.296" t="55.0" name="tube_89" />
- <location r="1.296" t="53.75" name="tube_90" />
- <location r="1.296" t="52.5" name="tube_91" />
- <location r="1.296" t="51.25" name="tube_92" />
- <location r="1.296" t="50.0" name="tube_93" />
- <location r="1.296" t="48.75" name="tube_94" />
- <location r="1.296" t="47.5" name="tube_95" />
- <location r="1.296" t="46.25" name="tube_96" />
- <location r="1.296" t="45.0" name="tube_97" />
- <location r="1.296" t="43.75" name="tube_98" />
- <location r="1.296" t="42.5" name="tube_99" />
- <location r="1.296" t="41.25" name="tube_100" />
- <location r="1.296" t="40.0" name="tube_101" />
- <location r="1.296" t="38.75" name="tube_102" />
- <location r="1.296" t="37.5" name="tube_103" />
- <location r="1.296" t="36.25" name="tube_104" />
- <location r="1.296" t="35.0" name="tube_105" />
- <location r="1.296" t="33.75" name="tube_106" />
- <location r="1.296" t="32.5" name="tube_107" />
- <location r="1.296" t="31.25" name="tube_108" />
- <location r="1.296" t="30.0" name="tube_109" />
- <location r="1.296" t="28.75" name="tube_110" />
- <location r="1.296" t="27.5" name="tube_111" />
- <location r="1.296" t="26.25" name="tube_112" />
- <location r="1.296" t="25.0" name="tube_113" />
- <location r="1.296" t="23.75" name="tube_114" />
- <location r="1.296" t="22.5" name="tube_115" />
- <location r="1.296" t="21.25" name="tube_116" />
- <location r="1.296" t="20.0" name="tube_117" />
- <location r="1.296" t="18.75" name="tube_118" />
- <location r="1.296" t="17.5" name="tube_119" />
- <location r="1.296" t="16.25" name="tube_120" />
- <location r="1.296" t="15.0" name="tube_121" />
- <location r="1.296" t="13.75" name="tube_122" />
- <location r="1.296" t="12.5" name="tube_123" />
- <location r="1.296" t="11.25" name="tube_124" />
- <location r="1.296" t="10.0" name="tube_125" />
- <location r="1.296" t="8.75" name="tube_126" />
- <location r="1.296" t="7.5" name="tube_127" />
- <location r="1.296" t="6.25" name="tube_128" />
+ <location r="1.296" t="-6.25" name="tube_1" />
+ <location r="1.296" t="-7.5" name="tube_2" />
+ <location r="1.296" t="-8.75" name="tube_3" />
+ <location r="1.296" t="-10.0" name="tube_4" />
+ <location r="1.296" t="-11.25" name="tube_5" />
+ <location r="1.296" t="-12.5" name="tube_6" />
+ <location r="1.296" t="-13.75" name="tube_7" />
+ <location r="1.296" t="-15.0" name="tube_8" />
+ <location r="1.296" t="-16.25" name="tube_9" />
+ <location r="1.296" t="-17.5" name="tube_10" />
+ <location r="1.296" t="-18.75" name="tube_11" />
+ <location r="1.296" t="-20.0" name="tube_12" />
+ <location r="1.296" t="-21.25" name="tube_13" />
+ <location r="1.296" t="-22.5" name="tube_14" />
+ <location r="1.296" t="-23.75" name="tube_15" />
+ <location r="1.296" t="-25.0" name="tube_16" />
+ <location r="1.296" t="-26.25" name="tube_17" />
+ <location r="1.296" t="-27.5" name="tube_18" />
+ <location r="1.296" t="-28.75" name="tube_19" />
+ <location r="1.296" t="-30.0" name="tube_20" />
+ <location r="1.296" t="-31.25" name="tube_21" />
+ <location r="1.296" t="-32.5" name="tube_22" />
+ <location r="1.296" t="-33.75" name="tube_23" />
+ <location r="1.296" t="-35.0" name="tube_24" />
+ <location r="1.296" t="-36.25" name="tube_25" />
+ <location r="1.296" t="-37.5" name="tube_26" />
+ <location r="1.296" t="-38.75" name="tube_27" />
+ <location r="1.296" t="-40.0" name="tube_28" />
+ <location r="1.296" t="-41.25" name="tube_29" />
+ <location r="1.296" t="-42.5" name="tube_30" />
+ <location r="1.296" t="-43.75" name="tube_31" />
+ <location r="1.296" t="-45.0" name="tube_32" />
+ <location r="1.296" t="-46.25" name="tube_33" />
+ <location r="1.296" t="-47.5" name="tube_34" />
+ <location r="1.296" t="-48.75" name="tube_35" />
+ <location r="1.296" t="-50.0" name="tube_36" />
+ <location r="1.296" t="-51.25" name="tube_37" />
+ <location r="1.296" t="-52.5" name="tube_38" />
+ <location r="1.296" t="-53.75" name="tube_39" />
+ <location r="1.296" t="-55.0" name="tube_40" />
+ <location r="1.296" t="-56.25" name="tube_41" />
+ <location r="1.296" t="-57.5" name="tube_42" />
+ <location r="1.296" t="-58.75" name="tube_43" />
+ <location r="1.296" t="-60.0" name="tube_44" />
+ <location r="1.296" t="-61.25" name="tube_45" />
+ <location r="1.296" t="-62.5" name="tube_46" />
+ <location r="1.296" t="-63.75" name="tube_47" />
+ <location r="1.296" t="-65.0" name="tube_48" />
+ <location r="1.296" t="-66.25" name="tube_49" />
+ <location r="1.296" t="-67.5" name="tube_50" />
+ <location r="1.296" t="-68.75" name="tube_51" />
+ <location r="1.296" t="-70.0" name="tube_52" />
+ <location r="1.296" t="-71.25" name="tube_53" />
+ <location r="1.296" t="-72.5" name="tube_54" />
+ <location r="1.296" t="-73.75" name="tube_55" />
+ <location r="1.296" t="-75.0" name="tube_56" />
+ <location r="1.296" t="-76.25" name="tube_57" />
+ <location r="1.296" t="-77.5" name="tube_58" />
+ <location r="1.296" t="-78.75" name="tube_59" />
+ <location r="1.296" t="-80.0" name="tube_60" />
+ <location r="1.296" t="-81.25" name="tube_61" />
+ <location r="1.296" t="-82.5" name="tube_62" />
+ <location r="1.296" t="-83.75" name="tube_63" />
+ <location r="1.296" t="-85.0" name="tube_64" />
+ <location r="1.296" t="-86.25" name="tube_65" />
+ <location r="1.296" t="-87.5" name="tube_66" />
+ <location r="1.296" t="-88.75" name="tube_67" />
+ <location r="1.296" t="-90.0" name="tube_68" />
+ <location r="1.296" t="-91.25" name="tube_69" />
+ <location r="1.296" t="-92.5" name="tube_70" />
+ <location r="1.296" t="-93.75" name="tube_71" />
+ <location r="1.296" t="-95.0" name="tube_72" />
+ <location r="1.296" t="-96.25" name="tube_73" />
+ <location r="1.296" t="-97.5" name="tube_74" />
+ <location r="1.296" t="-98.75" name="tube_75" />
+ <location r="1.296" t="-100.0" name="tube_76" />
+ <location r="1.296" t="-101.25" name="tube_77" />
+ <location r="1.296" t="-102.5" name="tube_78" />
+ <location r="1.296" t="-103.75" name="tube_79" />
+ <location r="1.296" t="-105.0" name="tube_80" />
+ <location r="1.296" t="-106.25" name="tube_81" />
+ <location r="1.296" t="-107.5" name="tube_82" />
+ <location r="1.296" t="-108.75" name="tube_83" />
+ <location r="1.296" t="-110.0" name="tube_84" />
+ <location r="1.296" t="-111.25" name="tube_85" />
+ <location r="1.296" t="-112.5" name="tube_86" />
+ <location r="1.296" t="-113.75" name="tube_87" />
+ <location r="1.296" t="-115.0" name="tube_88" />
+ <location r="1.296" t="-116.25" name="tube_89" />
+ <location r="1.296" t="-117.5" name="tube_90" />
+ <location r="1.296" t="-118.75" name="tube_91" />
+ <location r="1.296" t="-120.0" name="tube_92" />
+ <location r="1.296" t="-121.25" name="tube_93" />
+ <location r="1.296" t="-122.5" name="tube_94" />
+ <location r="1.296" t="-123.75" name="tube_95" />
+ <location r="1.296" t="-125.0" name="tube_96" />
+ <location r="1.296" t="-126.25" name="tube_97" />
+ <location r="1.296" t="-127.5" name="tube_98" />
+ <location r="1.296" t="-128.75" name="tube_99" />
+ <location r="1.296" t="-130.0" name="tube_100" />
+ <location r="1.296" t="-131.25" name="tube_101" />
+ <location r="1.296" t="-132.5" name="tube_102" />
+ <location r="1.296" t="-133.75" name="tube_103" />
+ <location r="1.296" t="-135.0" name="tube_104" />
+ <location r="1.296" t="-136.25" name="tube_105" />
+ <location r="1.296" t="-137.5" name="tube_106" />
+ <location r="1.296" t="-138.75" name="tube_107" />
+ <location r="1.296" t="-140.0" name="tube_108" />
+ <location r="1.296" t="-141.25" name="tube_109" />
+ <location r="1.296" t="-142.5" name="tube_110" />
+ <location r="1.296" t="-143.75" name="tube_111" />
+ <location r="1.296" t="-145.0" name="tube_112" />
+ <location r="1.296" t="-146.25" name="tube_113" />
+ <location r="1.296" t="-147.5" name="tube_114" />
+ <location r="1.296" t="-148.75" name="tube_115" />
+ <location r="1.296" t="-150.0" name="tube_116" />
+ <location r="1.296" t="-151.25" name="tube_117" />
+ <location r="1.296" t="-152.5" name="tube_118" />
+ <location r="1.296" t="-153.75" name="tube_119" />
+ <location r="1.296" t="-155.0" name="tube_120" />
+ <location r="1.296" t="-156.25" name="tube_121" />
+ <location r="1.296" t="-157.5" name="tube_122" />
+ <location r="1.296" t="-158.75" name="tube_123" />
+ <location r="1.296" t="-160.0" name="tube_124" />
+ <location r="1.296" t="-161.25" name="tube_125" />
+ <location r="1.296" t="-162.5" name="tube_126" />
+ <location r="1.296" t="-163.75" name="tube_127" />
+ <location r="1.296" t="-165.0" name="tube_128" />
</component>
</type>
<!-- Definition of standard_tube -->
diff --git a/instrument/Facilities.xml b/instrument/Facilities.xml
index 626db9ec6ac762edfe5ea0aa9eba2ce7b40ff876..79919f8379b69c8ba17f3cf3b0a85bb1b49e5ae3 100644
--- a/instrument/Facilities.xml
+++ b/instrument/Facilities.xml
@@ -363,6 +363,11 @@
</livedata>
</instrument>
+ <instrument name="ZOOM">
+ <technique>Small Angle Scattering</technique>
+ <zeropadding size="8"/>
+ </instrument>
+
</facility>
@@ -492,6 +497,9 @@
<instrument name="VULCAN" beamline="7">
<technique>Neutron Diffraction</technique>
+ <livedata>
+ <connection name="event" address="bl7-daq1.sns.gov:31415" listener="SNSLiveEventDataListener" />
+ </livedata>
</instrument>
<instrument name="CORELLI" beamline="9">
@@ -647,6 +655,10 @@
<technique>Reflectometry</technique>
</instrument>
+ <instrument name="Figaro">
+ <technique>Reflectometry</technique>
+ </instrument>
+
</facility>
<facility name="SINQ" FileExtensions=".hdf">
@@ -815,11 +827,6 @@
</livedata>
</instrument>
- <instrument name="ZOOM">
- <technique>Small Angle Scattering</technique>
- <zeropadding size="8"/>
- </instrument>
-
</facility>
</facilities>
diff --git a/instrument/Figaro_Definition.xml b/instrument/Figaro_Definition.xml
new file mode 100644
index 0000000000000000000000000000000000000000..798b3a80c197de35ff7283725d494494c26def4d
--- /dev/null
+++ b/instrument/Figaro_Definition.xml
@@ -0,0 +1,97 @@
+<?xml version='1.0' encoding='ASCII'?>
+<instrument xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.mantidproject.org/IDF/1.0" last-modified="2017-08-24 15:47:15.443505" name="Figaro" valid-from="2017-01-31 23:59:59" valid-to="2100-01-31 23:59:59" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd">
+ <!-- This is the instrument definition file of the figaro reflectometer at the ILL.
+ Generated file, PLEASE DO NOT EDIT THIS FILE!
+ This file was automatically generated by mandidgeometry/ILL/IDF/figaro_generatorIDF.py
+
+ z axis defines the direction of the direct beam
+ y axis will be the axis used for rotation in the LoadILLReflectometry algorithm
+ coordinate system is right-handed
+
+ y axis rotation defined by theta
+ x axis rotation defined by phi
+ z axis rotation defined by chi
+
+ ILL 3He tubular Aluminium monoblock - width x direction, height y direction
+
+ Incident wavelength range 2 - 30 Angstroms
+
+ The multitube detector is of size 500 mm x 250 mm and flat, its shape is rectangular
+ Its resolution is 7 mm x 2 mm
+ Sample-detector distance is 1.0 m - 2.8 m (3 m in text)
+ Dead-time 34 ns
+
+ It consists of 64 horizontal tubes, each has a height of 7.4 mm
+ It consists of 256 pixels. each about 1.2 mm wide
+
+ Beam area at sample position 40 mm x 10 mm (width x height)
+ Scattering plane is vertical
+ Q-range, up 0.0045 - 0.42 A-1
+ Q-range, down 0.0045 - 0.27 A-1
+
+ For more information, please visit
+ https://www.ill.eu/instruments-support/instruments-groups/instruments/figaro/characteristics/
+ -->
+ <defaults>
+ <length unit="metre"/>
+ <angle unit="degree"/>
+ <reference-frame>
+ <along-beam axis="z"/>
+ <pointing-up axis="y"/>
+ <handedness val="right"/>
+ </reference-frame>
+ </defaults>
+ <!--SOURCE-->
+ <component type="chopper1">
+ <location x="0.0" y="0.0" z="-0.338"/>
+ </component>
+ <type is="Source" name="chopper1"/>
+ <!--Sample position-->
+ <component type="sample_position">
+ <location x="0.0" y="0.0" z="0.0"/>
+ </component>
+ <type is="SamplePos" name="sample_position"/>
+ <!--MONITORS-->
+ <component idlist="monitors" type="monitors">
+ <location/>
+ </component>
+ <type name="monitors">
+ <component type="monitor">
+ <location name="monitor1" z="0.0181"/>
+ <location name="monitor2" z="-0.338"/>
+ </component>
+ </type>
+ <!--MONITOR SHAPE-->
+ <!--FIXME: Do something real here.-->
+ <type is="monitor" name="monitor">
+ <cylinder id="cyl-approx">
+ <centre-of-bottom-base p="0.0" r="0.0" t="0.0"/>
+ <axis x="0.0" y="0.0" z="1.0"/>
+ <radius val="0.01"/>
+ <height val="0.03"/>
+ </cylinder>
+ <algebra val="cyl-approx"/>
+ </type>
+ <!--MONITOR IDs-->
+ <idlist idname="monitors">
+ <id val="100000"/>
+ <id val="100001"/>
+ </idlist>
+ <!--DETECTORS-->
+ <!--64 tubes form the detector-->
+ <component idfillbyfirst="x" idstart="1" idstepbyrow="1" type="detector">
+ <location x="0.0" y="0.0" z="1.0"/>
+ </component>
+ <!--PIXEL, EACH PIXEL IS A DETECTOR-->
+ <type is="rectangular_detector" name="detector" type="pixel" xpixels="1" xstart="0" xstep="0.5" ypixels="256" ystart="-0.125" ystep="0.0009765625"/>
+ <type is="detector" name="pixel">
+ <cuboid id="pixel-shape">
+ <left-front-bottom-point x="-0.25" y="-0.00048828125" z="0.00345"/>
+ <left-front-top-point x="0.25" y="0.00048828125" z="0.00345"/>
+ <left-back-bottom-point x="-0.25" y="-0.00048828125" z="-0.00345"/>
+ <right-front-bottom-point x="0.25" y="-0.00048828125" z="0.00345"/>
+ </cuboid>
+ <algebra val="pixel-shape"/>
+ </type>
+</instrument>
+
diff --git a/instrument/IN4_Parameters.xml b/instrument/IN4_Parameters.xml
index bf6592e161e90a68226eda4b97dfe3fd6d1b1a45..0e8ef605772c9241cde72665584bf35d4c23e7f5 100644
--- a/instrument/IN4_Parameters.xml
+++ b/instrument/IN4_Parameters.xml
@@ -17,7 +17,34 @@
See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
- <value val="0.951*exp(-0.0887/sqrt(e))*(1.0-exp(-5.597/sqrt(e)))" />
+ <value val="0.951*exp(-0.0887/sqrt(e))*(1-exp(-5.597/sqrt(e)))" />
+ </parameter>
+ <!-- Default monitor spectrum number for monitor normalisation. -->
+ <parameter name="default-incident-monitor-spectrum" type="int">
+ <value val="397" />
+ </parameter>
+ <!-- Preferred scaling after normalisation to monitor counts. -->
+ <parameter name="scaling_after_monitor_normalisation">
+ <value val="1000" />
+ </parameter>
+ <!-- MergeRuns behavior when merging sample logs. -->
+ <parameter name="sample_logs_sum" type="string">
+ <value val="actual_time, Detector.detsum, Detector_Rosace.detsum, duration, monitor.monsum" />
+ </parameter>
+ <parameter name="sample_logs_time_series" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn_tolerances" type="string">
+ <value val="1.0" />
+ </parameter>
+ <parameter name="sample_logs_fail" type="string">
+ <value val="monitor.time_of_flight_0, monitor.time_of_flight_1, monitor.time_of_flight_2" />
+ </parameter>
+ <parameter name="sample_logs_fail_tolerances" type="string">
+ <value val="0, 0, 0" />
</parameter>
</component-link>
diff --git a/instrument/IN5_Parameters.xml b/instrument/IN5_Parameters.xml
index c1565b88d52a490bdc08dd2761a858eab887c71a..d6772afac080980786962206230acd3b581bd1ea 100644
--- a/instrument/IN5_Parameters.xml
+++ b/instrument/IN5_Parameters.xml
@@ -17,7 +17,59 @@
See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
- <value val="exp(-0.0565/sqrt(e))*(1.0-exp(-3.284/sqrt(e)))" />
+ <value val="1-exp(-5.6/sqrt(e))" />
+ </parameter>
+
+ <!-- Default monitor spectrum number for monitor normalisation. -->
+ <parameter name="default-incident-monitor-spectrum" type="int">
+ <value val="98305" />
+ </parameter>
+ <!-- Preferred scaling after normalisation to monitor counts. -->
+ <parameter name="scaling_after_monitor_normalisation">
+ <value val="100000" />
+ </parameter>
+ <parameter name="enable_flat_background_subtraction" type="bool">
+ <value val="false" />
+ </parameter>
+ <parameter name="enable_background_diagnostics" type="bool">
+ <value val="false" />
+ </parameter>
+ <parameter name="enable_elastic_peak_diagnostics" type="bool">
+ <value val="false" />
+ </parameter>
+ <parameter name="beam_stop_diagnostics_spectra" type="string">
+ <value val="84861-84870, 85114-85129, 85367-85388, 85620-85647, 85873-85906, 86126-86165, 86379-86424, 86632-86683, 86885-86942, 87138-87201, 87391-87460, 87644-87719, 87897-87978, 88150-88237, 88403-88496, 88656-88755, 88909-89014, 89162-89273, 89415-89532, 89668-89791, 89921-90050, 90177-90306, 90436-90559, 90695-90812, 90954-91065, 91213-91318, 91472-91571, 91731-91824, 91990-92077, 92249-92330, 92508-92583, 92767-92836, 93026-93089, 93285-93342, 93544-93595, 93803-93848, 94062-94101, 94321-94354, 94580-94607, 94839-94860, 95098-95113, 95357-95366"/>
+ </parameter>
+ <parameter name="enable_incident_energy_calibration" type="bool">
+ <value val="false" />
+ </parameter>
+ <parameter name="enable_elastic_peak_fitting" type="bool">
+ <value val="false" />
+ </parameter>
+ <parameter name="enable_elastic_channel_fitting" type="bool">
+ <value val="true" />
+ </parameter>
+ <parameter name="Workflow.MaskFile" type="string">
+ <value val="IN5_Mask.xml" />
+ </parameter>
+ <!-- MergeRuns behavior when merging sample logs. -->
+ <parameter name="sample_logs_sum" type="string">
+ <value val="Detector.detsum, duration, monitor.monsum" />
+ </parameter>
+ <parameter name="sample_logs_time_series" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn_tolerances" type="string">
+ <value val="1.0" />
+ </parameter>
+ <parameter name="sample_logs_fail" type="string">
+ <value val="monitor.time_of_flight_0, monitor.time_of_flight_1, monitor.time_of_flight_2" />
+ </parameter>
+ <parameter name="sample_logs_fail_tolerances" type="string">
+ <value val="0, 0, 0" />
</parameter>
</component-link>
diff --git a/instrument/IN6_Parameters.xml b/instrument/IN6_Parameters.xml
index 6395558d05c47cff743bd401e1c0ace62cc110fc..a08765e7ded044f47544fbebf497a61bca0e2443 100644
--- a/instrument/IN6_Parameters.xml
+++ b/instrument/IN6_Parameters.xml
@@ -17,7 +17,36 @@
See http://muparser.sourceforge.net/mup_features.html#idDef2 for available
operators -->
<parameter name="formula_eff" type="string">
- <value val="exp(-0.0565/sqrt(e))*(1.0-exp(-3.284/sqrt(e)))" />
+ <!-- The xml escape sequence > below means 'greater than' -->
+ <value val="e > 5.113 ? 0.94*(1-exp(-3.284/sqrt(e))) : exp(-0.0565/sqrt(e))*(1-exp(-3.284/sqrt(e)))" />
+ </parameter>
+
+ <!-- Default monitor spectrum number for monitor normalisation. -->
+ <parameter name="default-incident-monitor-spectrum" type="int">
+ <value val="338" />
+ </parameter>
+ <!-- Preferred scaling after normalisation to monitor counts. -->
+ <parameter name="scaling_after_monitor_normalisation">
+ <value val="1000" />
+ </parameter>
+ <!-- MergeRuns behavior when merging sample logs. -->
+ <parameter name="sample_logs_sum" type="string">
+ <value val="Detector.detsum, duration, monitor1.monsum" />
+ </parameter>
+ <parameter name="sample_logs_time_series" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn" type="string">
+ <value val="sample.temperature" />
+ </parameter>
+ <parameter name="sample_logs_warn_tolerances" type="string">
+ <value val="1.0" />
+ </parameter>
+ <parameter name="sample_logs_fail" type="string">
+ <value val="monitor1.time_of_flight_0, monitor1.time_of_flight_1, monitor1.time_of_flight_2" />
+ </parameter>
+ <parameter name="sample_logs_fail_tolerances" type="string">
+ <value val="0, 0, 0" />
</parameter>
</component-link>
diff --git a/instrument/MERLIN_Definition_2017_02.xml b/instrument/MERLIN_Definition_2017_02.xml
new file mode 100644
index 0000000000000000000000000000000000000000..062b2d9b1923f5805d38768d5ba07af50ff5e7da
--- /dev/null
+++ b/instrument/MERLIN_Definition_2017_02.xml
@@ -0,0 +1,881 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!-- For help on the notation used to specify an Instrument Definition File
+ see http://www.mantidproject.org/IDF -->
+<instrument xmlns="http://www.mantidproject.org/IDF/1.0"
+ xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+ xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd"
+ name="MERLIN" valid-from ="2017-09-12 11:00:01"
+ valid-to ="2100-01-31 23:59:59"
+ last-modified="2017-09-11 14:00:05">
+
+ <defaults>
+ <length unit="meter"/>
+ <angle unit="degree"/>
+ <reference-frame>
+ <!-- The z-axis is set parallel to and in the direction of the beam. the
+ y-axis points up and the coordinate system is right handed. -->
+ <along-beam axis="z"/>
+ <pointing-up axis="y"/>
+ <handedness val="right"/>
+ </reference-frame>
+ <default-view view="cylindrical_y"/>
+ </defaults>
+
+
+ <!-- DESCRIPTION OF INSTRUMENT IN WORDS:
+
+ The data for Merlin was obtained from Robert Bewley.
+
+ 2012-05-17 - added names to tubes
+ 2013-11-14 - use locations tag in tube definitions
+ 2017-09-11 - change to 512 detectors per tube
+ -->
+
+
+ <!-- SOURCE AND SAMPLE POSITION -->
+
+ <component type="undulator">
+ <location z="-11.8" />
+ </component>
+ <type name="undulator" is="Source"> </type>
+
+ <component type="sample-position">
+ <location />
+ </component>
+ <type name="sample-position" is="SamplePos"></type>
+
+ <!-- Aperture -->
+ <component type="aperture" name="aperture">
+ <location z="-10.1"/>
+ </component>
+
+ <type name="aperture">
+ <cuboid id="aperture0">
+ <left-front-bottom-point x="0.047" y="-0.047" z="-0.0001" />
+ <left-front-top-point x="0.047" y="-0.047" z="0.0001" />
+ <left-back-bottom-point x="-0.047" y="-0.047" z="-0.0001" />
+ <right-front-bottom-point x="0.047" y="0.047" z="-0.0001" />
+ </cuboid>
+ <algebra val="aperture0" />
+ </type>
+
+ <!-- Chopper position -->
+ <component type="chopper-position">
+ <location z="-1.8"/>
+ <!--description is="The component provides sample-choper distance, used
+ to estimate chopper delay time and Tobyfit resolution calculations."/-->
+ <parameter name="initial_phase">
+ <value val="-490000."/>
+ <description is="The initial rotation phase of the disk used to caluclate the time
+ for neutrons arriving at the chopper according to the formula time = delay + initial_phase/Speed"/>
+ </parameter>
+ <parameter name="ChopperDelayLog" type="string">
+ <value val="Chopper_delay"/>
+ </parameter>
+ <parameter name="ChopperSpeedLog" type="string">
+ <value val="Chopper_Speed"/>
+ </parameter>
+ <parameter name="FilterBaseLog" type="string">
+ <value val="good_uah_log"/>
+ </parameter>
+ <!-- if the log above should be used as it is or
+ one should calculate its derivative -->
+ <parameter name="filter_with_derivative" type="bool">
+ <value val="True"/>
+ </parameter>
+
+ </component>
+ <type name="chopper-position" is="ChopperPos"></type>
+
+
+ <!-- DETECTORS -->
+
+ <component type="door1" idlist="door1">
+ <location />
+ </component>
+
+ <!-- Uncomment to include door 6. If this is done you MUST also
+ uncomment the <idlist name="door6"> at the bottom of this file
+ -->
+ <component type="door2" idlist="door2">
+ <location />
+ </component>
+
+ <component type="door3" idlist="door3">
+ <location />
+ </component>
+
+ <component type="door4" idlist="door4">
+ <location />
+ </component>
+
+ <component type="door5" idlist="door5">
+ <location />
+ </component>
+
+ <component type="door6" idlist="door6">
+ <location />
+ </component>
+
+ <component type="door7" idlist="door7">
+ <location />
+ </component>
+
+ <component type="door8" idlist="door8">
+ <location />
+ </component>
+
+ <component type="door9" idlist="door9">
+ <location />
+ </component>
+
+ <component type="monitors" idlist="monitors">
+ <location />
+ </component>
+
+ <type name="monitors">
+ <component type="monitor">
+ <location r="3.25800" t="180.0" p="0.0" />
+ <location r="1.50400" t="180.0" p="0.0" />
+ <location r="1.50400" t="180.0" p="0.0" />
+ <location r="1.50400" t="180.0" p="0.0" />
+ <location r="1.50400" t="180.0" p="0.0" />
+ <location r="4.24700" t="0.000" p="0.0" />
+ <location r="4.24700" t="0.000" p="0.0" />
+ <location r="4.24700" t="0.000" p="0.0" />
+ <location r="4.24700" t="0.000" p="0.0" />
+ </component>
+ </type>
+
+ <type name="door1">
+ <component type="standard-tube">
+ <location r="2.5" t="-45.01000" name="tube_1_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-44.37977" name="tube_1_2" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-43.74954" name="tube_1_3" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-43.11931" name="tube_1_4" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-42.48908" name="tube_1_5" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-41.85885" name="tube_1_6" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-41.22862" name="tube_1_7" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-40.59839" name="tube_1_8" > <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-39.97000" name="tube_2_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-39.33977" name="tube_2_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-38.70954" name="tube_2_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-38.07931" name="tube_2_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-37.44908" name="tube_2_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-36.81885" name="tube_2_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-36.18862" name="tube_2_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-35.55839" name="tube_2_8"> <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-34.93000" name="tube_3_1"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-34.29977" name="tube_3_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-33.66954" name="tube_3_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-33.03931" name="tube_3_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-32.40908" name="tube_3_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-31.77885" name="tube_3_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-31.14863" name="tube_3_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-30.51840" name="tube_3_8"> <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-29.89001" name="tube_4_1"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-29.25978" name="tube_4_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-28.62955" name="tube_4_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-27.99932" name="tube_4_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-27.36909" name="tube_4_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-26.73886" name="tube_4_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-26.10863" name="tube_4_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-25.47840" name="tube_4_8"> <facing x="0" y="0" z="0"/> </location>
+ </component>
+ </type>
+
+ <type name="door2">
+ <component type="standard-tube">
+ <location r="2.5" t="-23.57801" name="tube_1_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-22.94778" name="tube_1_2" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-22.31755" name="tube_1_3" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-21.68732" name="tube_1_4" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-21.05709" name="tube_1_5" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-20.42686" name="tube_1_6" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-19.79664" name="tube_1_7" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-19.16641" name="tube_1_8" > <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-18.53802" name="tube_2_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-17.90779" name="tube_2_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-17.27756" name="tube_2_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-16.64733" name="tube_2_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-16.01710" name="tube_2_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-15.38687" name="tube_2_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-14.75664" name="tube_2_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-14.12642" name="tube_2_8"> <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-13.49803" name="tube_3_1"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-12.86780" name="tube_3_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-12.23757" name="tube_3_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-11.60734" name="tube_3_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-10.97712" name="tube_3_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-10.34689" name="tube_3_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-9.716660" name="tube_3_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-9.086440" name="tube_3_8"> <facing x="0" y="0" z="0"/> </location>
+
+ <location r="2.5" t="-8.458050" name="tube_4_1"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-7.827830" name="tube_4_2"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-7.197600" name="tube_4_3"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-6.567380" name="tube_4_4"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-5.937160" name="tube_4_5"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-5.306940" name="tube_4_6"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-4.676720" name="tube_4_7"> <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="-4.046510" name="tube_4_8"> <facing x="0" y="0" z="0"/> </location>
+ </component>
+ </type>
+
+ <type name="door3">
+ <component type="straight-through-beam-tube" >
+ <location r="2.50937" t="5.41821" p="113.91585" name="tube_1_1" > </location>
+ <location r="2.50937" t="5.19467" p="107.56693" name="tube_1_2" > </location>
+ <location r="2.50937" t="5.04030" p="100.73910" name="tube_1_3" > </location>
+ <location r="2.50937" t="4.96155" p="93.58839" name="tube_1_4"> </location>
+ <location r="2.50937" t="4.96203" p="86.32413" name="tube_1_5"> </location>
+ <location r="2.50937" t="5.04172" p="79.17615" name="tube_1_6"> </location>
+ <location r="2.50937" t="5.19697" p="72.35330" name="tube_1_7"> </location>
+ <location r="2.50937" t="5.42130" p="66.01085" name="tube_1_8"> </location>
+
+ <location r="2.88977" t="30.17630" p="-93.79165" name="tube_2_1" > </location>
+ <location r="2.88977" t="30.14056" p="-92.70872" name="tube_2_2"> </location>
+ <location r="2.88977" t="30.11674" p="-91.62351" name="tube_2_3"> </location>
+ <location r="2.88977" t="30.10486" p="-90.53695" name="tube_2_4"> </location>
+ <location r="2.88977" t="30.10493" p="-89.44993" name="tube_2_5"> </location>
+ <location r="2.88977" t="30.11696" p="-88.36337" name="tube_2_6"> </location>
+ <location r="2.88977" t="30.14092" p="-87.27819" name="tube_2_7"> </location>
+ <location r="2.88977" t="30.17680" p="-86.19529" name="tube_2_8"> </location>
+ </component>
+ <component type="standard-tube">
+ <location r="2.5" t="2.838180 " name="tube_3_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="3.468370 " name="tube_3_2" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="4.098580 " name="tube_3_3" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="4.728790 " name="tube_3_4" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="5.359010 " name="tube_3_5" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="5.989230 " name="tube_3_6" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="6.619450 " name="tube_3_7" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="7.249670 " name="tube_3_8" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="7.878060 " name="tube_4_1" > <facing x="0" y="0" z="0"/> </location>
+ <location r="2.5" t="8.508280 " name="tube_4_2"> <facing x="0" y="0" z="0"/> </location>
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+ </component>
+ </type>
+
+ <type name="door4">
+ <component type="standard-tube">
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+
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+
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+ <id start="4310001" end="4310512" />
+ <id start="4320001" end="4320512" />
+ <id start="4330001" end="4330512" />
+ <id start="4340001" end="4340512" />
+ <id start="4350001" end="4350512" />
+ <id start="4360001" end="4360512" />
+ <id start="4370001" end="4370512" />
+ <id start="4380001" end="4380512" />
+ <id start="4410001" end="4410512" />
+ <id start="4420001" end="4420512" />
+ <id start="4430001" end="4430512" />
+ <id start="4440001" end="4440512" />
+ <id start="4450001" end="4450512" />
+ <id start="4460001" end="4460512" />
+ <id start="4470001" end="4470512" />
+ <id start="4480001" end="4480512" />
+ </idlist>
+
+ <idlist idname="door5">
+ <id start="5110001" end="5110512" />
+ <id start="5120001" end="5120512" />
+ <id start="5130001" end="5130512" />
+ <id start="5140001" end="5140512" />
+ <id start="5150001" end="5150512" />
+ <id start="5160001" end="5160512" />
+ <id start="5170001" end="5170512" />
+ <id start="5180001" end="5180512" />
+ <id start="5210001" end="5210512" />
+ <id start="5220001" end="5220512" />
+ <id start="5230001" end="5230512" />
+ <id start="5240001" end="5240512" />
+ <id start="5250001" end="5250512" />
+ <id start="5260001" end="5260512" />
+ <id start="5270001" end="5270512" />
+ <id start="5280001" end="5280512" />
+ <id start="5310001" end="5310512" />
+ <id start="5320001" end="5320512" />
+ <id start="5330001" end="5330512" />
+ <id start="5340001" end="5340512" />
+ <id start="5350001" end="5350512" />
+ <id start="5360001" end="5360512" />
+ <id start="5370001" end="5370512" />
+ <id start="5380001" end="5380512" />
+ <id start="5410001" end="5410512" />
+ <id start="5420001" end="5420512" />
+ <id start="5430001" end="5430512" />
+ <id start="5440001" end="5440512" />
+ <id start="5450001" end="5450512" />
+ <id start="5460001" end="5460512" />
+ <id start="5470001" end="5470512" />
+ <id start="5480001" end="5480512" />
+ </idlist>
+
+ <idlist idname="door6">
+ <id start="6110001" end="6110512" />
+ <id start="6120001" end="6120512" />
+ <id start="6130001" end="6130512" />
+ <id start="6140001" end="6140512" />
+ <id start="6150001" end="6150512" />
+ <id start="6160001" end="6160512" />
+ <id start="6170001" end="6170512" />
+ <id start="6180001" end="6180512" />
+ <id start="6210001" end="6210512" />
+ <id start="6220001" end="6220512" />
+ <id start="6230001" end="6230512" />
+ <id start="6240001" end="6240512" />
+ <id start="6250001" end="6250512" />
+ <id start="6260001" end="6260512" />
+ <id start="6270001" end="6270512" />
+ <id start="6280001" end="6280512" />
+ <id start="6310001" end="6310512" />
+ <id start="6320001" end="6320512" />
+ <id start="6330001" end="6330512" />
+ <id start="6340001" end="6340512" />
+ <id start="6350001" end="6350512" />
+ <id start="6360001" end="6360512" />
+ <id start="6370001" end="6370512" />
+ <id start="6380001" end="6380512" />
+ <id start="6410001" end="6410512" />
+ <id start="6420001" end="6420512" />
+ <id start="6430001" end="6430512" />
+ <id start="6440001" end="6440512" />
+ <id start="6450001" end="6450512" />
+ <id start="6460001" end="6460512" />
+ <id start="6470001" end="6470512" />
+ <id start="6480001" end="6480512" />
+ </idlist>
+
+ <idlist idname="door7">
+ <id start="7110001" end="7110512" />
+ <id start="7120001" end="7120512" />
+ <id start="7130001" end="7130512" />
+ <id start="7140001" end="7140512" />
+ <id start="7150001" end="7150512" />
+ <id start="7160001" end="7160512" />
+ <id start="7170001" end="7170512" />
+ <id start="7180001" end="7180512" />
+ <id start="7210001" end="7210512" />
+ <id start="7220001" end="7220512" />
+ <id start="7230001" end="7230512" />
+ <id start="7240001" end="7240512" />
+ <id start="7250001" end="7250512" />
+ <id start="7260001" end="7260512" />
+ <id start="7270001" end="7270512" />
+ <id start="7280001" end="7280512" />
+ <id start="7310001" end="7310512" />
+ <id start="7320001" end="7320512" />
+ <id start="7330001" end="7330512" />
+ <id start="7340001" end="7340512" />
+ <id start="7350001" end="7350512" />
+ <id start="7360001" end="7360512" />
+ <id start="7370001" end="7370512" />
+ <id start="7380001" end="7380512" />
+ <id start="7410001" end="7410512" />
+ <id start="7420001" end="7420512" />
+ <id start="7430001" end="7430512" />
+ <id start="7440001" end="7440512" />
+ <id start="7450001" end="7450512" />
+ <id start="7460001" end="7460512" />
+ <id start="7470001" end="7470512" />
+ <id start="7480001" end="7480512" />
+ </idlist>
+
+ <idlist idname="door8">
+ <id start="8110001" end="8110512" />
+ <id start="8120001" end="8120512" />
+ <id start="8130001" end="8130512" />
+ <id start="8140001" end="8140512" />
+ <id start="8150001" end="8150512" />
+ <id start="8160001" end="8160512" />
+ <id start="8170001" end="8170512" />
+ <id start="8180001" end="8180512" />
+ <id start="8210001" end="8210512" />
+ <id start="8220001" end="8220512" />
+ <id start="8230001" end="8230512" />
+ <id start="8240001" end="8240512" />
+ <id start="8250001" end="8250512" />
+ <id start="8260001" end="8260512" />
+ <id start="8270001" end="8270512" />
+ <id start="8280001" end="8280512" />
+ <id start="8310001" end="8310512" />
+ <id start="8320001" end="8320512" />
+ <id start="8330001" end="8330512" />
+ <id start="8340001" end="8340512" />
+ <id start="8350001" end="8350512" />
+ <id start="8360001" end="8360512" />
+ <id start="8370001" end="8370512" />
+ <id start="8380001" end="8380512" />
+ </idlist>
+
+ <idlist idname="door9">
+ <id start="9110001" end="9110512" />
+ <id start="9120001" end="9120512" />
+ <id start="9130001" end="9130512" />
+ <id start="9140001" end="9140512" />
+ <id start="9150001" end="9150512" />
+ <id start="9160001" end="9160512" />
+ <id start="9170001" end="9170512" />
+ <id start="9180001" end="9180512" />
+ <id start="9210001" end="9210512" />
+ <id start="9220001" end="9220512" />
+ <id start="9230001" end="9230512" />
+ <id start="9240001" end="9240512" />
+ <id start="9250001" end="9250512" />
+ <id start="9260001" end="9260512" />
+ <id start="9270001" end="9270512" />
+ <id start="9280001" end="9280512" />
+ <id start="9310001" end="9310512" />
+ <id start="9320001" end="9320512" />
+ <id start="9330001" end="9330512" />
+ <id start="9340001" end="9340512" />
+ <id start="9350001" end="9350512" />
+ <id start="9360001" end="9360512" />
+ <id start="9370001" end="9370512" />
+ <id start="9380001" end="9380512" />
+ </idlist>
+
+ <!-- DETECTOR PARAMETERS -->
+ <component-link name="monitors">
+ <parameter name="DelayTime">
+ <value units="microseconds" val="0"/>
+ </parameter>
+ </component-link>
+
+ <!-- Set the same across the reset of the instrument -->
+ <component-link name = "MERLIN">
+ <parameter name="TubePressure">
+ <value units="atm" val="10.0"/>
+ </parameter>
+ <parameter name="TubeThickness">
+ <value units="metre" val="0.0008"/>
+ </parameter>
+ <parameter name="DelayTime">
+ <value units="microseconds" val="-5.3"/>
+ </parameter>
+ </component-link>
+
+
+</instrument>
diff --git a/instrument/MERLIN_Definition_after2013_4.xml b/instrument/MERLIN_Definition_after2013_4.xml
index 4bb893e054a38bf4804f602fffac62d6dc918b69..be7883a7525425a6ffe594d089b0d9ce5889592d 100644
--- a/instrument/MERLIN_Definition_after2013_4.xml
+++ b/instrument/MERLIN_Definition_after2013_4.xml
@@ -5,8 +5,8 @@
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd"
name="MERLIN" valid-from ="2014-02-10 00:00:01"
- valid-to ="2100-01-31 23:59:59"
- last-modified="2015-03-01 12:00:05">
+ valid-to ="2017-09-12 11:00:00"
+ last-modified="2017-09-11 14:00:05">
<defaults>
<length unit="meter"/>
diff --git a/instrument/MERLIN_Parameters_2017_02.xml b/instrument/MERLIN_Parameters_2017_02.xml
new file mode 100644
index 0000000000000000000000000000000000000000..0168a3bc98ae763e3fe9e196c722ecae26b4747d
--- /dev/null
+++ b/instrument/MERLIN_Parameters_2017_02.xml
@@ -0,0 +1,478 @@
+<?xml version="1.0" encoding="UTF-8" ?>
+<parameter-file instrument = "MERLIN" valid-from = "2017-09-12T11:00:01">
+
+<component-link name = "MERLIN">
+
+<!-- files properties : -->
+
+<!-- Specify that the detector positions should be taken from the data file (Not used ) -->
+<parameter name="det-pos-source" type="string">
+ <value val="datafile"/>
+</parameter>
+<!-- The file which defines proper (calibrated) detector positions
+ if None - it is undefined -->
+<parameter name="det_cal_file" type="string">
+ <value val="det_corr_172.dat"/>
+ <description is = "The file which defines proper (calibrated) detector positions.
+ If property set to None - this file is undefined."/>
+</parameter>
+<!-- The file which defines detectors to spectra mapping; File extension has to be specified here but filepath not
+ if None - one2one map is used -->
+<parameter name="map_file" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- Preferred extension of the data files obtained from DAE, e.g. what to prefer if two
+ files with the same name and different extension are found
+ -->
+<parameter name="data_file_ext" type="string">
+ <value val=".nxs"/>
+</parameter>
+<!-- The name of the hard mask file to use together with diag masking 4to1_124mod.msk-->
+<parameter name="hard_mask_file" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- The map file used when calculating absolute units conversion integrals
+ This map usually groups together large areas of detectors to obtain proper vanadium statistics -->
+<parameter name="monovan_mapfile" type="string">
+ <value val="mono_van_map.map"/>
+</parameter>
+
+
+
+
+<!-- RunNumber to use for diag instead of the input run number if none - use input run
+ if yes, will probably change from command line-->
+<parameter name="mask_run" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- Energy conversion mode direct/indirect/elastic (the one the reducer understands) -->
+<parameter name="deltaE-mode" type="string">
+ <value val="direct"/>
+</parameter>
+
+<!-- normalise_method normalization. To compare different runs with different length one uses normalization by some flux-dependent parameter
+ Available values are: none (-largely meaningless), monitor-1,monitor-2, current
+ the acceptable values are defined in DirectEnergyConversion initialization routine as recognized by direct energy conversion normalize method
+ these three are currently disabled/unknown: uamph peak-->
+<parameter name="normalise_method" type="string">
+ <value val="monitor-1"/>
+</parameter>
+
+<!-- Monitor used to estimate total current on the sample while normalizing by monitor 1. -->
+<parameter name="norm-mon1-spec" >
+ <value val="71681"/>
+</parameter>
+
+<!-- Time interval used for integration to estimate current on the sample
+ This interval is usually taken around the monitor peak-->
+<parameter name="norm-mon1-min">
+ <value val="1000"/>
+</parameter>
+<parameter name="norm-mon1-max">
+ <value val="2000"/>
+</parameter>
+<parameter name="norm_mon_integration_range" type="string">
+ <value val="norm-mon1-min:norm-mon1-max"/>
+</parameter>
+
+<!-- Monitor after chopper used to estimate total current on the sample, if normalization is done on monitor 2 -->
+<parameter name="norm-mon2-spec" type="int">
+ <value val="71682"/>
+</parameter>
+<!-- Relative energy range (wrt. to the incident energy) in which monitor 2 signal is present and the integration to
+ calculate monitor-2 current occurs -->
+<parameter name="mon2_norm_energy_range" type = "string">
+ <value val="0.8,1.2"/>
+</parameter>
+
+<!-- Usually one wants to avoid loading monitors together with data except in special cases. One of this cases is
+ MARI which monitors numbers are in the beginning of the spectra. If one loads them separately,
+ spectra numbers change and ISIS hard masks (msk) prepared for workspace with monitors become invalid.
+ This parameter is actual until Mantid Masking change.
+ -->
+<parameter name="load_monitors_with_workspace" type="bool">
+<value val="False"/>
+</parameter>
+
+<!-- -->
+<parameter name="ei-mon1-spec" type="string">
+ <value val="71682,71683,71684,71685"/>
+ <description is="First spectra number (monitor's spectra number) to use when measuring incident energy,
+ or comma separated list of such numbers.
+ Should be spectra with well defined energy peak or monitor's spectra.
+ If list of numbers is provided, the final spectrum is the sum of the spectra with the numbers provided.
+ It is important to have the detectors for these spectra to be located at the same distance from the source,
+ as the position of the combined detector will be defined by the position of the first spectra's detector."/>
+</parameter>
+<!-- -->
+<parameter name="ei-mon2-spec" type="string">
+ <value val="71686,71687,71688,71689"/>
+ <description is="Second spectra number (monitor's spectra number) to use when measuring incident energy,
+ or comma separated list of such numbers.
+ Should be spectra with well defined energy peak or monitor's spectra.
+ If list of numbers is provided, the final spectrum is the sum of the spectra with the numbers provided.
+ It is important to have the detectors for these spectra to be located at the same distance from the source,
+ as the position of the combined detector will be defined by the position of the first spectra's detector."/>
+</parameter>
+<!-- -->
+<parameter name="ei_mon_spectra" type="string">
+ <value val="ei-mon1-spec:ei-mon2-spec"/>
+ <description is="List of spectra, used to calculate incident energy of beam in inelastic experiments by GetEi algorithm.
+ It is complex property, dependent on two other properties, namely ei-mon1-spec and ei-mon2-spec, which define spectrum or
+ spectra lists for each of two monitors, used in GetEi calculations"/>
+</parameter>
+<!-- -->
+<parameter name="spectra_to_monitors_list" type="string">
+ <value val="None"/>
+ <description is="If you use some detectors as monitors and work in event mode,
+ one needs to specify the comma separated list of these detectors as the value of this property
+ to copy detectors spectra to monitors spectra collected in histogram mode.
+ If no such monitors are used, None (or text string 'None' in IDF) has to be specified as the value.
+ This is also necessary in Histogram mode if you want to use some detectors as monitors and
+ load_monitors_with_workspace is set to False necessary if monitors are measured with different time channels"/>
+</parameter>
+
+<!-- -->
+<parameter name="multirep_tof_specta_list" type="string">
+ <value val="20860,20480"/>
+ <description is="List of two spectra corresponding to the detectors which are closest and furthest from the sample.
+ These detectors locations are used to identify TOF range, contributing into each energy range
+ in multirep mode"/>
+</parameter>
+
+
+<!-- by default getEi looks for peaks within (1+-0.1)*TOF_GUES range where TOF_GUES is evaluated on the basis of ei guess.
+ If the peaks are very narrow, or there are a lot of them very close to each other,
+ this value can be reduced. For example, such situation happens on MARI for very high incident energies Ei=1800.
+ -->
+<parameter name="ei_mon_peak_search_range">
+ <value val="0.1"/>
+</parameter>
+
+
+<parameter name="scale-factor">
+ <value val="1.7016e8"/>
+</parameter>
+
+<parameter name="wb-scale-factor">
+ <value val="1000"/>
+</parameter>
+
+<!-- Remove the count rate seen in the regions of the histograms defined as the background regions -->
+<parameter name="check_background" type="bool">
+ <value val="False"/>
+ <description is="If True, remove the count rate seen in the regions of the
+ histograms defined as the background regions.
+ The background region is defined by background_range property."/>
+</parameter>
+<parameter name="nullify_negative_signal" type="bool">
+ <value val="True"/>
+ <description is="If True and background removed, nullify the negative signal, which
+ may occur at some detectors at some moments of time due to flat background removal and modify errors accordingly.
+ If False, leave signals and errors unchanged. "/>
+</parameter>
+
+
+<!-- detector_van_range- integration in E(mev) for detector(white beam) vanadium data [20,100] -->
+<parameter name="wb-integr-min">
+ <value val="20"/>
+</parameter>
+<parameter name="wb-integr-max">
+ <value val="55"/>
+</parameter>
+<parameter name="wb_integr_range" type="string">
+ <value val="wb-integr-min:wb-integr-max"/>
+</parameter>
+
+
+<!-- integration range for background tests (in TOF) - composite property
+ Used in test to reject high background (FlatBackground) and in High Background tests integration in Diagnostics
+ if diag_background_test_range is not set -->
+<parameter name="bkgd-range-min">
+ <value val="12000"/>
+</parameter>
+<parameter name="bkgd-range-max">
+ <value val="18000"/>
+</parameter>
+<parameter name="background_range" type="string">
+ <value val="bkgd-range-min:bkgd-range-max"/>
+</parameter>
+
+<!-- ******************************** DIAGNOSTICS DEFAILTS **************************************** -->
+
+<!-- Perform diag by bank. These are the spectrum numbers -->
+<parameter name="diag_spectra" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- Absolute lo threshold for vanadium diag (tiny) -->
+<parameter name="diag_tiny">
+ <value val="1e-10"/>
+</parameter>
+
+<!-- Absolute hi threshold for vanadium diag (large) -->
+<parameter name="diag_huge">
+ <value val="1e10"/>
+</parameter>
+
+<!-- Setting diag to reject zero backgrounds; If true then zeroes in (vanadium) data are masked as fail -->
+<parameter name="diag_samp_zero" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- Fraction of median to consider counting low for the white beam diag (diag_van_median_rate_limit_hi sv_lo)-->
+<parameter name="diag_samp_lo">
+ <value val="0.0"/>
+</parameter>
+<!-- Fraction of median to consider counting high for the white beam diag (sv_hi)-->
+<parameter name="diag_samp_hi">
+ <value val="1.5"/>
+</parameter>
+
+<!-- Error criterion as a multiple of error bar for background (sv_sig)
+ i.e. to fail the test, the magnitude of the
+ difference with respect to the median value must also exceed this number of error bars (default=3.3)
+-->
+<parameter name="diag_samp_sig">
+ <value val="3.3"/>
+</parameter>
+
+<!-- Lower bound defining outliers as fraction of median value (v_out_lo)-->
+<parameter name="diag_van_out_lo">
+ <value val="0.01"/>
+</parameter>
+
+<!-- Upper bound defining outliers as fraction of median value (v_out_hi) -->
+<parameter name="diag_van_out_hi">
+ <value val="100."/>
+</parameter>
+
+<!-- Fraction of median to consider counting low for the white beam diag (vv_lo) vanlo=0.1 -->
+<parameter name="diag_van_lo">
+ <value val="0.1"/>
+</parameter>
+
+<!-- Fraction of median to consider counting high for the white beam diag (vv_hi) vanhi=1.5 -->
+<parameter name="diag_van_hi">
+ <value val="1.5"/>
+</parameter>
+
+<!-- Error criterion as a multiple of error bar van_sig "
+ i.e. to fail the test, the magnitude of the difference with respect to the median value must also exceed this number of error bars (default=0.0)
+-->
+<parameter name="diag_van_sig">
+ <value val="0.0"/>
+</parameter>
+
+<!-- Variation for ratio test with second white beam -->
+<parameter name="diag_variation">
+ <value val="1.1"/>
+</parameter>
+<!-- The range used in diagnostics and rejecting high background.
+ If none, the diag background range uses background ranges from background_range. Has to be directly set otherwise -->
+<parameter name="diag_background_test_range" type="string" >
+ <value val="None"/>
+</parameter>
+
+<!-- -->
+<!-- Bleeding corrections -->
+
+<!-- the number of pixels ignored within the bleed test diagnostic -->
+<parameter name="bleed_pixels">
+ <value val="80"/>
+</parameter>
+<!-- the maximum framerate allowed in a tube -->
+<parameter name="bleed_maxrate">
+ <value val="0.01"/>
+</parameter>
+<!-- True if the bleed tests should be run use_bleeding-->
+<parameter name="diag_bleed_test" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- **************************************** DIAGNOSTICS DEFAILTS END **************************************** -->
+
+
+<!-- **************************************** ABSOLUTE UNITS CORRECTION DEFAULTS ******************************** -->
+<!-- Absolute units conversion average -->
+<parameter name="monovan_lo_bound">
+ <value val="0.01"/>
+</parameter>
+
+<parameter name="monovan_hi_bound">
+ <value val="100"/>
+</parameter>
+
+<!-- This property is the part of the composite definition for abs_units_van_range:
+ It specifies the relative to incident energy lower integration limit for monochromatic vanadium in the mono-vanadium integration -->
+<parameter name="monovan_lo_frac">
+ <value val="-0.6"/>
+</parameter>
+
+<!-- This property is the part of the composite definition for abs_units_van_range:
+ It specifies the the lower limit of energy range in the monochromatic-vanadium integration
+ Used only if abs_units_van_range is set to val="monovan_lo_value,monovan_hi_value"-->
+<parameter name="monovan_lo_value">
+ <value val="-40."/>
+</parameter>
+
+<!-- This property is the part of the composite definition for abs_units_van_range
+ It specifies the relative to incident energy higher integration limit for monochromatic vanadium in the mono-vanadium integration -->
+<parameter name="monovan_hi_frac">
+ <value val="0.6"/>
+</parameter>
+<!-- This property is the part of the composite definition for abs_units_van_range
+ It specifies the the higher limit of energy range in the monochromatic-vanadium integration
+ Used only if abs_units_van_range is set to val="monovan_lo_value,monovan_hi_value"-->
+<parameter name="monovan_hi_value">
+ <value val="40."/>
+</parameter>
+
+<!-- energy range for integration calculating absolute units correction vanadium data.
+ if None, range is calculated from monovan_hi_frac/monovan_lo_frac
+ - providing the fractions of the incident energy
+ if one wants to specify the energy values here it has to be defined in the form:
+ <value val="monovan_lo_value,monovan_hi_value"/> -->
+<parameter name="abs_units_van_range" type="string">
+ <value val="None"/>
+</parameter>
+<!-- Sample mass used in absolute units normalization and should usually be changed by user-->
+<parameter name="sample_mass">
+ <value val="1"/>
+</parameter>
+<!-- Sample rmm used in absolute units normalization should usually be changed by user -->
+<parameter name="sample_rmm">
+ <value val="1"/>
+</parameter>
+<!-- Vanaduim mass used in absolute units normalization and is usually instrument specific (changes rarely) -->
+<parameter name="vanadium-mass">
+ <value val="7.85"/>
+</parameter>
+<!-- if this value set to true, modo-vanadium run is not analysed and masks obtained for arbitrary units are used for mono-vanadium -->
+<parameter name="use_sam_msk_on_monovan" type = "bool">
+ <value val="False"/>
+</parameter>
+
+<!-- if this value is provided (not None) it is string representation of the number used instead of calculating mono-vanadium based normalization factor
+ one does not need to provide mono-vanadium run if this value is provided as it will be used instead
+ -->
+<parameter name="mono_correction_factor" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- **************************************** ABSOLUTE UNITS CORRECTION DEFAULTS END **************************** -->
+
+<!-- if defined to true, fix incident energy to this value and do not calculate the energy from the run -->
+<parameter name="fixei" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- **************************************** Workflow control **************************** -->
+
+<!-- This parameter controls the format of output data written by reducer.
+ Three values are currently supported, namely .spe, .nxspe, and nexus (Mantid workspace) (.nxs)
+ Three possible values for this are defined in DirectEnergyConversion init routine as recognized by save method
+ If None is there, no internal script saving occurs and one needs to use external save operations -->
+<parameter name="save_format" type="string">
+ <value val="None"/>
+</parameter>
+
+<!-- If one wants to sum runs. By default no, as in addition to the key word one has to provide list of input run-numbers
+ but presence of this key here allows to propagate this key-word to the reducer -->
+<parameter name="sum_runs" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- # Run Detector Efficiency Correction -->
+<parameter name="apply_detector_eff" type="bool">
+ <value val="True"/>
+</parameter>
+<!-- # Multiply result by ki/kf value -->
+<parameter name="apply_kikf_correction" type="bool">
+ <value val="True"/>
+</parameter>
+
+<!-- The if true, use only hard mask file specified above and do not run diagnostics procedures -->
+<parameter name="use_hard_mask_only" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- Parameter specifies if one wants to run diagnostics (which include applying hard mask file) or not-->
+<parameter name="run_diagnostics" type="bool">
+ <value val="True"/>
+</parameter>
+
+
+<!-- If this parameter is set to true, dgreduce will try to load mask from the mask file
+ correspondent to the run if finds it and uses this mask as hard mask only (does not run diagnostics).
+ If such file has not been found, it will run diagnostics and save the masks into mask file for reuse
+ Hard Mask file, provided separately or as additional hard mask file is ignored in this case -->
+<parameter name="save_and_reuse_masks" type="bool">
+ <value val="False"/>
+</parameter>
+
+<!-- The semicolon separated list of possible log names, containing information on crystal rotation.
+ First found log will be used together with motor_offset to identify crystal rotation
+ (psi in Horace) -->
+<parameter name="motor_log_names" type="string">
+ <value val="CCR_ROT;wccr"/>
+</parameter>
+<!-- Initial value used to identify crystal rotation angle psi=motor_offset+wccr.timeAverageValue() -->
+<parameter name="motor_offset">
+ <value val="None"/>
+</parameter>
+
+
+<!-- List of the words which can be used as a command line arguments to define reducer keywords
+ the form is reducer_keword1=synonim1=synonim2=synonim3;reducer_keword1=synonim1a, so,
+ the reducer keywords are the leftmost values of the keyword assignments below
+ Each keyword met in command line or file above are converted into reducer keyword as below
+-->
+<parameter name="synonims" type="string">
+ <value val="normalise_method=norm_method;
+ fix_ei=fixei;
+ sum_runs=sum;
+ wb_integr_range=detector_van_range;
+ motor_log_names = motor_name;
+ van_mass=vanadium-mass;
+ check_background = background;
+
+ mon1_norm_spec=norm-mon1-spec;
+ mon2_norm_spec=norm-mon2-spec;
+ scale_factor=scale-factor;
+ wb_scale_factor=wb-scale-factor;
+ monovan_integr_range=abs_units_van_range;
+ monovan_lo_value = monovan-integr-min;
+ monovan_hi_value = monovan-integr-max;
+ bkgd_range = background_range;
+ background_test_range = diag_background_test_range;
+ hard_mask_file=hard_mask;
+ van_out_lo = diag_van_median_rate_limit_lo=diag_van_out_lo;
+ van_out_hi = diag_van_median_rate_limit_hi=diag_van_out_hi;
+ van_lo = diag_van_median_sigma_lo=diag_van_lo;
+ van_hi = diag_van_median_sigma_hi=diag_van_hi;
+ van_sig = diag_van_median_sigma=diag_van_sig;
+ tiny = diag_tiny;
+ huge = diag_huge=large;
+ samp_zero = diag_remove_zero=diag_samp_zero;
+ samp_lo = diag_samp_median_sigma_lo=diag_samp_lo;
+ samp_hi = diag_samp_median_sigma_hi=diag_samp_hi;
+ samp_sig = diag_samp_median_sigma=diag_samp_sig;
+ variation = diag_variation;
+ bleed_test = bleed = diag_bleed_test;
+ bleed_maxrate= diag_bleed_maxrate;
+ bleed_pixels = diag_bleed_pixels;
+ deltaE_mode = deltaE-mode;
+ ei-mon1-spec=ei_mon1_spec;
+ ei-mon2-spec = test_ei2_mon_spectra=ei_mon2_spec;
+ ei_mon_spectra=test_mon_spectra_composite"
+ />
+</parameter>
+
+ <!-- -->
+</component-link>
+
+</parameter-file>
diff --git a/instrument/masks/IN5_Mask.xml b/instrument/masks/IN5_Mask.xml
index 3e369afee704e8405d1e683a2916aa053d4f523a..8975f7c29cacb352b40cc56e68ddacac80a6949d 100644
--- a/instrument/masks/IN5_Mask.xml
+++ b/instrument/masks/IN5_Mask.xml
@@ -1,7 +1,6 @@
<?xml version="1.0"?>
<detector-masking>
<group>
- 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diff --git a/instrument/masks/IN5_Mask_bs_top_bottom.xml b/instrument/masks/IN5_Mask_bs_top_bottom.xml
deleted file mode 100644
index 3b412c3e304d04dc807148fbb572ddad08d2579c..0000000000000000000000000000000000000000
--- a/instrument/masks/IN5_Mask_bs_top_bottom.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-<?xml version="1.0"?>
-<detector-masking>
- <group>
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- </detids>
- </group>
-
-</detector-masking>
diff --git a/instrument/masks/IN5_Mask_bs_top_bottom_lastPannel.xml b/instrument/masks/IN5_Mask_bs_top_bottom_lastPannel.xml
deleted file mode 100644
index 3725b3376d802ccdb2a13f70b9bbd7221d8012c3..0000000000000000000000000000000000000000
--- a/instrument/masks/IN5_Mask_bs_top_bottom_lastPannel.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-<?xml version="1.0"?>
-<detector-masking>
- <group>
- 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- </detids>
- </group>
-
-</detector-masking>
diff --git a/instrument/masks/IN5_Mask_bs_top_bottom_positive_panels.xml b/instrument/masks/IN5_Mask_bs_top_bottom_positive_panels.xml
deleted file mode 100644
index 0df020e71023ca8ab22f97abbc667fb290062422..0000000000000000000000000000000000000000
--- a/instrument/masks/IN5_Mask_bs_top_bottom_positive_panels.xml
+++ /dev/null
@@ -1,8 +0,0 @@
-<?xml version="1.0"?>
-<detector-masking>
- <group>
- 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055,92056,92057,92058,92059,92060,92061,92062,92063,92064,92065,92066,92067,92068,92069,92070,92071,92154,92155,92156,92157,92158,92159,92160,92161,92162,92163,92164,92165,92166,92167,92168,92253,92254,92255,92256,92257,92258,92259,92260,92261,92262,92263,92264,92265,92266,92267,92268,92269,92270,92271,92272,92273,92274,92275,92276,92277,92278,92279,92280,92281,92282,92283,92284,92285,92286,92287,92288,92289,92290,92291,92292,92293,92294,92295,92296,92297,92298,92299,92300,92301,92302,92303,92304,92305,92306,92307,92308,92309,92310,92311,92312,92313,92314,92315,92316,92317,92318,92319,92320,92321,92322,92323,92324,92410,92411,92412,92413,92414,92415,92416,92417,92418,92419,92420,92421,92422,92423,92424,92512,92513,92514,92515,92516,92517,92518,92519,92520,92521,92522,92523,92524,92525,92526,92527,92528,92529,92530,92531,92532,92533,92534,92535,92536,92537,92538,92539,92540,92541,92542,92543,92544,92545,92546,92547,92548,92549,92550,92551,92552,92553,92554,92555,92556,92557,92558,92559,92560,92561,92562,92563,92564,92565,92566,92567,92568,92569,92570,92571,92572,92573,92574,92575,92576,92577,92578,92666,92667,92668,92669,92670,92671,92672,92673,92674,92675,92676,92677,92678,92679,92680,92771,92772,92773,92774,92775,92776,92777,92778,92779,92780,92781,92782,92783,92784,92785,92786,92787,92788,92789,92790,92791,92792,92793,92794,92795,92796,92797,92798,92799,92800,92801,92802,92803,92804,92805,92806,92807,92808,92809,92810,92811,92812,92813,92814,92815,92816,92817,92818,92819,92820,92821,92822,92823,92824,92825,92826,92827,92828,92829,92830,92922,92923,92924,92925,92926,92927,92928,92929,92930,92931,92932,92933,92934,92935,92936,93029,93030,93031,93032,93033,93034,93035,93036,93037,93038,93039,93040,93041,93042,93043,93044,93045,93046,93047,93048,93049,93050,93051,93052,93053,93054,93055,93056,93057,93058,93059,93060,93061,93062,93063,93064,93065,93066,93067,93068,93069,93070,93071,93072,93073,93074,93075,93076,93077,93078,93079,93080,93081,93178,93179,93180,93181,93182,93183,93184,93185,93186,93187,93188,93189,93190,93191,93192,93289,93290,93291,93292,93293,93294,93295,93296,93297,93298,93299,93300,93301,93302,93303,93304,93305,93306,93307,93308,93309,93310,93311,93312,93313,93314,93315,93316,93317,93318,93319,93320,93321,93322,93323,93324,93325,93326,93327,93328,93329,93330,93331,93332,93333,93334,93335,93434,93435,93436,93437,93438,93439,93440,93441,93442,93443,93444,93445,93446,93447,93448,93547,93548,93549,93550,93551,93552,93553,93554,93555,93556,93557,93558,93559,93560,93561,93562,93563,93564,93565,93566,93567,93568,93569,93570,93571,93572,93573,93574,93575,93576,93577,93578,93579,93580,93581,93582,93583,93584,93585,93586,93587,93588,93690,93691,93692,93693,93694,93695,93696,93697,93698,93699,93700,93701,93702,93703,93704,93808,93809,93810,93811,93812,93813,93814,93815,93816,93817,93818,93819,93820,93821,93822,93823,93824,93825,93826,93827,93828,93829,93830,93831,93832,93833,93834,93835,93836,93837,93838,93839,93840,93841,93946,93947,93948,93949,93950,93951,93952,93953,93954,93955,93956,93957,93958,93959,93960,94067,94068,94069,94070,94071,94072,94073,94074,94075,94076,94077,94078,94079,94080,94081,94082,94083,94084,94085,94086,94087,94088,94089,94090,94091,94092,94093,94094,94202,94203,94204,94205,94206,94207,94208,94209,94210,94211,94212,94213,94214,94215,94216,94325,94326,94327,94328,94329,94330,94331,94332,94333,94334,94335,94336,94337,94338,94339,94340,94341,94342,94343,94344,94345,94346,94458,94459,94460,94461,94462,94463,94464,94465,94466,94467,94468,94469,94470,94471,94472,94584,94585,94586,94587,94588,94589,94590,94591,94592,94593,94594,94595,94596,94597,94598,94599,94600,94714,94715,94716,94717,94718,94719,94720,94721,94722,94723,94724,94725,94726,94727,94728,94845,94846,94847,94848,94849,94850,94851,94852,94853,94970,94971,94972,94973,94974,94975,94976,94977,94978,94979,94980,94981,94982,94983,94984,95226,95227,95228,95229,95230,95231,95232,95233,95234,95235,95236,95237,95238,95239,95240,95482,95483,95484,95485,95486,95487,95488,95489,95490,95491,95492,95493,95494,95495,95496,95738,95739,95740,95741,95742,95743,95744,95745,95746,95747,95748,95749,95750,95751,95752,95994,95995,95996,95997,95998,95999,96000,96001,96002,96003,96004,96005,96006,96007,96008,96250,96251,96252,96253,96254,96255,96256,96257,96258,96259,96260,96261,96262,96263,96264,96506,96507,96508,96509,96510,96511,96512,96513,96514,96515,96516,96517,96518,96519,96520,96762,96763,96764,96765,96766,96767,96768,96769,96770,96771,96772,96773,96774,96775,96776,97018,97019,97020,97021,97022,97023,97024,97025,97026,97027,97028,97029,97030,97031,97032,97274,97275,97276,97277,97278,97279,97280,97281,97282,97283,97284,97285,97286,97287,97288,97530,97531,97532,97533,97534,97535,97536,97537,97538,97539,97540,97541,97542,97543,97544,97786,97787,97788,97789,97790,97791,97792,97793,97794,97795,97796,97797,97798,97799,97800,98042,98043,98044,98045,98046,98047,98048,98049,98050,98051,98052,98053,98054,98055,98056,98298,98299,98300,98301,98302,98303,98304
- </detids>
- </group>
-
-</detector-masking>
diff --git a/qt/paraview_ext/PVPlugins/Representations/AlignedThreeSliceFilter.cxx b/qt/paraview_ext/PVPlugins/Representations/AlignedThreeSliceFilter.cxx
index 703d923eb41335d1a6186c91f2352388cdbf7182..ef1b8714bffbed5105fe993e3aca4b218a501481 100644
--- a/qt/paraview_ext/PVPlugins/Representations/AlignedThreeSliceFilter.cxx
+++ b/qt/paraview_ext/PVPlugins/Representations/AlignedThreeSliceFilter.cxx
@@ -18,7 +18,7 @@
#include "vtkAppendPolyData.h"
#include "vtkPlane.h"
-#include <math.h>
+#include <cmath>
vtkStandardNewMacro(AlignedThreeSliceFilter);
diff --git a/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.cxx b/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.cxx
index 5edce31a5ca28f8bd51dd5e665328918a6ae98b2..f7230cb6108e7c2ed40086ca3adf9b895b1c9ec6 100644
--- a/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.cxx
+++ b/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.cxx
@@ -85,7 +85,7 @@ public:
return true;
}
static bool ExtractCachedBounds(vtkDataObject *dataObject, double bounds[6]) {
- if (dataObject == NULL || dataObject->GetFieldData() == NULL) {
+ if (dataObject == nullptr || dataObject->GetFieldData() == nullptr) {
return false;
}
vtkFieldData *fd = dataObject->GetFieldData();
@@ -108,9 +108,8 @@ public:
static vtkGSRGeometryFilter *New();
vtkTypeMacro(vtkGSRGeometryFilter, vtkPVGeometryFilter);
- virtual int RequestData(vtkInformation *req,
- vtkInformationVector **inputVector,
- vtkInformationVector *outputVector) VTK_OVERRIDE {
+ int RequestData(vtkInformation *req, vtkInformationVector **inputVector,
+ vtkInformationVector *outputVector) VTK_OVERRIDE {
vtkSmartPointer<vtkDataObject> inputDO =
vtkDataObject::GetData(inputVector[0]);
vtkSmartPointer<vtkMatrix4x4> changeOfBasisMatrix =
@@ -165,7 +164,7 @@ public:
protected:
vtkGSRGeometryFilter() {}
- virtual ~vtkGSRGeometryFilter() {}
+ ~vtkGSRGeometryFilter() override {}
private:
vtkGSRGeometryFilter(const vtkGSRGeometryFilter &);
@@ -214,7 +213,7 @@ void vtkAlignedGeometrySliceRepresentation::SetupDefaults() {
this->Internals->OutlineSource->GetOutputPort());
this->Internals->OutlineActor->SetMapper(
this->Internals->OutlineMapper.GetPointer());
- this->Internals->OutlineActor->SetUseBounds(0);
+ this->Internals->OutlineActor->SetUseBounds(false);
this->Internals->OutlineActor->SetVisibility(0);
}
diff --git a/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.h b/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.h
index 1e24e767c3bd85c30b843c992bfb12c348d4e559..9bfad8b3434ab0b91ab862237de9435cfb4765f2 100644
--- a/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.h
+++ b/qt/paraview_ext/PVPlugins/Representations/vtkAlignedGeometrySliceRepresentation.h
@@ -35,9 +35,9 @@ public:
vtkGeometryRepresentation);
void PrintSelf(ostream &os, vtkIndent indent) VTK_OVERRIDE;
- virtual int ProcessViewRequest(vtkInformationRequestKey *request_type,
- vtkInformation *inInfo,
- vtkInformation *outInfo) VTK_OVERRIDE;
+ int ProcessViewRequest(vtkInformationRequestKey *request_type,
+ vtkInformation *inInfo,
+ vtkInformation *outInfo) VTK_OVERRIDE;
enum { X_SLICE_ONLY, Y_SLICE_ONLY, Z_SLICE_ONLY, ALL_SLICES };
vtkSetClampMacro(Mode, int, X_SLICE_ONLY, ALL_SLICES);
@@ -53,15 +53,14 @@ public:
protected:
vtkAlignedGeometrySliceRepresentation();
- ~vtkAlignedGeometrySliceRepresentation();
+ ~vtkAlignedGeometrySliceRepresentation() override;
- virtual void SetupDefaults() VTK_OVERRIDE;
- virtual int RequestData(vtkInformation *request,
- vtkInformationVector **inputVector,
- vtkInformationVector *outputVector) VTK_OVERRIDE;
+ void SetupDefaults() VTK_OVERRIDE;
+ int RequestData(vtkInformation *request, vtkInformationVector **inputVector,
+ vtkInformationVector *outputVector) VTK_OVERRIDE;
- virtual bool AddToView(vtkView *view) VTK_OVERRIDE;
- virtual bool RemoveFromView(vtkView *view) VTK_OVERRIDE;
+ bool AddToView(vtkView *view) VTK_OVERRIDE;
+ bool RemoveFromView(vtkView *view) VTK_OVERRIDE;
private:
vtkAlignedGeometrySliceRepresentation(
diff --git a/qt/paraview_ext/VatesAPI/src/EventNexusLoadingPresenter.cpp b/qt/paraview_ext/VatesAPI/src/EventNexusLoadingPresenter.cpp
index 72f9f932108be9198b967126a34b4757b1d3aa21..301e885bcd6d0fed8a3ddfa8f77a8a91eb3ccf92 100644
--- a/qt/paraview_ext/VatesAPI/src/EventNexusLoadingPresenter.cpp
+++ b/qt/paraview_ext/VatesAPI/src/EventNexusLoadingPresenter.cpp
@@ -44,7 +44,7 @@ EventNexusLoadingPresenter::EventNexusLoadingPresenter(
*/
bool EventNexusLoadingPresenter::canReadFile() const {
if (!canLoadFileBasedOnExtension(m_filename, ".nxs")) {
- return 0;
+ return false;
}
std::unique_ptr<NeXus::File> file;
@@ -55,7 +55,7 @@ bool EventNexusLoadingPresenter::canReadFile() const {
file->openGroup("entry", "NXentry");
} catch (::NeXus::Exception &) {
file->close();
- return 0;
+ return false;
}
// But only eventNexus files have bank123_events as a group name
std::map<std::string, std::string> entries = file->getEntries();
@@ -74,7 +74,7 @@ bool EventNexusLoadingPresenter::canReadFile() const {
if (file)
file->close();
}
- return 0;
+ return false;
}
/*
diff --git a/qt/paraview_ext/VatesAPI/src/MDEWEventNexusLoadingPresenter.cpp b/qt/paraview_ext/VatesAPI/src/MDEWEventNexusLoadingPresenter.cpp
index 81cc8b7afd0a2764e51dec715f01108be679c5ea..02d1db6ebf552f3778e264aca8b201e7429a107d 100644
--- a/qt/paraview_ext/VatesAPI/src/MDEWEventNexusLoadingPresenter.cpp
+++ b/qt/paraview_ext/VatesAPI/src/MDEWEventNexusLoadingPresenter.cpp
@@ -43,19 +43,19 @@ is attempted to be loaded.
bool MDEWEventNexusLoadingPresenter::canReadFile() const {
// Quick check based on extension.
if (!canLoadFileBasedOnExtension(m_filename, ".nxs")) {
- return 0;
+ return false;
}
auto file = Kernel::make_unique<::NeXus::File>(this->m_filename);
// MDEventWorkspace file has a different name for the entry
try {
file->openGroup("MDEventWorkspace", "NXentry");
- return 1;
+ return true;
} catch (::NeXus::Exception &) {
// If the entry name does not match, then it can't read the file.
- return 0;
+ return false;
}
- return 0;
+ return false;
}
/*
diff --git a/qt/paraview_ext/VatesAPI/src/MDHWNexusLoadingPresenter.cpp b/qt/paraview_ext/VatesAPI/src/MDHWNexusLoadingPresenter.cpp
index e8654c3c990a163327961a2d90c1ba6170b48bfa..92eaa9ad25f37c84016930f9d38dceac933a4f5e 100644
--- a/qt/paraview_ext/VatesAPI/src/MDHWNexusLoadingPresenter.cpp
+++ b/qt/paraview_ext/VatesAPI/src/MDHWNexusLoadingPresenter.cpp
@@ -43,18 +43,18 @@ MDHWNexusLoadingPresenter::MDHWNexusLoadingPresenter(
bool MDHWNexusLoadingPresenter::canReadFile() const {
// Quick check based on extension.
if (!canLoadFileBasedOnExtension(m_filename, ".nxs")) {
- return 0;
+ return false;
}
auto file = Kernel::make_unique<::NeXus::File>(this->m_filename);
// MDHistoWorkspace file has a different name for the entry
try {
file->openGroup("MDHistoWorkspace", "NXentry");
- return 1;
+ return true;
} catch (::NeXus::Exception &) {
// If the entry name does not match, then it can't read the file.
- return 0;
+ return false;
}
- return 0;
+ return false;
}
/**
diff --git a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/pqCameraToolbarNonOrthogonalAxes.ui b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/pqCameraToolbarNonOrthogonalAxes.ui
index 47b7da8e99a439e29e7d02800b7fbabbd553ab7e..caebcfff948f4be1869707e1eaa0891502e3d932 100644
--- a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/pqCameraToolbarNonOrthogonalAxes.ui
+++ b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/pqCameraToolbarNonOrthogonalAxes.ui
@@ -21,8 +21,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqResetCamera.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqResetCamera.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqResetCamera.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqResetCamera.png</iconset>
</property>
<property name="text">
<string>&Reset</string>
@@ -39,8 +39,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqXPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqXPlus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqXPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqXPlus.png</iconset>
</property>
<property name="text">
<string>+U</string>
@@ -60,8 +60,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqXMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqXMinus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqXMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqXMinus.png</iconset>
</property>
<property name="text">
<string>-U</string>
@@ -81,8 +81,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqYPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqYPlus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqYPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqYPlus.png</iconset>
</property>
<property name="text">
<string>+V</string>
@@ -102,8 +102,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqYMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqYMinus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqYMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqYMinus.png</iconset>
</property>
<property name="text">
<string>-V</string>
@@ -123,8 +123,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZPlus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZPlus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZPlus.png</iconset>
</property>
<property name="text">
<string>+W</string>
@@ -144,8 +144,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZMinus.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZMinus.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZMinus.png</iconset>
</property>
<property name="text">
<string>-W</string>
@@ -165,8 +165,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqRotateCameraCW.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqRotateCameraCW.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqRotateCameraCW.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqRotateCameraCW.png</iconset>
</property>
<property name="text">
<string/>
@@ -186,8 +186,8 @@
<bool>false</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqRotateCameraCCW.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqRotateCameraCCW.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqRotateCameraCCW.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqRotateCameraCCW.png</iconset>
</property>
<property name="text">
<string/>
@@ -207,8 +207,8 @@
<bool>true</bool>
</property>
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZoomToSelection.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZoomToSelection.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZoomToSelection.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZoomToSelection.png</iconset>
</property>
<property name="text">
<string>Zoom to Box</string>
@@ -219,8 +219,8 @@
</action>
<action name="actionZoomToData">
<property name="icon">
- <iconset resource="../../icons/ViewWidgetsIcons.qrc">
- <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZoomToData.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqWidgets/Icons/pqZoomToData.png</iconset>
+ <iconset resource="../../../../../resources/icons/ViewWidgetsIcons.qrc">
+ <normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZoomToData.png</normaloff>:/VatesSimpleGuiViewWidgets/icons/pqZoomToData.png</iconset>
</property>
<property name="text">
<string>ZTD</string>
@@ -242,7 +242,7 @@
<addaction name="actionRotate90degCCW"/>
</widget>
<resources>
- <include location="../../icons/ViewWidgetsIcons.qrc"/>
+ <include location="../../../../../resources/icons/ViewWidgetsIcons.qrc"/>
</resources>
<connections/>
</ui>
diff --git a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraReactionNonOrthogonalAxes.cpp b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraReactionNonOrthogonalAxes.cpp
index 75b67ee37970f2714b40fca42a7e3e9bb41fe101..bf37322877cfa255ab623cbd0e0521b1f17d7ac0 100644
--- a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraReactionNonOrthogonalAxes.cpp
+++ b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraReactionNonOrthogonalAxes.cpp
@@ -93,7 +93,7 @@ void pqCameraReactionNonOrthogonalAxes::updateEnableState() {
this->parentAction()->setEnabled(true);
} else if (rview) {
if (this->ReactionMode == ZOOM_TO_DATA) {
- this->parentAction()->setEnabled(source != 0);
+ this->parentAction()->setEnabled(source != nullptr);
} else {
// Check hints to see if actions should be disabled
bool cameraResetButtonsEnabled = true;
diff --git a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraToolbarNonOrthogonalAxes.cpp b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraToolbarNonOrthogonalAxes.cpp
index 1b9410c7dffefc0e3974689cbfe763d803092a61..9482ec1aa71da8e20962e34b1ae989c0bf39f188 100644
--- a/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraToolbarNonOrthogonalAxes.cpp
+++ b/qt/paraview_ext/VatesSimpleGui/ViewWidgets/src/pqCameraToolbarNonOrthogonalAxes.cpp
@@ -68,7 +68,7 @@ void pqCameraToolbarNonOrthogonalAxes::constructor() {
this->ZoomToDataAction = ui.actionZoomToData;
this->ZoomToDataAction->setEnabled(
- pqActiveObjects::instance().activeSource() != 0);
+ pqActiveObjects::instance().activeSource() != nullptr);
QObject::connect(&pqActiveObjects::instance(), SIGNAL(viewChanged(pqView *)),
this, SLOT(updateEnabledState()));
diff --git a/qt/python/mantidqtpython/CMakeLists.txt b/qt/python/mantidqtpython/CMakeLists.txt
index abe26f33c55c13817a7fdd62375d0414934591bf..9392c2b706cf91c8f1c3543c25fcbb333bddec9e 100644
--- a/qt/python/mantidqtpython/CMakeLists.txt
+++ b/qt/python/mantidqtpython/CMakeLists.txt
@@ -31,34 +31,34 @@ set ( SIP_HDRS
${WIDGETS_SRC_DIR}/refdetectorview/inc/MantidQtWidgets/RefDetectorView/RefIVConnections.h
${WIDGETS_SRC_DIR}/refdetectorview/inc/MantidQtWidgets/RefDetectorView/RefMatrixWSImageView.h
${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/FitPropertyBrowser.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/WhiteList.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h
${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h
${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h
- ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h
+ ${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h
${WIDGETS_SRC_DIR}/common/inc/MantidQtWidgets/Common/SlitCalculator.h
${WIDGETS_SRC_DIR}/instrumentview/inc/MantidQtWidgets/InstrumentView/InstrumentWidgetTab.h
${WIDGETS_SRC_DIR}/instrumentview/inc/MantidQtWidgets/InstrumentView/InstrumentWidget.h
diff --git a/qt/python/mantidqtpython/mantidqt.sip b/qt/python/mantidqtpython/mantidqt.sip
index 0a6a2efc29a820d65783ed85bfc8e4ecf18d43d7..d119fdd50bec219a4911db181c85c08490a2a661 100644
--- a/qt/python/mantidqtpython/mantidqt.sip
+++ b/qt/python/mantidqtpython/mantidqt.sip
@@ -162,7 +162,7 @@ class InterfaceManager
%End
public:
MantidQt::API::AlgorithmDialog* createDialogFromName(const QString&, const int = -1,
- QWidget* = 0, bool = false);
+ QWidget* = 0, bool = false) throw(std::exception);
MantidQt::API::UserSubWindow* createSubWindow(const QString& interface_name, QWidget* parent = 0);
void showHelpPage(const QString & url=QString());
@@ -1492,42 +1492,44 @@ namespace MantidQt
{
namespace MantidWidgets
{
-class DataProcessorWhiteList
+namespace DataProcessor
+{
+class WhiteList
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
%End
public:
-DataProcessorWhiteList();
+WhiteList();
void addElement(const QString &, const QString &, const QString &, bool showValue = false, const QString &prefix = "");
};
-class DataProcessorPreprocessMap
+class PreprocessMap
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h"
%End
public:
-DataProcessorPreprocessMap();
+PreprocessMap();
void addElement(const QString &, const QString &, const QString &prefix = "", const QString &blacklist = "");
};
-class DataProcessorProcessingAlgorithm
+class ProcessingAlgorithm
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
%End
public:
-DataProcessorProcessingAlgorithm(const QString &, const QString &, const QString &blacklist = "");
+ProcessingAlgorithm(const QString &, const QString &, const QString &blacklist = "");
};
-class DataProcessorPostprocessingAlgorithm
+class PostprocessingAlgorithm
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
%End
public:
-DataProcessorPostprocessingAlgorithm(const QString &, const QString &, const QString &);
+PostprocessingAlgorithm(const QString &, const QString &, const QString &);
};
class QDataProcessorWidget : QWidget
@@ -1536,25 +1538,25 @@ class QDataProcessorWidget : QWidget
#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h"
%End
public:
-QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
+ const MantidQt::MantidWidgets::DataProcessor::ProcessingAlgorithm &,
QWidget *parent );
-QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
- const MantidQt::MantidWidgets::DataProcessorProcessingAlgorithm &,
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
QWidget *parent );
-QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
- const MantidQt::MantidWidgets::DataProcessorPreprocessMap &,
- const MantidQt::MantidWidgets::DataProcessorProcessingAlgorithm &,
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
+ const MantidQt::MantidWidgets::DataProcessor::PreprocessMap &,
+ const MantidQt::MantidWidgets::DataProcessor::ProcessingAlgorithm &,
QWidget *parent );
-QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
- const MantidQt::MantidWidgets::DataProcessorProcessingAlgorithm &,
- const MantidQt::MantidWidgets::DataProcessorPostprocessingAlgorithm &,
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
+ const MantidQt::MantidWidgets::DataProcessor::ProcessingAlgorithm &,
+ const MantidQt::MantidWidgets::DataProcessor::PostprocessingAlgorithm &,
QWidget *parent );
-QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessorWhiteList &,
- const MantidQt::MantidWidgets::DataProcessorPreprocessMap &,
- const MantidQt::MantidWidgets::DataProcessorProcessingAlgorithm &,
- const MantidQt::MantidWidgets::DataProcessorPostprocessingAlgorithm &,
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::WhiteList &,
+ const MantidQt::MantidWidgets::DataProcessor::PreprocessMap &,
+ const MantidQt::MantidWidgets::DataProcessor::ProcessingAlgorithm &,
+ const MantidQt::MantidWidgets::DataProcessor::PostprocessingAlgorithm &,
QWidget *parent );
-void accept(MantidQt::MantidWidgets::DataProcessorMainPresenter *);
+void accept(MantidQt::MantidWidgets::DataProcessor::DataProcessorMainPresenter *);
void setInstrumentList(const QString &instruments, const QString &defaultInstrument);
QString getCurrentInstrument() const;
void transfer(const QList<QString> &);
@@ -1571,7 +1573,7 @@ void processingFinished();
void instrumentHasChanged();
private:
-QDataProcessorWidget(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+QDataProcessorWidget(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
};
class DataProcessorMainPresenter
@@ -1589,13 +1591,13 @@ virtual QString getPostprocessingOptions() const;
virtual void notifyADSChanged(const QSet<QString> &);
};
-class DataProcessorAppendRowCommand
+class AppendRowCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
%End
public:
-DataProcessorAppendRowCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+AppendRowCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1604,17 +1606,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorAppendRowCommand();
-DataProcessorAppendRowCommand(const MantidQt::MantidWidgets::DataProcessorAppendRowCommand &);
+AppendRowCommand();
+AppendRowCommand(const MantidQt::MantidWidgets::DataProcessor::AppendRowCommand &);
};
-class DataProcessorAppendGroupCommand
+class AppendGroupCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h"
%End
public:
-DataProcessorAppendGroupCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+AppendGroupCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1623,17 +1625,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorAppendGroupCommand();
-DataProcessorAppendGroupCommand(const MantidQt::MantidWidgets::DataProcessorAppendGroupCommand &);
+AppendGroupCommand();
+AppendGroupCommand(const MantidQt::MantidWidgets::DataProcessor::AppendGroupCommand &);
};
-class DataProcessorClearSelectedCommand
+class ClearSelectedCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
%End
public:
-DataProcessorClearSelectedCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+ClearSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1642,17 +1644,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorClearSelectedCommand();
-DataProcessorClearSelectedCommand(const MantidQt::MantidWidgets::DataProcessorClearSelectedCommand &);
+ClearSelectedCommand();
+ClearSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::ClearSelectedCommand &);
};
-class DataProcessorCopySelectedCommand
+class CopySelectedCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
%End
public:
-DataProcessorCopySelectedCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+CopySelectedCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1661,17 +1663,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorCopySelectedCommand();
-DataProcessorCopySelectedCommand(const MantidQt::MantidWidgets::DataProcessorCopySelectedCommand &);
+CopySelectedCommand();
+CopySelectedCommand(const MantidQt::MantidWidgets::DataProcessor::CopySelectedCommand &);
};
-class DataProcessorCutSelectedCommand
+class CutSelectedCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
%End
public:
-DataProcessorCutSelectedCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+CutSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1680,17 +1682,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorCutSelectedCommand();
-DataProcessorCutSelectedCommand(const MantidQt::MantidWidgets::DataProcessorCutSelectedCommand &);
+CutSelectedCommand();
+CutSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::CutSelectedCommand &);
};
-class DataProcessorDeleteGroupCommand
+class DeleteGroupCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h"
%End
public:
-DataProcessorDeleteGroupCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+DeleteGroupCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1699,17 +1701,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorDeleteGroupCommand();
-DataProcessorDeleteGroupCommand(const MantidQt::MantidWidgets::DataProcessorDeleteGroupCommand &);
+DeleteGroupCommand();
+DeleteGroupCommand(const MantidQt::MantidWidgets::DataProcessor::DeleteGroupCommand &);
};
-class DataProcessorDeleteRowCommand
+class DeleteRowCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
%End
public:
-DataProcessorDeleteRowCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+DeleteRowCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1718,17 +1720,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorDeleteRowCommand();
-DataProcessorDeleteRowCommand(const MantidQt::MantidWidgets::DataProcessorDeleteRowCommand &);
+DeleteRowCommand();
+DeleteRowCommand(const MantidQt::MantidWidgets::DataProcessor::DeleteRowCommand &);
};
-class DataProcessorExpandCommand
+class ExpandCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h"
%End
public:
-DataProcessorExpandCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+ExpandCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1737,17 +1739,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorExpandCommand();
-DataProcessorExpandCommand(const MantidQt::MantidWidgets::DataProcessorExpandCommand &);
+ExpandCommand();
+ExpandCommand(const MantidQt::MantidWidgets::DataProcessor::ExpandCommand &);
};
-class DataProcessorExportTableCommand
+class ExportTableCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
%End
public:
-DataProcessorExportTableCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+ExportTableCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1756,17 +1758,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorExportTableCommand();
-DataProcessorExportTableCommand(const MantidQt::MantidWidgets::DataProcessorExportTableCommand &);
+ExportTableCommand();
+ExportTableCommand(const MantidQt::MantidWidgets::DataProcessor::ExportTableCommand &);
};
-class DataProcessorGroupRowsCommand
+class GroupRowsCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h"
%End
public:
-DataProcessorGroupRowsCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+GroupRowsCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1775,17 +1777,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorGroupRowsCommand();
-DataProcessorGroupRowsCommand(const MantidQt::MantidWidgets::DataProcessorGroupRowsCommand &);
+GroupRowsCommand();
+GroupRowsCommand(const MantidQt::MantidWidgets::DataProcessor::GroupRowsCommand &);
};
-class DataProcessorImportTableCommand
+class ImportTableCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
%End
public:
-DataProcessorImportTableCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+ImportTableCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1794,17 +1796,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorImportTableCommand();
-DataProcessorImportTableCommand(const MantidQt::MantidWidgets::DataProcessorImportTableCommand &);
+ImportTableCommand();
+ImportTableCommand(const MantidQt::MantidWidgets::DataProcessor::ImportTableCommand &);
};
-class DataProcessorNewTableCommand
+class NewTableCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
%End
public:
-DataProcessorNewTableCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+NewTableCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1813,17 +1815,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorNewTableCommand();
-DataProcessorNewTableCommand(const MantidQt::MantidWidgets::DataProcessorNewTableCommand &);
+NewTableCommand();
+NewTableCommand(const MantidQt::MantidWidgets::DataProcessor::NewTableCommand &);
};
-class DataProcessorOpenTableCommand
+class OpenTableCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
%End
public:
-DataProcessorOpenTableCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+OpenTableCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1832,17 +1834,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorOpenTableCommand();
-DataProcessorOpenTableCommand(const MantidQt::MantidWidgets::DataProcessorOpenTableCommand &);
+OpenTableCommand();
+OpenTableCommand(const MantidQt::MantidWidgets::DataProcessor::OpenTableCommand &);
};
-class DataProcessorOptionsCommand
+class OptionsCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
%End
public:
-DataProcessorOptionsCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+OptionsCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1851,17 +1853,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorOptionsCommand();
-DataProcessorOptionsCommand(const MantidQt::MantidWidgets::DataProcessorOptionsCommand &);
+OptionsCommand();
+OptionsCommand(const MantidQt::MantidWidgets::DataProcessor::OptionsCommand &);
};
-class DataProcessorPasteSelectedCommand
+class PasteSelectedCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
%End
public:
-DataProcessorPasteSelectedCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+PasteSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1870,17 +1872,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorPasteSelectedCommand();
-DataProcessorPasteSelectedCommand(const MantidQt::MantidWidgets::DataProcessorPasteSelectedCommand &);
+PasteSelectedCommand();
+PasteSelectedCommand(const MantidQt::MantidWidgets::DataProcessor::PasteSelectedCommand &);
};
-class DataProcessorPlotGroupCommand
+class PlotGroupCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h"
%End
public:
-DataProcessorPlotGroupCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+PlotGroupCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1889,17 +1891,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorPlotGroupCommand();
-DataProcessorPlotGroupCommand(const MantidQt::MantidWidgets::DataProcessorPlotGroupCommand &);
+PlotGroupCommand();
+PlotGroupCommand(const MantidQt::MantidWidgets::DataProcessor::PlotGroupCommand &);
};
-class DataProcessorPlotRowCommand
+class PlotRowCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
%End
public:
-DataProcessorPlotRowCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+PlotRowCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1908,17 +1910,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorPlotRowCommand();
-DataProcessorPlotRowCommand(const MantidQt::MantidWidgets::DataProcessorPlotRowCommand &);
+PlotRowCommand();
+PlotRowCommand(const MantidQt::MantidWidgets::DataProcessor::PlotRowCommand &);
};
-class DataProcessorProcessCommand
+class ProcessCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
%End
public:
-DataProcessorProcessCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+ProcessCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1927,17 +1929,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorProcessCommand();
-DataProcessorProcessCommand(const MantidQt::MantidWidgets::DataProcessorProcessCommand &);
+ProcessCommand();
+ProcessCommand(const MantidQt::MantidWidgets::DataProcessor::ProcessCommand &);
};
-class DataProcessorSaveTableCommand
+class SaveTableCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
%End
public:
-DataProcessorSaveTableCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+SaveTableCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1946,17 +1948,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorSaveTableCommand();
-DataProcessorSaveTableCommand(const MantidQt::MantidWidgets::DataProcessorSaveTableCommand &);
+SaveTableCommand();
+SaveTableCommand(const MantidQt::MantidWidgets::DataProcessor::SaveTableCommand &);
};
-class DataProcessorSaveTableAsCommand
+class SaveTableAsCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
%End
public:
-DataProcessorSaveTableAsCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+SaveTableAsCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1965,17 +1967,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorSaveTableAsCommand();
-DataProcessorSaveTableAsCommand(const MantidQt::MantidWidgets::DataProcessorSaveTableAsCommand &);
+SaveTableAsCommand();
+SaveTableAsCommand(const MantidQt::MantidWidgets::DataProcessor::SaveTableAsCommand &);
};
-class DataProcessorSeparatorCommand
+class SeparatorCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
%End
public:
-DataProcessorSeparatorCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &);
+SeparatorCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &);
void execute();
QString name();
QString icon();
@@ -1984,17 +1986,17 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorSeparatorCommand();
-DataProcessorSeparatorCommand(const MantidQt::MantidWidgets::DataProcessorSeparatorCommand &);
+SeparatorCommand();
+SeparatorCommand(const MantidQt::MantidWidgets::DataProcessor::SeparatorCommand &);
};
-class DataProcessorWorkspaceCommand
+class WorkspaceCommand
{
%TypeHeaderCode
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h"
%End
public:
-DataProcessorWorkspaceCommand(const MantidQt::MantidWidgets::QDataProcessorWidget &, const QString &);
+WorkspaceCommand(const MantidQt::MantidWidgets::DataProcessor::QDataProcessorWidget &, const QString &);
void execute();
QString name();
QString icon();
@@ -2003,10 +2005,11 @@ QString whatsthis();
QString shortcut();
private:
-DataProcessorWorkspaceCommand();
-DataProcessorWorkspaceCommand(const MantidQt::MantidWidgets::DataProcessorWorkspaceCommand &);
+WorkspaceCommand();
+WorkspaceCommand(const MantidQt::MantidWidgets::DataProcessor::WorkspaceCommand &);
};
+}; // end namespace DataProcessor
}; // end namespace MantidWidgets
}; // end namespace MantidQt
diff --git a/qt/scientific_interfaces/General/Homer.cpp b/qt/scientific_interfaces/General/Homer.cpp
index 000236d7edd2a39a8e7536cd0c010122295290de..8a35ccfe0aa150b3d80ac3478a1e78949a1556b2 100644
--- a/qt/scientific_interfaces/General/Homer.cpp
+++ b/qt/scientific_interfaces/General/Homer.cpp
@@ -728,9 +728,9 @@ void Homer::setIDFValues(const QString &) {
"bkg_rane = prop_man.bkgd_range\n";
param_defs = param_defs.arg(prefix);
- param_defs += "print '{0}\\n{1}\\n{2}\\n{3}\\n{4}\\n{5}\\n'"
+ param_defs += "print('{0}\\n{1}\\n{2}\\n{3}\\n{4}\\n{5}\\n'"
".format(int_range[0],int_range[1],prop_man.van_mass,"
- "bkg_rane[0],bkg_rane[1],str(prop_man.check_background))\n";
+ "bkg_rane[0],bkg_rane[1],str(prop_man.check_background)))\n";
QString pyOutput = runPythonCode(param_defs).trimmed();
QStringList values = pyOutput.split("\n", QString::SkipEmptyParts);
diff --git a/qt/scientific_interfaces/ISISReflectometry/IReflRunsTabView.h b/qt/scientific_interfaces/ISISReflectometry/IReflRunsTabView.h
index 8b9cd8844df231d3a2ca2990e4d4958928dd5f32..725d127a6def28aeb15268d65f1c32a6627f4b41 100644
--- a/qt/scientific_interfaces/ISISReflectometry/IReflRunsTabView.h
+++ b/qt/scientific_interfaces/ISISReflectometry/IReflRunsTabView.h
@@ -8,7 +8,9 @@
namespace MantidQt {
namespace MantidWidgets {
-class DataProcessorCommand;
+namespace DataProcessor {
+class Command;
+}
}
namespace API {
class AlgorithmRunner;
@@ -16,8 +18,7 @@ class AlgorithmRunner;
namespace CustomInterfaces {
-using MantidWidgets::DataProcessorCommand;
-using API::AlgorithmRunner;
+namespace DataProcessor = MantidWidgets::DataProcessor;
class IReflRunsTabPresenter;
class ReflSearchModel;
@@ -61,9 +62,9 @@ public:
const std::string &defaultInstrument) = 0;
virtual void setTransferMethods(const std::set<std::string> &methods) = 0;
virtual void setTableCommands(
- std::vector<std::unique_ptr<DataProcessorCommand>> tableCommands) = 0;
+ std::vector<std::unique_ptr<DataProcessor::Command>> tableCommands) = 0;
virtual void setRowCommands(
- std::vector<std::unique_ptr<DataProcessorCommand>> rowCommands) = 0;
+ std::vector<std::unique_ptr<DataProcessor::Command>> rowCommands) = 0;
virtual void setAllSearchRowsSelected() = 0;
virtual void clearCommands() = 0;
virtual void setRowActionEnabled(int index, bool enabled) = 0;
diff --git a/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.cpp b/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.cpp
index 949ca5b232a179a3a56020639efc396226d107a5..a14f513cc6373a5f9488715efc31b269d4cc0f7c 100644
--- a/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.cpp
+++ b/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.cpp
@@ -8,7 +8,7 @@
#include "ReflGenericDataProcessorPresenterFactory.h"
#include "ReflRunsTabPresenter.h"
#include "ReflSearchModel.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h"
#include "MantidQtWidgets/Common/HintingLineEditFactory.h"
@@ -51,20 +51,24 @@ void QtReflRunsTabView::initLayout() {
ReflGenericDataProcessorPresenterFactory presenterFactory;
QDataProcessorWidget *qDataProcessorWidget_1 = new QDataProcessorWidget(
- std::unique_ptr<DataProcessorPresenter>(presenterFactory.create()), this);
+ std::unique_ptr<DataProcessor::DataProcessorPresenter>(
+ presenterFactory.create()),
+ this);
ui.toolbox->addItem(qDataProcessorWidget_1, "Group 1");
connect(qDataProcessorWidget_1,
SIGNAL(runAsPythonScript(const QString &, bool)), this,
SIGNAL(runAsPythonScript(const QString &, bool)));
QDataProcessorWidget *qDataProcessorWidget_2 = new QDataProcessorWidget(
- std::unique_ptr<DataProcessorPresenter>(presenterFactory.create()), this);
+ std::unique_ptr<DataProcessor::DataProcessorPresenter>(
+ presenterFactory.create()),
+ this);
ui.toolbox->addItem(qDataProcessorWidget_2, "Group 2");
connect(qDataProcessorWidget_2,
SIGNAL(runAsPythonScript(const QString &, bool)), this,
SIGNAL(runAsPythonScript(const QString &, bool)));
- std::vector<DataProcessorPresenter *> processingWidgets;
+ std::vector<DataProcessor::DataProcessorPresenter *> processingWidgets;
processingWidgets.push_back(qDataProcessorWidget_1->getPresenter());
processingWidgets.push_back(qDataProcessorWidget_2->getPresenter());
@@ -114,10 +118,10 @@ void QtReflRunsTabView::initLayout() {
* @param command : [input] The command (action) to add
*/
void QtReflRunsTabView::addToMenu(QMenu *menu,
- DataProcessorCommand_uptr command) {
+ DataProcessor::Command_uptr command) {
- m_commands.push_back(Mantid::Kernel::make_unique<DataProcessorCommandAdapter>(
- menu, std::move(command)));
+ m_commands.push_back(
+ Mantid::Kernel::make_unique<QtCommandAdapter>(menu, std::move(command)));
}
/**
@@ -126,7 +130,7 @@ void QtReflRunsTabView::addToMenu(QMenu *menu,
* "Reflectometry" menu
*/
void QtReflRunsTabView::setTableCommands(
- std::vector<DataProcessorCommand_uptr> tableCommands) {
+ std::vector<DataProcessor::Command_uptr> tableCommands) {
ui.menuTable->clear();
for (auto &command : tableCommands) {
@@ -145,7 +149,7 @@ void QtReflRunsTabView::setTableCommands(
* @param rowCommands : [input] The list of commands to add to the "Edit" menu
*/
void QtReflRunsTabView::setRowCommands(
- std::vector<DataProcessorCommand_uptr> rowCommands) {
+ std::vector<DataProcessor::Command_uptr> rowCommands) {
ui.menuRows->clear();
for (auto &command : rowCommands) {
diff --git a/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.h b/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.h
index 422d49159c63fa031ca983d9e3f76be4ca1483be..300c64658d47496a3ae62f80cd4262b9d6c71272 100644
--- a/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.h
+++ b/qt/scientific_interfaces/ISISReflectometry/QtReflRunsTabView.h
@@ -12,9 +12,11 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
// Forward decs
-class DataProcessorCommand;
-class DataProcessorCommandAdapter;
+class Command;
+class QtCommandAdapter;
+}
class SlitCalculator;
}
namespace API {
@@ -27,9 +29,8 @@ namespace CustomInterfaces {
class IReflRunsTabPresenter;
class ReflSearchModel;
-using MantidWidgets::DataProcessorCommand;
-using MantidWidgets::DataProcessorCommandAdapter;
using MantidWidgets::SlitCalculator;
+namespace DataProcessor = MantidWidgets::DataProcessor;
/** QtReflRunsTabView : Provides an interface for the "Runs" tab in the
ISIS Reflectometry interface.
@@ -72,10 +73,10 @@ public:
void setInstrumentList(const std::vector<std::string> &instruments,
const std::string &defaultInstrument) override;
void setTransferMethods(const std::set<std::string> &methods) override;
- void setTableCommands(std::vector<std::unique_ptr<DataProcessorCommand>>
+ void setTableCommands(std::vector<std::unique_ptr<DataProcessor::Command>>
tableCommands) override;
- void setRowCommands(
- std::vector<std::unique_ptr<DataProcessorCommand>> rowCommands) override;
+ void setRowCommands(std::vector<std::unique_ptr<DataProcessor::Command>>
+ rowCommands) override;
void setAllSearchRowsSelected() override;
void clearCommands() override;
void setRowActionEnabled(int index, bool enabled) override;
@@ -101,7 +102,7 @@ private:
/// initialise the interface
void initLayout();
// Adds an action (command) to a menu
- void addToMenu(QMenu *menu, std::unique_ptr<DataProcessorCommand> command);
+ void addToMenu(QMenu *menu, std::unique_ptr<DataProcessor::Command> command);
boost::shared_ptr<MantidQt::API::AlgorithmRunner> m_algoRunner;
@@ -114,7 +115,7 @@ private:
// the slit calculator
SlitCalculator *m_calculator;
// Command adapters
- std::vector<std::unique_ptr<DataProcessorCommandAdapter>> m_commands;
+ std::vector<std::unique_ptr<DataProcessor::QtCommandAdapter>> m_commands;
private slots:
void on_actionSearch_triggered();
diff --git a/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.cpp b/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.cpp
index 5f0a36abe0b7dd4e773488b5ca63e3fbbacb181d..9b6f6a8ded8975a1d6486e1ce679cfcb01448547 100644
--- a/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.cpp
+++ b/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.cpp
@@ -3,13 +3,14 @@
#include "MantidAPI/IEventWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/Run.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TreeManager.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h"
+#include "MantidQtWidgets/Common/ParseKeyValueString.h"
+#include "MantidQtWidgets/Common/ParseNumerics.h"
#include "MantidQtWidgets/Common/ProgressPresenter.h"
#include "ReflFromStdStringMap.h"
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace MantidQt::MantidWidgets;
using namespace Mantid::API;
@@ -20,18 +21,18 @@ namespace CustomInterfaces {
* Constructor
* @param whitelist : The set of properties we want to show as columns
* @param preprocessMap : A map containing instructions for pre-processing
-* @param processor : A DataProcessorProcessingAlgorithm
-* @param postprocessor : A DataProcessorPostprocessingAlgorithm
+* @param processor : A ProcessingAlgorithm
+* @param postprocessor : A PostprocessingAlgorithm
* workspaces
* @param postprocessMap : A map containing instructions for post-processing.
* This map links column name to properties of the post-processing algorithm
* @param loader : The algorithm responsible for loading data
*/
ReflDataProcessorPresenter::ReflDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> &postprocessMap, const QString &loader)
: GenericDataProcessorPresenter(whitelist, preprocessMap, processor,
postprocessor, postprocessMap, loader) {}
diff --git a/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.h b/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.h
index 77f1bd210b014888b628caedbf6ff8e135ea0807..739a6ad34f2aab12d6dc6457d95bb2cae7c71421 100644
--- a/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.h
+++ b/qt/scientific_interfaces/ISISReflectometry/ReflDataProcessorPresenter.h
@@ -3,7 +3,7 @@
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TreeManager.h"
#include "MantidAPI/IEventWorkspace_fwd.h"
#include "DllConfig.h"
@@ -11,7 +11,7 @@
namespace MantidQt {
namespace CustomInterfaces {
-using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
/** @class ReflDataProcessorPresenter
@@ -44,11 +44,10 @@ class MANTIDQT_ISISREFLECTOMETRY_DLL ReflDataProcessorPresenter
public:
// Constructor
ReflDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &
- preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> &postprocessMap =
std::map<QString, QString>(),
const QString &loader = "Load");
@@ -110,8 +109,9 @@ private:
retrieveWorkspace(QString const &name) const;
// Asks user if they wish to proceed if a type of workspace exists in the ADS
- bool proceedIfWSTypeInADS(const MantidQt::MantidWidgets::TreeData &data,
- const bool findEventWS);
+ bool proceedIfWSTypeInADS(
+ const MantidQt::MantidWidgets::DataProcessor::TreeData &data,
+ const bool findEventWS);
std::map<int, std::map<int, size_t>> m_numSlicesMap;
std::map<int, size_t> m_numGroupSlicesMap;
diff --git a/qt/scientific_interfaces/ISISReflectometry/ReflGenericDataProcessorPresenterFactory.cpp b/qt/scientific_interfaces/ISISReflectometry/ReflGenericDataProcessorPresenterFactory.cpp
index 75d02daac096f1c422a0e0ce8045f4ae177b4dc9..246b8fecfc7d3190c3fb5138217b671e3f69887e 100644
--- a/qt/scientific_interfaces/ISISReflectometry/ReflGenericDataProcessorPresenterFactory.cpp
+++ b/qt/scientific_interfaces/ISISReflectometry/ReflGenericDataProcessorPresenterFactory.cpp
@@ -21,7 +21,7 @@ ReflGenericDataProcessorPresenterFactory::create() {
// 'dq/Q' column will be linked to 'MomentumTransferStep'
// 'Scale' column will be linked to 'ScaleFactor'
// Descriptions can also be added
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run(s)", "InputWorkspace",
"<b>Sample runs to be processed.</b><br "
"/><i>required</i><br />Runs may be given as run "
@@ -68,7 +68,7 @@ ReflGenericDataProcessorPresenterFactory::create() {
"the value of this column. <br /><br /><b>Example:</b> <samp>1</samp>");
// The data processor algorithm
- DataProcessorProcessingAlgorithm processor(
+ ProcessingAlgorithm processor(
/*The name of the algorithm */
"ReflectometryReductionOneAuto",
/*Prefixes to the output workspaces*/
@@ -84,22 +84,22 @@ ReflGenericDataProcessorPresenterFactory::create() {
// Pre-processing instructions as a map:
// Keys are the column names
// Values are the pre-processing algorithms that will be applied to columns
- std::map<QString, DataProcessorPreprocessingAlgorithm> preprocessMap = {
+ std::map<QString, PreprocessingAlgorithm> preprocessMap = {
/* 'Plus' will be applied to column 'Run(s)'*/
{"Run(s)",
- DataProcessorPreprocessingAlgorithm(
- "Plus", "TOF_", std::set<QString>{"LHSWorkspace", "RHSWorkspace",
- "OutputWorkspace"})},
+ PreprocessingAlgorithm("Plus", "TOF_",
+ std::set<QString>{"LHSWorkspace", "RHSWorkspace",
+ "OutputWorkspace"})},
/* 'CreateTransmissionWorkspaceAuto' will be applied to column
'Transmission Run(s)'*/
{"Transmission Run(s)",
- DataProcessorPreprocessingAlgorithm(
- "CreateTransmissionWorkspaceAuto", "TRANS_",
- std::set<QString>{"FirstTransmissionRun", "SecondTransmissionRun",
- "OutputWorkspace"})}};
+ PreprocessingAlgorithm("CreateTransmissionWorkspaceAuto", "TRANS_",
+ std::set<QString>{"FirstTransmissionRun",
+ "SecondTransmissionRun",
+ "OutputWorkspace"})}};
// The post-processing algorithm
- DataProcessorPostprocessingAlgorithm postprocessor(
+ PostprocessingAlgorithm postprocessor(
"Stitch1DMany", "IvsQ_",
std::set<QString>{"InputWorkspaces", "OutputWorkspace"});
diff --git a/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.cpp b/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.cpp
index 5ce120555c1eed8fdc9e2c03323a88672fbcaa48..9ec597eb07cc910d21095203bd8454af0ccf7b9d 100644
--- a/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.cpp
+++ b/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.cpp
@@ -15,7 +15,7 @@
#include "ReflNexusMeasurementItemSource.h"
#include "ReflSearchModel.h"
#include "ReflFromStdStringMap.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/Command.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
#include "MantidQtWidgets/Common/ProgressPresenter.h"
@@ -165,12 +165,12 @@ void ReflRunsTabPresenter::pushCommands() {
const size_t rowCommStart = 10u;
// We want to have two menus
// Populate the "Reflectometry" menu
- std::vector<DataProcessorCommand_uptr> tableCommands;
+ std::vector<MantidWidgets::DataProcessor::Command_uptr> tableCommands;
for (size_t i = 0; i < rowCommStart; i++)
tableCommands.push_back(std::move(commands[i]));
m_view->setTableCommands(std::move(tableCommands));
// Populate the "Edit" menu
- std::vector<DataProcessorCommand_uptr> rowCommands;
+ std::vector<MantidWidgets::DataProcessor::Command_uptr> rowCommands;
for (size_t i = rowCommStart; i < nCommands; i++)
rowCommands.push_back(std::move(commands[i]));
m_view->setRowCommands(std::move(rowCommands));
diff --git a/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.h b/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.h
index ce2c688b6e57b9f1dc21756b443ce162a110d1d1..e5a38950253b87408c9b9dc30abde43a44689ceb 100644
--- a/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.h
+++ b/qt/scientific_interfaces/ISISReflectometry/ReflRunsTabPresenter.h
@@ -12,8 +12,10 @@ namespace MantidQt {
namespace MantidWidgets {
// Forward decs
class ProgressableView;
+namespace DataProcessor {
class DataProcessorPresenter;
}
+}
namespace CustomInterfaces {
@@ -24,8 +26,8 @@ class IReflSearcher;
class ReflSearchModel;
class ReflTransferStrategy;
-using MantidWidgets::DataProcessorPresenter;
using MantidWidgets::ProgressableView;
+using MantidWidgets::DataProcessor::DataProcessorPresenter;
/** @class ReflRunsTabPresenter
@@ -55,7 +57,7 @@ Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTIDQT_ISISREFLECTOMETRY_DLL ReflRunsTabPresenter
: public IReflRunsTabPresenter,
- public MantidQt::MantidWidgets::DataProcessorMainPresenter {
+ public MantidWidgets::DataProcessor::DataProcessorMainPresenter {
public:
ReflRunsTabPresenter(IReflRunsTabView *mainView,
ProgressableView *progressView,
diff --git a/qt/scientific_interfaces/ISISSANS/SANSRunWindow.cpp b/qt/scientific_interfaces/ISISSANS/SANSRunWindow.cpp
index fcac77acab91323d8fd7777956a082591567e7b7..3e32f174736e6f57b9ecb499bbae89dd332bcb6c 100644
--- a/qt/scientific_interfaces/ISISSANS/SANSRunWindow.cpp
+++ b/qt/scientific_interfaces/ISISSANS/SANSRunWindow.cpp
@@ -35,7 +35,6 @@
#include <Poco/Message.h>
#include <Poco/StringTokenizer.h>
-#include <boost/foreach.hpp>
#include <boost/lexical_cast.hpp>
#include <boost/tuple/tuple.hpp>
@@ -2139,7 +2138,7 @@ bool SANSRunWindow::handleLoadButtonClick() {
// Populate the sample geometry fields, but replace any zero values with
// 1.0, and
// warn the user where this has occured.
- BOOST_FOREACH (auto info, sampleInfoList) {
+ for (auto info : sampleInfoList) {
const auto value = info.get<1>()(&sample);
if (value == 0.0)
g_log.warning("The sample geometry " + info.get<2>() +
diff --git a/qt/scientific_interfaces/Indirect/ConvFit.cpp b/qt/scientific_interfaces/Indirect/ConvFit.cpp
index 2d2d75f432fa5485feffb6fc5857a27e3384fdae..f1cd772b7255fdee13a4fb8e87f39cf6a8ca4677 100644
--- a/qt/scientific_interfaces/Indirect/ConvFit.cpp
+++ b/qt/scientific_interfaces/Indirect/ConvFit.cpp
@@ -7,6 +7,8 @@
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FunctionDomain1D.h"
#include "MantidAPI/FunctionFactory.h"
+#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidGeometry/Instrument.h"
@@ -171,7 +173,7 @@ void ConvFit::setup() {
// Replot input automatically when file / spec no changes
connect(m_uiForm.spPlotSpectrum, SIGNAL(valueChanged(int)), this,
- SLOT(updatePlot()));
+ SLOT(plotSpecChanged(int)));
connect(m_uiForm.dsSampleInput, SIGNAL(dataReady(const QString &)), this,
SLOT(newDataLoaded(const QString &)));
@@ -207,7 +209,9 @@ void ConvFit::setup() {
connect(m_uiForm.pbPlotPreview, SIGNAL(clicked()), this,
SLOT(plotCurrentPreview()));
+ m_uiForm.ckTieCentres->setChecked(true);
m_previousFit = m_uiForm.cbFitType->currentText();
+ m_fittedIndex = -1;
updatePlotOptions();
}
@@ -315,6 +319,7 @@ IAlgorithm_sptr ConvFit::sequentialFit(const std::string &specMin,
// Add fit specific suffix
const auto bgType = backgroundString();
const auto fitType = fitTypeString();
+ m_fittedIndex = m_uiForm.cbFitType->currentIndex();
outputWSName += "conv_";
outputWSName += fitType;
outputWSName += bgType;
@@ -442,15 +447,19 @@ void ConvFit::plotCurrentPreview() {
*/
void ConvFit::algorithmComplete(bool error, const QString &outputWSName) {
- if (error)
+ if (error) {
+ m_fittedIndex = -1;
return;
+ }
+
+ std::string outputPrefix = outputWSName.toStdString();
- const auto resultName = outputWSName.toStdString() + "_Result";
+ const auto resultName = outputPrefix + "_Result";
MatrixWorkspace_sptr resultWs =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(resultName);
// Name for GroupWorkspace
- const auto groupName = outputWSName.toStdString() + "_Workspaces";
+ const auto groupName = outputPrefix + "_Workspaces";
// Add Sample logs for ResolutionFiles
const auto resFile = m_uiForm.dsResInput->getCurrentDataName().toStdString();
addSampleLogsToWorkspace(resultName, "resolution_filename", resFile,
@@ -481,6 +490,15 @@ void ConvFit::algorithmComplete(bool error, const QString &outputWSName) {
}
m_batchAlgoRunner->executeBatchAsync();
updatePlot();
+
+ std::string paramWsName = outputPrefix + "_Parameters";
+
+ if (AnalysisDataService::Instance().doesExist(paramWsName)) {
+ m_paramWs = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(
+ paramWsName);
+ updateParameters(m_uiForm.spPlotSpectrum->value());
+ }
+
m_uiForm.pbSave->setEnabled(true);
m_uiForm.pbPlot->setEnabled(true);
}
@@ -1174,29 +1192,170 @@ void ConvFit::updatePlot() {
}
// If there is a result workspace plot then plot it
- const auto groupName = m_baseName.toStdString() + "_Workspaces";
-
- if (AnalysisDataService::Instance().doesExist(groupName)) {
- WorkspaceGroup_sptr outputGroup =
- AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(groupName);
- if (specNo - m_runMin >= static_cast<int>(outputGroup->size()))
- return;
- if ((specNo - m_runMin) >= 0) {
- MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
- outputGroup->getItem(specNo - m_runMin));
- if (ws) {
- m_previewPlotData = ws;
- m_uiForm.ppPlot->addSpectrum("Fit", ws, 1, Qt::red);
- m_uiForm.ppPlot->addSpectrum("Diff", ws, 2, Qt::blue);
- if (m_uiForm.ckPlotGuess->isChecked()) {
- m_uiForm.ppPlot->removeSpectrum("Guess");
- m_uiForm.ckPlotGuess->setChecked(false);
- }
+ const auto baseGroupName = m_baseName.toStdString() + "_Workspaces";
+ const auto singleGroupName =
+ m_singleFitOutputName.toStdString() + "_Workspaces";
+
+ if (AnalysisDataService::Instance().doesExist(baseGroupName)) {
+ plotOutput(baseGroupName, specNo);
+ } else if (AnalysisDataService::Instance().doesExist(singleGroupName)) {
+ plotOutput(singleGroupName, specNo);
+ }
+}
+
+/*
+ * Plots the specified spectrum of the output group workspace witht the
+ *specified name;
+ * created from Convolution Fitting.
+ *
+ * @param outputWsName The name of the output workspace whose data to plot.
+ * @param specNo The spectrum number to plot from the output workspace.
+ */
+void ConvFit::plotOutput(std::string const &outputWsName, int specNo) {
+ WorkspaceGroup_sptr outputGroup =
+ AnalysisDataService::Instance().retrieveWS<WorkspaceGroup>(outputWsName);
+ if (specNo - m_runMin >= static_cast<int>(outputGroup->size()))
+ return;
+ if ((specNo - m_runMin) >= 0) {
+ MatrixWorkspace_sptr ws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ outputGroup->getItem(specNo - m_runMin));
+ if (ws) {
+ m_previewPlotData = ws;
+ m_uiForm.ppPlot->addSpectrum("Fit", ws, 1, Qt::red);
+ m_uiForm.ppPlot->addSpectrum("Diff", ws, 2, Qt::blue);
+ if (m_uiForm.ckPlotGuess->isChecked()) {
+ m_uiForm.ppPlot->removeSpectrum("Guess");
+ m_uiForm.ckPlotGuess->setChecked(false);
}
}
}
}
+void ConvFit::updateParameters(int specNo) {
+ // Check parameter table workspace has been created
+ if (!m_paramWs)
+ return;
+
+ size_t row = boost::numeric_cast<size_t>(specNo - m_runMin);
+
+ std::vector<std::string> columnNames = m_paramWs->getColumnNames();
+ QMap<QString, double> parameters;
+
+ for (size_t column = 0; column < columnNames.size(); ++column) {
+ double value = m_paramWs->Double(row, column);
+ parameters.insert(QString::fromStdString(columnNames[column]), value);
+ }
+
+ QString functionName = m_uiForm.cbFitType->currentText();
+
+ QStringList params = getFunctionParameters(functionName);
+ params.reserve(static_cast<int>(parameters.size()));
+
+ // Populate Tree widget with values
+ // Background should always be f0
+ m_dblManager->setValue(m_properties["BGA0"], parameters["f0.A0"]);
+ m_dblManager->setValue(m_properties["BGA1"], parameters["f0.A1"]);
+
+ const int fitTypeIndex = m_uiForm.cbFitType->currentIndex();
+
+ int funcIndex = 0;
+ int subIndex = 0;
+
+ // check if we're using a temperature correction
+ if (m_uiForm.ckTempCorrection->isChecked() &&
+ !m_uiForm.leTempCorrection->text().isEmpty()) {
+ subIndex++;
+ }
+
+ const bool usingDeltaFunc = m_blnManager->value(m_properties["UseDeltaFunc"]);
+
+ // If using a delta function with any fit type or using two Lorentzians
+ const bool usingCompositeFunc =
+ ((usingDeltaFunc && m_fittedIndex > 0) || m_fittedIndex == 2);
+
+ const QString prefBase = "f1.f1.";
+
+ if (usingDeltaFunc) {
+ QString key = prefBase;
+ if (usingCompositeFunc) {
+ key += "f0.";
+ }
+
+ m_dblManager->setValue(m_properties["DeltaHeight"],
+ parameters[key + "Height"]);
+ m_dblManager->setValue(m_properties["DeltaCentre"],
+ parameters[key + "Centre"]);
+ funcIndex++;
+ }
+
+ QString pref = prefBase;
+
+ if (usingCompositeFunc) {
+ pref += "f" + QString::number(funcIndex) + ".f" +
+ QString::number(subIndex) + ".";
+ } else {
+ pref += "f" + QString::number(subIndex) + ".";
+ }
+
+ if (fitTypeIndex == 2 && m_fittedIndex == 2) {
+ functionName = "Lorentzian 1";
+ updateParameters(functionName, pref, params, parameters, 0, 3);
+
+ funcIndex++;
+ pref = prefBase;
+ pref += "f" + QString::number(funcIndex) + ".f" +
+ QString::number(subIndex) + ".";
+
+ functionName = "Lorentzian 2";
+ updateParameters(functionName, pref, params, parameters, 3, 0);
+ } else {
+
+ if (fitTypeIndex == 2 && m_fittedIndex == 1) {
+ functionName = "Lorentzian 1";
+ }
+
+ updateParameters(functionName, pref, params, parameters);
+ }
+}
+
+/*
+ * Updates the values of the function parameters for the function with the
+ *specified name,
+ * in the parameters table.
+ *
+ * @param functionName The name of the function whose parameters to update in
+ *the parameters
+ * table.
+ *
+ * @param prefix The prefixes of the names of the parameters, to be used
+ *to find the
+ * correct parameter in the specified parameter values map.
+ * @param paramNames The names of the function parameters to update.
+ * @param paramValues The updated parameter values stored in a map from the
+ *name of the
+ * function parameter (preceded by prefix) to the updated
+ *value of that
+ * parameter.
+ * @param startOffset The start offset, if set to N, the first N parameters
+ *won't be updated.
+ * @param endOffset The end offset, if set to N, the last N parameters won't
+ *be updated.
+ */
+void ConvFit::updateParameters(const QString &functionName,
+ const QString &prefix,
+ const QStringList ¶mNames,
+ const QMap<QString, double> ¶mValues,
+ int startOffset, int endOffset) {
+
+ for (auto it = paramNames.begin() + startOffset;
+ it != paramNames.end() - endOffset; ++it) {
+ const QString functionParam = functionName + "." + *it;
+ const QString paramValue = prefix + *it;
+ double value = paramValues[paramValue];
+ m_dblManager->setValue(m_properties[functionParam], value);
+ }
+}
+
/**
* Updates the guess for the plot
*/
@@ -1269,12 +1428,15 @@ void ConvFit::singleFit() {
SLOT(singleFit(bool)));
// ensure algorithm was successful
m_uiForm.ckPlotGuess->setChecked(false);
- std::string specNo = m_uiForm.spPlotSpectrum->text().toStdString();
+ int specNo = m_uiForm.spPlotSpectrum->value();
+ m_runMin = specNo;
+ m_runMax = specNo;
+ std::string specNoStr = m_uiForm.spPlotSpectrum->text().toStdString();
- m_singleFitAlg = sequentialFit(specNo, specNo, m_singleFitOutputName);
+ auto cfs = sequentialFit(specNoStr, specNoStr, m_singleFitOutputName);
// Connection to singleFitComplete SLOT (post algorithm completion)
- m_batchAlgoRunner->addAlgorithm(m_singleFitAlg);
+ m_batchAlgoRunner->addAlgorithm(cfs);
connect(m_batchAlgoRunner, SIGNAL(batchComplete(bool)), this,
SLOT(singleFitComplete(bool)));
m_batchAlgoRunner->executeBatchAsync();
@@ -1292,6 +1454,16 @@ void ConvFit::singleFitComplete(bool error) {
algorithmComplete(error, m_singleFitOutputName);
}
+void ConvFit::plotSpecChanged(int value) {
+ updatePlot();
+
+ if (value < m_runMin || value > m_runMax) {
+ fitFunctionSelected(m_uiForm.cbFitType->currentText());
+ } else {
+ updateParameters(value);
+ }
+}
+
/**
* Handles the user entering a new minimum spectrum index.
*
@@ -1601,19 +1773,26 @@ void ConvFit::fitFunctionSelected(const QString &functionName) {
m_defaultParams["FWHM"] = res;
m_defaultParams["default_FWHM"] = res;
}
+
// If the previous fit was One Lorentzian and the new fit is Two Lorentzian
// preserve the values of One Lorentzian Fit
const QString currentFitFunction = m_uiForm.cbFitType->currentText();
- if (m_previousFit.compare("One Lorentzian") == 0 &&
- currentFitFunction.compare("Two Lorentzians") == 0) {
- const double amplitude =
- m_dblManager->value(m_properties["Lorentzian 1.Amplitude"]);
- const double peakCentre =
- m_dblManager->value(m_properties["Lorentzian 1.PeakCentre"]);
- const double fwhm = m_dblManager->value(m_properties["Lorentzian 1.FWHM"]);
- m_defaultParams.insert("PeakCentre", peakCentre);
- m_defaultParams.insert("FWHM", fwhm);
- m_defaultParams.insert("Amplitude", amplitude);
+ if (currentFitFunction.compare("Two Lorentzians") == 0) {
+ m_uiForm.ckTieCentres->setChecked(true);
+
+ if (m_previousFit.compare("One Lorentzian") == 0) {
+ const double amplitude =
+ m_dblManager->value(m_properties["One Lorentzian.Amplitude"]);
+ const double peakCentre =
+ m_dblManager->value(m_properties["One Lorentzian.PeakCentre"]);
+ const double fwhm =
+ m_dblManager->value(m_properties["One Lorentzian.FWHM"]);
+ m_defaultParams.insert("PeakCentre", peakCentre);
+ m_defaultParams.insert("FWHM", fwhm);
+ m_defaultParams.insert("Amplitude", amplitude);
+ }
+ } else {
+ m_uiForm.ckTieCentres->setChecked(false);
}
// Remove previous parameters from tree
@@ -1621,7 +1800,6 @@ void ConvFit::fitFunctionSelected(const QString &functionName) {
m_cfTree->removeProperty(m_properties["FitFunction2"]);
m_uiForm.ckPlotGuess->setChecked(false);
- m_uiForm.ckTieCentres->setChecked(false);
updatePlotOptions();
@@ -1690,17 +1868,18 @@ void ConvFit::updatePlotOptions() {
plotOptions << "Height";
}
- QStringList params;
-
- if (fitFunctionType != 2) {
- params = getFunctionParameters(m_uiForm.cbFitType->currentText());
- } else {
- params = getFunctionParameters(QString("One Lorentzian"));
- }
- if (fitFunctionType < 3 && fitFunctionType != 0) {
- params.removeAll("PeakCentre");
- }
if (fitFunctionType != 0) {
+ QStringList params;
+
+ if (fitFunctionType != 2) {
+ params = getFunctionParameters(m_uiForm.cbFitType->currentText());
+ } else {
+ params = getFunctionParameters(QString("One Lorentzian"));
+ }
+ if (fitFunctionType < 3) {
+ params.removeAll("PeakCentre");
+ }
+
plotOptions.append(params);
}
diff --git a/qt/scientific_interfaces/Indirect/ConvFit.h b/qt/scientific_interfaces/Indirect/ConvFit.h
index 57bf31a68ac91b4738ffb20da0dba594d4f56b67..95d798c89dce57fe8e010a17c6ccfe608e4e2489 100644
--- a/qt/scientific_interfaces/Indirect/ConvFit.h
+++ b/qt/scientific_interfaces/Indirect/ConvFit.h
@@ -29,6 +29,7 @@ private slots:
void updatePlot();
void plotGuess();
void singleFit();
+ void plotSpecChanged(int value);
void specMinChanged(int value);
void specMaxChanged(int value);
void minChanged(double);
@@ -63,7 +64,13 @@ private:
QString backgroundString() const;
QString minimizerString(QString outputName) const;
QStringList getFunctionParameters(QString);
+ void updateParameters(int specNo);
+ void updateParameters(const QString &functionName, const QString &prefix,
+ const QStringList ¶mNames,
+ const QMap<QString, double> ¶mValues,
+ int startOffset = 0, int endOffset = 0);
void updatePlotOptions();
+ void plotOutput(std::string const &outputWs, int specNo);
void addParametersToTree(const QStringList ¶meters,
const QString ¤tFitFunction);
void addSampleLogsToWorkspace(const std::string &workspaceName,
@@ -85,9 +92,10 @@ private:
// Pointer to sample workspace object
Mantid::API::MatrixWorkspace_sptr m_cfInputWS;
Mantid::API::MatrixWorkspace_sptr m_previewPlotData;
+ Mantid::API::ITableWorkspace_sptr m_paramWs;
QString m_cfInputWSName;
+ int m_fittedIndex;
bool m_confitResFileType;
- Mantid::API::IAlgorithm_sptr m_singleFitAlg;
QString m_singleFitOutputName;
QString m_previousFit;
QString m_baseName;
diff --git a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
index d39eca06841f4c33c0975f643a2328e06e09ed71..a4c3dd079b7cc943ddde2430006ed178570978de 100644
--- a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
+++ b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.cpp
@@ -444,8 +444,8 @@ void IndirectDiffractionReduction::runOSIRISdiffonlyReduction() {
osirisDiffReduction->setProperty("DetectDRange", !manualDRange);
if (manualDRange)
- osirisDiffReduction->setProperty(
- "DRange", static_cast<long>(m_uiForm.spDRange->value()));
+ osirisDiffReduction->setProperty("DRange",
+ m_uiForm.spDRange->text().toStdString());
if (m_uiForm.ckUseCan->isChecked()) {
osirisDiffReduction->setProperty(
@@ -592,12 +592,22 @@ void IndirectDiffractionReduction::instrumentSelected(
// Disable sum files
m_uiForm.ckSumFiles->setToolTip("OSIRIS cannot sum files in diffonly mode");
+ m_uiForm.ckManualDRange->setToolTip(
+ "D-Ranges corresponding to numeric values can be found in the"
+ " OSIRIS user guide: "
+ "https://www.isis.stfc.ac.uk/Pages/osiris-user-guide.pdf");
+ m_uiForm.spDRange->setToolTip(
+ "D-Ranges corresponding to numeric values can be found in the"
+ " OSIRIS user guide: "
+ "https://www.isis.stfc.ac.uk/Pages/osiris-user-guide.pdf");
m_uiForm.ckSumFiles->setEnabled(false);
m_uiForm.ckSumFiles->setChecked(false);
} else {
// Re-enable sum files
m_uiForm.ckSumFiles->setToolTip("");
+ m_uiForm.ckManualDRange->setToolTip("");
+ m_uiForm.spDRange->setToolTip("");
m_uiForm.ckSumFiles->setEnabled(true);
m_uiForm.ckSumFiles->setChecked(true);
diff --git a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
index 15ff62975257c115eb6a71890fda5969536d1eb1..378b8944681e82e44776ed1ec7d9836963f0fb11 100644
--- a/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
+++ b/qt/scientific_interfaces/Indirect/IndirectDiffractionReduction.ui
@@ -182,7 +182,7 @@
<item>
<widget class="QStackedWidget" name="swVanadium">
<property name="currentIndex">
- <number>1</number>
+ <number>0</number>
</property>
<widget class="QWidget" name="pageCalibration">
<layout class="QVBoxLayout" name="verticalLayout_3">
@@ -198,41 +198,6 @@
<property name="margin">
<number>6</number>
</property>
- <item row="4" column="0" colspan="2">
- <widget class="MantidQt::API::MWRunFiles" name="rfVanadiumFile" native="true">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="minimumSize">
- <size>
- <width>0</width>
- <height>22</height>
- </size>
- </property>
- <property name="label" stdset="0">
- <string>Vanadium Runs</string>
- </property>
- <property name="multipleFiles" stdset="0">
- <bool>true</bool>
- </property>
- <property name="instrumentOverride" stdset="0">
- <string>OSIRIS</string>
- </property>
- </widget>
- </item>
- <item row="5" column="1">
- <widget class="QSpinBox" name="spDRange">
- <property name="enabled">
- <bool>false</bool>
- </property>
- <property name="minimum">
- <number>1</number>
- </property>
- <property name="maximum">
- <number>11</number>
- </property>
- </widget>
- </item>
<item row="5" column="0">
<widget class="QCheckBox" name="ckManualDRange">
<property name="text">
@@ -264,6 +229,35 @@
</property>
</widget>
</item>
+ <item row="4" column="0" colspan="2">
+ <widget class="MantidQt::API::MWRunFiles" name="rfVanadiumFile" native="true">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>0</width>
+ <height>22</height>
+ </size>
+ </property>
+ <property name="label" stdset="0">
+ <string>Vanadium Runs</string>
+ </property>
+ <property name="multipleFiles" stdset="0">
+ <bool>true</bool>
+ </property>
+ <property name="instrumentOverride" stdset="0">
+ <string>OSIRIS</string>
+ </property>
+ </widget>
+ </item>
+ <item row="5" column="1">
+ <widget class="QLineEdit" name="spDRange">
+ <property name="enabled">
+ <bool>false</bool>
+ </property>
+ </widget>
+ </item>
</layout>
</widget>
</item>
@@ -745,7 +739,6 @@
<tabstop>leRebinWidth_CalibOnly</tabstop>
<tabstop>leRebinEnd_CalibOnly</tabstop>
<tabstop>ckManualDRange</tabstop>
- <tabstop>spDRange</tabstop>
<tabstop>ckIndividualGrouping</tabstop>
<tabstop>cbPlotType</tabstop>
<tabstop>ckGSS</tabstop>
@@ -757,22 +750,6 @@
</tabstops>
<resources/>
<connections>
- <connection>
- <sender>ckManualDRange</sender>
- <signal>toggled(bool)</signal>
- <receiver>spDRange</receiver>
- <slot>setEnabled(bool)</slot>
- <hints>
- <hint type="sourcelabel">
- <x>64</x>
- <y>245</y>
- </hint>
- <hint type="destinationlabel">
- <x>108</x>
- <y>245</y>
- </hint>
- </hints>
- </connection>
<connection>
<sender>ckUseCan</sender>
<signal>toggled(bool)</signal>
@@ -816,7 +793,7 @@
<y>316</y>
</hint>
<hint type="destinationlabel">
- <x>39</x>
+ <x>58</x>
<y>325</y>
</hint>
</hints>
@@ -848,10 +825,26 @@
<y>268</y>
</hint>
<hint type="destinationlabel">
- <x>249</x>
+ <x>268</x>
<y>287</y>
</hint>
</hints>
</connection>
+ <connection>
+ <sender>ckManualDRange</sender>
+ <signal>clicked(bool)</signal>
+ <receiver>spDRange</receiver>
+ <slot>setEnabled(bool)</slot>
+ <hints>
+ <hint type="sourcelabel">
+ <x>70</x>
+ <y>377</y>
+ </hint>
+ <hint type="destinationlabel">
+ <x>169</x>
+ <y>378</y>
+ </hint>
+ </hints>
+ </connection>
</connections>
</ui>
diff --git a/qt/scientific_interfaces/test/ReflDataProcessorPresenterTest.h b/qt/scientific_interfaces/test/ReflDataProcessorPresenterTest.h
index ed9543d921d701137e3be877f785a260bee402af..ff36d11f15d6db5c74d15a234cb7f67c189713e5 100644
--- a/qt/scientific_interfaces/test/ReflDataProcessorPresenterTest.h
+++ b/qt/scientific_interfaces/test/ReflDataProcessorPresenterTest.h
@@ -9,7 +9,7 @@
#include "MantidAPI/TableRow.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "../ISISReflectometry/ReflGenericDataProcessorPresenterFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
#include "MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -25,9 +25,8 @@ std::ostream &operator<<(std::ostream &os, QString const &str) {
class ReflDataProcessorPresenterTest : public CxxTest::TestSuite {
private:
- ITableWorkspace_sptr
- createWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ ITableWorkspace_sptr createWorkspace(const QString &wsName,
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws = WorkspaceFactory::Instance().createTable();
const int ncols = static_cast<int>(whitelist.size());
@@ -47,9 +46,8 @@ private:
return ws;
}
- ITableWorkspace_sptr
- createPrefilledWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ ITableWorkspace_sptr createPrefilledWorkspace(const QString &wsName,
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
const std::vector<std::string> group{"0", "0", "1", "1"};
const std::vector<std::string> run{"13460", "13462", "13469", "13470"};
@@ -70,7 +68,7 @@ private:
ITableWorkspace_sptr
createPrefilledMixedWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
const std::string group = "0";
const std::vector<std::string> run{"38415", "38417"};
@@ -91,7 +89,7 @@ private:
ITableWorkspace_sptr
createPrefilledMinimalWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
const std::string group = "0";
diff --git a/qt/scientific_interfaces/test/ReflMockObjects.h b/qt/scientific_interfaces/test/ReflMockObjects.h
index 0fa2c543610c33db78060c3c4ef39ae4edb0e890..6ea009b0d080ec8b587c709c0b4ef3f024e6e2ad 100644
--- a/qt/scientific_interfaces/test/ReflMockObjects.h
+++ b/qt/scientific_interfaces/test/ReflMockObjects.h
@@ -17,7 +17,7 @@
#include "../ISISReflectometry/IReflSettingsTabPresenter.h"
#include "../ISISReflectometry/IReflSettingsView.h"
#include "../ISISReflectometry/ReflSearchModel.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/Command.h"
#include <gmock/gmock.h>
using namespace MantidQt::CustomInterfaces;
@@ -31,19 +31,19 @@ class MockRunsTabView : public IReflRunsTabView {
public:
// Gmock requires parameters and return values of mocked methods to be
// copyable
- // We can't mock setTableCommands(std::vector<DataProcessorCommand_uptr>)
+ // We can't mock setTableCommands(std::vector<Command_uptr>)
// because
// of the vector of unique pointers
// I will mock a proxy method, setTableCommandsProxy, I just want to test that
// this method is invoked by the presenter's constructor
virtual void setTableCommands(
- std::vector<MantidQt::MantidWidgets::DataProcessorCommand_uptr>)
+ std::vector<MantidQt::MantidWidgets::DataProcessor::Command_uptr>)
override {
setTableCommandsProxy();
}
// The same happens for setRowCommands
virtual void setRowCommands(
- std::vector<MantidQt::MantidWidgets::DataProcessorCommand_uptr>)
+ std::vector<MantidQt::MantidWidgets::DataProcessor::Command_uptr>)
override {
setRowCommandsProxy();
}
diff --git a/qt/scientific_interfaces/test/ReflRunsTabPresenterTest.h b/qt/scientific_interfaces/test/ReflRunsTabPresenterTest.h
index 7e69f70b3dd54d18909ed13ade948fa1695e38c6..dcffdb3a25bf35b82b639d46a5de4c40cf9b3fef 100644
--- a/qt/scientific_interfaces/test/ReflRunsTabPresenterTest.h
+++ b/qt/scientific_interfaces/test/ReflRunsTabPresenterTest.h
@@ -7,7 +7,7 @@
#include "MantidKernel/ConfigService.h"
#include "../ISISReflectometry/ReflRunsTabPresenter.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
#include "MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h"
#include "ReflMockObjects.h"
diff --git a/qt/widgets/common/CMakeLists.txt b/qt/widgets/common/CMakeLists.txt
index e219199f9ce9ad6db0bd765231fa47b63bcf555b..0d2841470a66d1389c6767bf002c3d971558f06b 100644
--- a/qt/widgets/common/CMakeLists.txt
+++ b/qt/widgets/common/CMakeLists.txt
@@ -63,24 +63,24 @@
src/CatalogSelector.cpp
src/CheckboxHeader.cpp
src/ColorBarWidget.cpp
- src/DataProcessorUI/AbstractDataProcessorTreeModel.cpp
- src/DataProcessorUI/DataProcessorGenerateNotebook.cpp
- src/DataProcessorUI/DataProcessorOneLevelTreeManager.cpp
- src/DataProcessorUI/DataProcessorPostprocessingAlgorithm.cpp
- src/DataProcessorUI/DataProcessorPreprocessingAlgorithm.cpp
- src/DataProcessorUI/DataProcessorPreprocessMap.cpp
- src/DataProcessorUI/DataProcessorProcessingAlgorithm.cpp
- src/DataProcessorUI/DataProcessorProcessingAlgorithmBase.cpp
- src/DataProcessorUI/DataProcessorTwoLevelTreeManager.cpp
- src/DataProcessorUI/DataProcessorWhiteList.cpp
+ src/DataProcessorUI/AbstractTreeModel.cpp
+ src/DataProcessorUI/GenerateNotebook.cpp
+ src/DataProcessorUI/OneLevelTreeManager.cpp
+ src/DataProcessorUI/PostprocessingAlgorithm.cpp
+ src/DataProcessorUI/PreprocessingAlgorithm.cpp
+ src/DataProcessorUI/PreprocessMap.cpp
+ src/DataProcessorUI/ProcessingAlgorithm.cpp
+ src/DataProcessorUI/ProcessingAlgorithmBase.cpp
+ src/DataProcessorUI/TwoLevelTreeManager.cpp
+ src/DataProcessorUI/WhiteList.cpp
src/DataProcessorUI/GenericDataProcessorPresenter.cpp
- src/DataProcessorUI/ParseKeyValueString.cpp
- src/DataProcessorUI/ParseNumerics.cpp
- src/DataProcessorUI/QDataProcessorOneLevelTreeModel.cpp
- src/DataProcessorUI/QDataProcessorTwoLevelTreeModel.cpp
+ src/ParseKeyValueString.cpp
+ src/ParseNumerics.cpp
+ src/DataProcessorUI/QOneLevelTreeModel.cpp
+ src/DataProcessorUI/QTwoLevelTreeModel.cpp
src/DataProcessorUI/QDataProcessorWidget.cpp
src/DataProcessorUI/QtDataProcessorOptionsDialog.cpp
- src/DataProcessorUI/DataProcessorVectorString.cpp
+ src/DataProcessorUI/VectorString.cpp
src/DataSelector.cpp
src/DiagResults.cpp
src/DisplayCurveFit.cpp
@@ -183,14 +183,14 @@ set ( MOC_FILES
inc/MantidQtWidgets/Common/AlgorithmSelectorWidget.h
inc/MantidQtWidgets/Common/CheckboxHeader.h
inc/MantidQtWidgets/Common/ColorBarWidget.h
- inc/MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h
inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h
inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h
inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h
inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h
- inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h
- inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h
inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h
inc/MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h
inc/MantidQtWidgets/Common/DataProcessorUI/TreeData.h
@@ -302,49 +302,49 @@ set ( INC_FILES
inc/MantidQtWidgets/Common/WorkspaceIcons.h
inc/MantidQtWidgets/Common/AlgorithmHintStrategy.h
inc/MantidQtWidgets/Common/CatalogHelper.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/Command.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/CommandBase.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h
inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h
inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/TreeManager.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/VectorString.h
inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h
- inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/WhiteList.h
+ inc/MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h
inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterFactory.h
- inc/MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h
- inc/MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h
+ inc/MantidQtWidgets/Common/ParseKeyValueString.h
+ inc/MantidQtWidgets/Common/ParseNumerics.h
inc/MantidQtWidgets/Common/ErrorCurve.h
inc/MantidQtWidgets/Common/HintStrategy.h
inc/MantidQtWidgets/Common/IFunctionBrowser.h
@@ -440,20 +440,20 @@ set( TEST_FILES
SignalBlockerTest.h
AlgorithmHintStrategyTest.h
TrackedActionTest.h
- DataProcessorUI/DataProcessorCommandsTest.h
- DataProcessorUI/DataProcessorGenerateNotebookTest.h
- DataProcessorUI/DataProcessorOneLevelTreeManagerTest.h
- DataProcessorUI/DataProcessorPostprocessingAlgorithmTest.h
- DataProcessorUI/DataProcessorPreprocessingAlgorithmTest.h
- DataProcessorUI/DataProcessorPreprocessMapTest.h
- DataProcessorUI/DataProcessorProcessingAlgorithmBaseTest.h
- DataProcessorUI/DataProcessorProcessingAlgorithmTest.h
- DataProcessorUI/DataProcessorTwoLevelTreeManagerTest.h
- DataProcessorUI/DataProcessorWhiteListTest.h
+ DataProcessorUI/CommandsTest.h
+ DataProcessorUI/GenerateNotebookTest.h
+ DataProcessorUI/OneLevelTreeManagerTest.h
+ DataProcessorUI/PostprocessingAlgorithmTest.h
+ DataProcessorUI/PreprocessingAlgorithmTest.h
+ DataProcessorUI/PreprocessMapTest.h
+ DataProcessorUI/ProcessingAlgorithmBaseTest.h
+ DataProcessorUI/ProcessingAlgorithmTest.h
+ DataProcessorUI/TwoLevelTreeManagerTest.h
+ DataProcessorUI/WhiteListTest.h
DataProcessorUI/GenericDataProcessorPresenterTest.h
- DataProcessorUI/ParseKeyValueStringTest.h
- DataProcessorUI/QDataProcessorOneLevelTreeModelTest.h
- DataProcessorUI/QDataProcessorTwoLevelTreeModelTest.h
+ ParseKeyValueStringTest.h
+ DataProcessorUI/QOneLevelTreeModelTest.h
+ DataProcessorUI/QTwoLevelTreeModelTest.h
ProjectSaveModelTest.h
ProjectSavePresenterTest.h
WorkspacePresenter/ADSAdapterTest.h
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h
similarity index 86%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h
index 8745d8d0d2f84ea11c7651a760c59a4a751a1622..34609eb4536ac50f573e43902858aef5c827ab57 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h
@@ -2,15 +2,16 @@
#define MANTIDQTMANTIDWIDGETS_ABSTRACTDATAPROCESSORTREEMODEL_H_
#include "MantidAPI/ITableWorkspace_fwd.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include "MantidQtWidgets/Common/DllOption.h"
#include <QAbstractItemModel>
#include <QColor>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-/** AbstractDataProcessorTreeModel is a base class for several tree model
+/** AbstractTreeModel is a base class for several tree model
implementations for processing table data. Full function implementation is
provided for functions common to all data processing tree models, while
these subclasses are expected to provide implementation for the remaining
@@ -37,14 +38,14 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON AbstractDataProcessorTreeModel
+class EXPORT_OPT_MANTIDQT_COMMON AbstractTreeModel
: public QAbstractItemModel {
Q_OBJECT
public:
- AbstractDataProcessorTreeModel(
+ AbstractTreeModel(
Mantid::API::ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist);
- ~AbstractDataProcessorTreeModel() override;
+ const WhiteList &whitelist);
+ ~AbstractTreeModel() override;
// Functions to read data from the model
@@ -63,8 +64,9 @@ protected:
/// Collection of data for viewing.
Mantid::API::ITableWorkspace_sptr m_tWS;
/// Map of column indexes to names and viceversa
- DataProcessorWhiteList m_whitelist;
+ WhiteList m_whitelist;
};
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h
similarity index 77%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h
index ce6f8b14de8faab582a5a80b5485aa35912db8bf..1c16e57a002379d4646d6381ff583938ad7ed026 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h
@@ -1,14 +1,15 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDGROUPCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDGROUPCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorAppendGroupCommand
+namespace DataProcessor {
+/** @class AppendGroupCommand
-DataProcessorAppendGroupCommand defines the action "Insert Group"
+AppendGroupCommand defines the action "Insert Group"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -31,13 +32,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorAppendGroupCommand : public DataProcessorCommandBase {
+class AppendGroupCommand : public CommandBase {
public:
- DataProcessorAppendGroupCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorAppendGroupCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorAppendGroupCommand(){};
+ AppendGroupCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ AppendGroupCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~AppendGroupCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::AppendGroupFlag);
@@ -54,4 +55,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDGROUPCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h
similarity index 78%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h
index 93d2c85ef83d8087acb58ebddb0c83cbab73d06d..56f4cc6bb82f934c83441eef064c3c8241055000 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h
@@ -1,14 +1,15 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDROWCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDROWCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorAppendRowCommand
+namespace DataProcessor {
+/** @class AppendRowCommand
-DataProcessorAppendRowCommand defines the action "Insert Row After"
+AppendRowCommand defines the action "Insert Row After"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -31,13 +32,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorAppendRowCommand : public DataProcessorCommandBase {
+class AppendRowCommand : public CommandBase {
public:
- DataProcessorAppendRowCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorAppendRowCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorAppendRowCommand(){};
+ AppendRowCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ AppendRowCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~AppendRowCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::AppendRowFlag);
@@ -55,4 +56,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORAPPENDROWCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h
index 61e170169a5d72b5effad238f23672a0415ff62f..9ec0f7b0be8b716f2002383fefee4bb064607ab9 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORCLEARSELECTEDCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCLEARSELECTEDCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorClearSelectedCommand
+namespace DataProcessor {
+/** @class ClearSelectedCommand
-DataProcessorClearSelectedCommand defines the action "Clear Selected"
+ClearSelectedCommand defines the action "Clear Selected"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorClearSelectedCommand : public DataProcessorCommandBase {
+class ClearSelectedCommand : public CommandBase {
public:
- DataProcessorClearSelectedCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorClearSelectedCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorClearSelectedCommand(){};
+ ClearSelectedCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ ClearSelectedCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~ClearSelectedCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::ClearSelectedFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCLEARSELECTEDCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h
similarity index 79%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h
index c2bb26d1088c20299cac921d581231c9dd0ac0be..040aee5022f1bd2ff400095bac20bddfa2514a53 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOLLAPSEGROUPSCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOLLAPSEGROUPSCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorCollapseGroupsCommand
+namespace DataProcessor {
+/** @class CollapseGroupsCommand
-DataProcessorCollapseGroupsCommand defines the action "Collapse All Groups"
+CollapseGroupsCommand defines the action "Collapse All Groups"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,11 +31,11 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorCollapseGroupsCommand : public DataProcessorCommandBase {
+class CollapseGroupsCommand : public CommandBase {
public:
- DataProcessorCollapseGroupsCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter) {}
- virtual ~DataProcessorCollapseGroupsCommand() {}
+ CollapseGroupsCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter) {}
+ virtual ~CollapseGroupsCommand() {}
void execute() override {
m_presenter->notify(DataProcessorPresenter::CollapseAllGroupsFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOLLAPSEGROUPSCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/Command.h
similarity index 77%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/Command.h
index 57e04b04dfb8878ed5649b8d2e549166a22a29c1..95adee7c16ccd8c064504cea97f2334ce27e2499 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/Command.h
@@ -8,9 +8,10 @@
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorCommand
+namespace DataProcessor {
+/** @class Command
-DataProcessorCommand is an interface which defines the functions any data
+Command is an interface which defines the functions any data
processor action needs to support.
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
@@ -34,10 +35,10 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorCommand {
+class Command {
public:
- DataProcessorCommand() : m_child(){};
- virtual ~DataProcessorCommand(){};
+ Command() : m_child(){};
+ virtual ~Command(){};
virtual void execute() = 0;
virtual QString name() = 0;
@@ -47,10 +48,10 @@ public:
virtual QString shortcut() = 0;
virtual bool hasChild() final { return !m_child.empty(); };
virtual void
- setChild(std::vector<std::unique_ptr<DataProcessorCommand>> child) final {
+ setChild(std::vector<std::unique_ptr<Command>> child) final {
m_child = std::move(child);
}
- virtual std::vector<std::unique_ptr<DataProcessorCommand>> &getChild() final {
+ virtual std::vector<std::unique_ptr<Command>> &getChild() final {
return m_child;
}
virtual bool isSeparator() final {
@@ -58,11 +59,12 @@ public:
}
protected:
- std::vector<std::unique_ptr<DataProcessorCommand>> m_child;
+ std::vector<std::unique_ptr<Command>> m_child;
};
/// Typedef for a shared pointer to \c ReflSearchModel
-typedef std::unique_ptr<DataProcessorCommand> DataProcessorCommand_uptr;
+using Command_uptr = std::unique_ptr<Command>;
+}
}
}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CommandBase.h
similarity index 83%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CommandBase.h
index ce1c6e3319470ce8c67ec58a88cd5a562ca3942f..d549b8c22eab8cfc53b1ae45d553af01b1d9e09a 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CommandBase.h
@@ -1,12 +1,13 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDBASE_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDBASE_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/Command.h"
#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** @class ReflCommandBase
@@ -34,20 +35,21 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorCommandBase : public DataProcessorCommand {
+class CommandBase : public Command {
public:
- DataProcessorCommandBase(DataProcessorPresenter *tablePresenter)
+ CommandBase(DataProcessorPresenter *tablePresenter)
: m_presenter(tablePresenter) {
if (!tablePresenter) {
throw std::invalid_argument("Invalid abstract presenter");
}
};
- DataProcessorCommandBase(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget.getPresenter()) {}
+ CommandBase(const QDataProcessorWidget &widget)
+ : CommandBase(widget.getPresenter()) {}
protected:
DataProcessorPresenter *const m_presenter;
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDBASE_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h
index 15a08fb48902ad90dc250043e6191d3e9cccd491..5e706e42d92b9e1653f8476255ea378069b4b668 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOPYSELECTEDCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOPYSELECTEDCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorCopySelectedCommand
+namespace DataProcessor {
+/** @class CopySelectedCommand
-DataProcessorCopySelectedCommand defines the action "Copy Selected"
+CopySelectedCommand defines the action "Copy Selected"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorCopySelectedCommand : public DataProcessorCommandBase {
+class CopySelectedCommand : public CommandBase {
public:
- DataProcessorCopySelectedCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorCopySelectedCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorCopySelectedCommand(){};
+ CopySelectedCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ CopySelectedCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~CopySelectedCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::CopySelectedFlag);
@@ -53,4 +54,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOPYSELECTEDCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h
similarity index 76%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h
index 35701c98fc38ff893302dd4e01681b3ec5ce986c..e184764e929e509b2adefebb30964806a145bd40 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORCUTSELECTEDCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCUTSELECTEDCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorCutSelectedCommand
+namespace DataProcessor {
+/** @class CutSelectedCommand
-DataProcessorCutSelectedCommand defines the action "Cut Selected"
+CutSelectedCommand defines the action "Cut Selected"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorCutSelectedCommand : public DataProcessorCommandBase {
+class CutSelectedCommand : public CommandBase {
public:
- DataProcessorCutSelectedCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorCutSelectedCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorCutSelectedCommand(){};
+ CutSelectedCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ CutSelectedCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~CutSelectedCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::CutSelectedFlag);
@@ -53,4 +54,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCUTSELECTEDCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h
index 9d3dc40959598145b9ca592c2ccc10814c072e99..aa99ae99dc381f76db248bf3bb935710ad6b5335 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h
@@ -8,6 +8,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** @class DataProcessorMainPresenter
DataProcessorMainPresenter is an interface that defines the functions that
@@ -73,4 +74,5 @@ public:
};
}
}
+}
#endif /* MANTIDQTMANTIDWIDGETS_DATAPROCESSORMAINPRESENTER_H */
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h
index a9ef76ac1a4cb06b4721371c8e925c2ebafe3b89..d717911d43af081b9543ff5cc013789837d967d2 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h
@@ -12,11 +12,12 @@ using ChildItems = std::map<int, std::set<int>>;
namespace MantidQt {
namespace MantidWidgets {
+class ProgressableView;
+namespace DataProcessor {
// Forward decs
-class DataProcessorCommand;
+class Command;
class DataProcessorMainPresenter;
class DataProcessorView;
-class ProgressableView;
/** @class DataProcessorPresenter
@@ -84,7 +85,7 @@ public:
transfer(const std::vector<std::map<QString, QString>> &runs) = 0;
virtual void setInstrumentList(const QStringList &instruments,
const QString &defaultInstrument) = 0;
- virtual std::vector<std::unique_ptr<DataProcessorCommand>>
+ virtual std::vector<std::unique_ptr<Command>>
publishCommands() = 0;
virtual void accept(DataProcessorMainPresenter *mainPresenter) = 0;
virtual void acceptViews(DataProcessorView *tableView,
@@ -107,4 +108,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPRESENTER_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h
index 974f24b242f2eecb2f624dca1e77167cad646cc9..0e3287344cc2f5c4b47eaf016fbe2fe3b8243cb0 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h
@@ -3,19 +3,20 @@
#include "MantidKernel/System.h"
+#include <boost/shared_ptr.hpp>
#include <map>
#include <memory>
#include <set>
#include <string>
-#include <boost/shared_ptr.hpp>
-class AbstractDataProcessorTreeModel;
+class AbstractTreeModel;
namespace MantidQt {
namespace MantidWidgets {
-// Forward dec
class HintStrategy;
-class DataProcessorCommand;
+namespace DataProcessor {
+// Forward dec
+class Command;
class DataProcessorPresenter;
/** @class DataProcessorView
@@ -53,11 +54,10 @@ public:
// Add actions to the toolbar
virtual void
- addActions(std::vector<std::unique_ptr<DataProcessorCommand>> commands) = 0;
+ addActions(std::vector<std::unique_ptr<Command>> commands) = 0;
// Connect the model
- virtual void
- showTable(boost::shared_ptr<AbstractDataProcessorTreeModel> model) = 0;
+ virtual void showTable(boost::shared_ptr<AbstractTreeModel> model) = 0;
// Dialog/Prompt methods
virtual QString requestNotebookPath() = 0;
@@ -116,4 +116,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORVIEW_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h
index be1b728af6e19895214e1a4079beffe5e1fa6246..71224a98f6b8cc11063c391cf39f91e65d745b96 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h
@@ -1,14 +1,15 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEGROUPCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEGROUPCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-/** @class DataProcessorDeleteGroupCommand
+/** @class DeleteGroupCommand
-DataProcessorDeleteGroupCommand defines the action "Delete Group"
+DeleteGroupCommand defines the action "Delete Group"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -31,13 +32,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorDeleteGroupCommand : public DataProcessorCommandBase {
+class DeleteGroupCommand : public CommandBase {
public:
- DataProcessorDeleteGroupCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorDeleteGroupCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorDeleteGroupCommand(){};
+ DeleteGroupCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ DeleteGroupCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~DeleteGroupCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::DeleteGroupFlag);
@@ -52,4 +53,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEGROUPCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h
index 2b996833dca0c45f579b0fd2e98f183f928c91a9..58c5ed35785f0a63b8c606597a78807b45e62a36 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h
@@ -1,14 +1,15 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEROWCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEROWCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-/** @class DataProcessorDeleteRowCommand
+/** @class DeleteRowCommand
-DataProcessorDeleteRowCommand defines the action "Delete Row"
+DeleteRowCommand defines the action "Delete Row"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -31,13 +32,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorDeleteRowCommand : public DataProcessorCommandBase {
+class DeleteRowCommand : public CommandBase {
public:
- DataProcessorDeleteRowCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorDeleteRowCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorDeleteRowCommand(){};
+ DeleteRowCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ DeleteRowCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~DeleteRowCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::DeleteRowFlag);
@@ -50,4 +51,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORDELETEROWCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h
similarity index 77%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h
index 2ceb9b2d17339f31dc00c02866322eab0444e61c..d3c80d102aaa1cc93b768f12095041a46b443f0a 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorExpandCommand
+namespace DataProcessor {
+/** @class ExpandCommand
-DataProcessorExpandCommand defines the action "Expand Selection"
+ExpandCommand defines the action "Expand Selection"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorExpandCommand : public DataProcessorCommandBase {
+class ExpandCommand : public CommandBase {
public:
- DataProcessorExpandCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorExpandCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorExpandCommand(){};
+ ExpandCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ ExpandCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~ExpandCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::ExpandSelectionFlag);
@@ -54,4 +55,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h
similarity index 79%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h
index 0a0dd9fc2028c8f04393c8f9aff4a829d3ba54cf..9fb1d31523d6094b1ff06e6456d76798caf75791 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDGROUPSCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDGROUPSCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorExpandGroupsCommand
+namespace DataProcessor {
+/** @class ExpandGroupsCommand
-DataProcessorExpandGroupsCommand defines the action "Expand All Groups"
+ExpandGroupsCommand defines the action "Expand All Groups"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,11 +31,11 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorExpandGroupsCommand : public DataProcessorCommandBase {
+class ExpandGroupsCommand : public CommandBase {
public:
- DataProcessorExpandGroupsCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter) {}
- virtual ~DataProcessorExpandGroupsCommand() {}
+ ExpandGroupsCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter) {}
+ virtual ~ExpandGroupsCommand() {}
void execute() override {
m_presenter->notify(DataProcessorPresenter::ExpandAllGroupsFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPANDGROUPSCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h
index a91073afae51c0e8da214337b39430f03ddb8c7f..1970811b13c943f430814a41ffe34ab45494054c 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPORTTABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPORTTABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorExportTableCommand
+namespace DataProcessor {
+/** @class ExportTableCommand
-DataProcessorExportTableCommand defines the action "Export .TBL"
+ExportTableCommand defines the action "Export .TBL"
processor interface presenter needs to support.
@@ -32,13 +33,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorExportTableCommand : public DataProcessorCommandBase {
+class ExportTableCommand : public CommandBase {
public:
- DataProcessorExportTableCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorExportTableCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorExportTableCommand(){};
+ ExportTableCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ ExportTableCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~ExportTableCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::ExportTableFlag);
@@ -53,4 +54,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSOREXPORTTABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h
similarity index 69%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h
index 3377e71cad53900c3b701c0238004b6281409dcc..756dee975b5a7d2e10a69f4e32b114ec96c3f546 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h
@@ -1,7 +1,7 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORGENERATENOTEBOOK_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORGENERATENOTEBOOK_H
-/** @class DataProcessorGenerateNotebook
+/** @class GenerateNotebook
This class creates ipython notebooks from the ISIS DataProcessorUI
(Polref) interface
@@ -29,10 +29,10 @@
*/
#include "MantidKernel/System.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include "MantidQtWidgets/Common/DataProcessorUI/TreeData.h"
#include <boost/tuple/tuple.hpp>
@@ -44,47 +44,48 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
QStringList DLLExport splitByCommas(const QString &namesString);
QString DLLExport plot1DString(const QStringList &ws_names);
QString DLLExport
-tableString(const TreeData &treeData, const DataProcessorWhiteList &whitelist);
+tableString(const TreeData &treeData, const WhiteList &whitelist);
QString DLLExport titleString(const QString &wsName);
boost::tuple<QString, QString> DLLExport postprocessGroupString(
- const GroupData &rowMap, const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const GroupData &rowMap, const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const QString &postprocessingOptions);
QString DLLExport
plotsString(const QStringList &output_ws, const QString &stitched_wsStr,
- const DataProcessorProcessingAlgorithm &processor);
+ const ProcessingAlgorithm &processor);
QString DLLExport
getReducedWorkspaceName(const RowData &data,
- const DataProcessorWhiteList &whitelist,
+ const WhiteList &whitelist,
const QString &prefix = "");
boost::tuple<QString, QString> DLLExport reduceRowString(
const RowData &data, const QString &instrument,
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
const std::map<QString, QString> &preprocessOoptionsMap,
const QString &processingOptions);
boost::tuple<QString, QString> DLLExport
loadWorkspaceString(const QString &runStr, const QString &instrument,
- const DataProcessorPreprocessingAlgorithm &preprocessor,
+ const PreprocessingAlgorithm &preprocessor,
const QString &options);
QString DLLExport
plusString(const QString &input_name, const QString &output_name,
- const DataProcessorPreprocessingAlgorithm &preprocessor,
+ const PreprocessingAlgorithm &preprocessor,
const QString &options);
boost::tuple<QString, QString> DLLExport
@@ -94,20 +95,20 @@ loadRunString(const QString &run, const QString &instrument,
QString DLLExport
completeOutputProperties(const QString &algName, size_t currentProperties);
-class DLLExport DataProcessorGenerateNotebook {
+class DLLExport GenerateNotebook {
public:
- DataProcessorGenerateNotebook(
+ GenerateNotebook(
QString name, const QString instrument,
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &
preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> preprocessingInstructionsMap,
const QString processingInstructions,
const QString postprocessingInstructions);
- virtual ~DataProcessorGenerateNotebook(){};
+ virtual ~GenerateNotebook(){};
QString generateNotebook(const TreeData &data);
@@ -118,14 +119,14 @@ private:
const QString m_instrument;
// The whitelist defining the number of columns, their names and how they
// relate to the algorithm properties
- DataProcessorWhiteList m_whitelist;
+ WhiteList m_whitelist;
// The map indicating the columns that were pre-processed and their
// corresponding pre-processing algorithms
- std::map<QString, DataProcessorPreprocessingAlgorithm> m_preprocessMap;
+ std::map<QString, PreprocessingAlgorithm> m_preprocessMap;
// The processing (reduction) algorithm
- DataProcessorProcessingAlgorithm m_processor;
+ ProcessingAlgorithm m_processor;
// The post-processing algorithm
- DataProcessorPostprocessingAlgorithm m_postprocessor;
+ PostprocessingAlgorithm m_postprocessor;
// A map containing pre-processing instructions displayed in the view via
// hinting line edits
std::map<QString, QString> m_preprocessingOptionsMap;
@@ -137,5 +138,5 @@ private:
};
}
}
-
+}
#endif // MANTIDQTMANTIDWIDGETS_DATAPROCESSORGENERATENOTEBOOK_H
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h
index 3ca74da17feb6b0bc8549babba02c748c48dba48..db8165d9a7b5d44f003302fc121d4f8670272064 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h
@@ -4,16 +4,16 @@
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidQtWidgets/Common/WorkspaceObserver.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/Command.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h"
#include "MantidQtWidgets/Common/DataProcessorUI/TreeData.h"
#include "MantidQtWidgets/Common/ProgressPresenter.h"
@@ -26,10 +26,11 @@
namespace MantidQt {
namespace MantidWidgets {
-// Forward decs
class ProgressableView;
+namespace DataProcessor {
+// Forward decs
class DataProcessorView;
-class DataProcessorTreeManager;
+class TreeManager;
class GenericDataProcessorPresenterThread;
using RowItem = std::pair<int, RowData>;
@@ -75,42 +76,42 @@ class EXPORT_OPT_MANTIDQT_COMMON GenericDataProcessorPresenter
public:
// Constructor: pre-processing and post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &
preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> &postprocessMap =
std::map<QString, QString>(),
const QString &loader = "Load");
// Constructor: no pre-processing, post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor);
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor);
// Constructor: pre-processing, no post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &
preprocessMap,
- const DataProcessorProcessingAlgorithm &processor);
+ const ProcessingAlgorithm &processor);
// Constructor: no pre-processing, no post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor);
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor);
// Constructor: only whitelist
- GenericDataProcessorPresenter(const DataProcessorWhiteList &whitelist);
+ GenericDataProcessorPresenter(const WhiteList &whitelist);
// Delegating constructor: pre-processing, no post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorPreprocessMap &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor);
+ const WhiteList &whitelist,
+ const PreprocessMap &preprocessMap,
+ const ProcessingAlgorithm &processor);
// Delegating Constructor: pre-processing and post-processing
GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorPreprocessMap &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor);
+ const WhiteList &whitelist,
+ const PreprocessMap &preprocessMap,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor);
virtual ~GenericDataProcessorPresenter() override;
void notify(DataProcessorPresenter::Flag flag) override;
const std::map<QString, QVariant> &options() const override;
@@ -118,7 +119,7 @@ public:
void transfer(const std::vector<std::map<QString, QString>> &runs) override;
void setInstrumentList(const QStringList &instruments,
const QString &defaultInstrument) override;
- std::vector<std::unique_ptr<DataProcessorCommand>> publishCommands() override;
+ std::vector<std::unique_ptr<Command>> publishCommands() override;
void acceptViews(DataProcessorView *tableView,
ProgressableView *progressView) override;
void accept(DataProcessorMainPresenter *mainPresenter) override;
@@ -126,7 +127,7 @@ public:
// The following methods are public only for testing purposes
// Get the whitelist
- DataProcessorWhiteList getWhiteList() const { return m_whitelist; };
+ WhiteList getWhiteList() const { return m_whitelist; };
// Get the name of the reduced workspace for a given row
QString getReducedWorkspaceName(const QStringList &data,
const QString &prefix = "");
@@ -151,7 +152,7 @@ protected:
// A workspace receiver we want to notify
DataProcessorMainPresenter *m_mainPresenter;
// The tree manager, a proxy class to retrieve data from the model
- std::unique_ptr<DataProcessorTreeManager> m_manager;
+ std::unique_ptr<TreeManager> m_manager;
// Loader
QString m_loader;
// The list of selected items to reduce
@@ -190,13 +191,13 @@ private:
// the name of the workspace/table/model in the ADS, blank if unsaved
QString m_wsName;
// The whitelist
- DataProcessorWhiteList m_whitelist;
+ WhiteList m_whitelist;
// The pre-processing instructions
- std::map<QString, DataProcessorPreprocessingAlgorithm> m_preprocessMap;
+ std::map<QString, PreprocessingAlgorithm> m_preprocessMap;
// The data processor algorithm
- DataProcessorProcessingAlgorithm m_processor;
+ ProcessingAlgorithm m_processor;
// Post-processing algorithm
- DataProcessorPostprocessingAlgorithm m_postprocessor;
+ PostprocessingAlgorithm m_postprocessor;
// Post-processing map
std::map<QString, QString> m_postprocessMap;
// The current queue of groups to be reduced
@@ -236,7 +237,7 @@ private:
// prepare a run or list of runs for processing
Mantid::API::Workspace_sptr
prepareRunWorkspace(const QString &run,
- const DataProcessorPreprocessingAlgorithm &alg,
+ const PreprocessingAlgorithm &alg,
const std::map<std::string, std::string> &optionsMap);
// add row(s) to the model
void appendRow();
@@ -315,7 +316,7 @@ private:
void afterReplaceHandle(const std::string &name,
Mantid::API::Workspace_sptr workspace) override;
void saveNotebook(const TreeData &data);
- std::vector<std::unique_ptr<DataProcessorCommand>> getTableList();
+ std::vector<std::unique_ptr<Command>> getTableList();
// set/get values in the table
void setCell(int row, int column, int parentRow, int parentColumn,
@@ -327,4 +328,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_GENERICDATAPROCESSORPRESENTER_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterFactory.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterFactory.h
index d6680cd44c3d1345cd631950fafc225f1ec2ef8c..666ecd06b6ab200fe526ce8d27bff3c50843f783 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterFactory.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterFactory.h
@@ -5,6 +5,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** @class GenericDataProcessorPresenterFactory
@@ -46,4 +47,5 @@ public:
};
}
}
-#endif /*MANTIDQTMANTIDWIDGETS_GENERICDATAPROCESSORPRESENTERFACTORY_H*/
\ No newline at end of file
+}
+#endif /*MANTIDQTMANTIDWIDGETS_GENERICDATAPROCESSORPRESENTERFACTORY_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h
index c665bacc6bacf50c3c669807f173eb0dac21d533..fb8e0c132bb76efbc26eb23b9cf62ec3855bc3d0 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h
@@ -7,6 +7,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
Worker to run the reduction process for each group of the
@@ -69,8 +70,7 @@ private:
const GroupData m_groupData;
int m_groupIndex;
};
-
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace MantidQt
-
#endif // MANTIDQTMANTIDWIDGETS_GENERICDATAPROCESSORPRESENTER_GENERICDATAPROCESSORPRESENTERGROUPREDUCERWORKER_H
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h
index 2aae00fca52f71321065d7d2c14bd956e2b3d284..990d8e58b2eb8b4a9763f798ed1a157ff0f7c77e 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h
@@ -7,6 +7,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
Worker to run the reduction process for each row for the
@@ -69,6 +70,7 @@ private:
int m_groupIndex;
};
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace MantidQt
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h
index 9e1f2f8fb61ffcbd6f881fbfc0535fe74704aaf4..327047e173d7e37cb6f47008de2679a676caae00 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h
@@ -8,6 +8,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
GenericDataProcessorPresenterThread class to handle a single worker
@@ -68,6 +69,7 @@ private:
QObject *const m_worker;
};
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace MantidQt
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h
index bfc4612967dd22359d1ab241f2ee2c7b3706679d..fdc3b1387246f698b0dba71dfed715d8df659dfe 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORGROUPROWSCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORGROUPROWSCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorGroupRowsCommand
+namespace DataProcessor {
+/** @class GroupRowsCommand
-DataProcessorGroupRowsCommand defines the action "Group Selected"
+GroupRowsCommand defines the action "Group Selected"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorGroupRowsCommand : public DataProcessorCommandBase {
+class GroupRowsCommand : public CommandBase {
public:
- DataProcessorGroupRowsCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorGroupRowsCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorGroupRowsCommand(){};
+ GroupRowsCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ GroupRowsCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~GroupRowsCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::GroupRowsFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORGROUPROWSCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h
index b372cf29453484dee5a90a6636f2e20fa706a9fd..9df0170491f68758989a59acbb3e63ba3b81089d 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORIMPORTTABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORIMPORTTABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorImportTableCommand
+namespace DataProcessor {
+/** @class ImportTableCommand
-DataProcessorImportTableCommand defines the action "Import .TBL"
+ImportTableCommand defines the action "Import .TBL"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorImportTableCommand : public DataProcessorCommandBase {
+class ImportTableCommand : public CommandBase {
public:
- DataProcessorImportTableCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorImportTableCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorImportTableCommand(){};
+ ImportTableCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ ImportTableCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~ImportTableCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::ImportTableFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORIMPORTTABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/MockObjects.h
similarity index 93%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/MockObjects.h
index 8d7c13f34d39e3fb5772767f1f4192ac31853340..8ec04aa9962b179538ccd1d4ddcb922a0a8bef1a 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/MockObjects.h
@@ -3,13 +3,14 @@
#include "MantidKernel/WarningSuppressions.h"
#include "MantidKernel/make_unique.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h"
#include <gmock/gmock.h>
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
// Clean column ids for use within tests (they refer to the table workspace
// only)
@@ -73,14 +74,14 @@ public:
// Actions/commands
// Gmock requires parameters and return values of mocked methods to be
// copyable which means we have to mock addActions() via a proxy method
- void addActions(std::vector<DataProcessorCommand_uptr>) override {
+ void addActions(std::vector<Command_uptr>) override {
addActionsProxy();
}
MOCK_METHOD0(addActionsProxy, void());
// Calls we don't care about
void showTable(boost::shared_ptr<
- MantidQt::MantidWidgets::AbstractDataProcessorTreeModel>) override{};
+ MantidQt::MantidWidgets::DataProcessor::AbstractTreeModel>) override{};
void saveSettings(const std::map<QString, QVariant> &) override{};
void emitProcessClicked() override{};
@@ -151,11 +152,11 @@ private:
return m_options;
};
- std::vector<DataProcessorCommand_uptr> publishCommands() override {
- std::vector<DataProcessorCommand_uptr> commands;
+ std::vector<Command_uptr> publishCommands() override {
+ std::vector<Command_uptr> commands;
for (size_t i = 0; i < 31; i++)
commands.push_back(
- Mantid::Kernel::make_unique<DataProcessorAppendRowCommand>(this));
+ Mantid::Kernel::make_unique<AppendRowCommand>(this));
publishCommandsMocked();
return commands;
};
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h
index f72b64c5a85a4b0bc4cba5fb595790b646f4b600..102ad67ca2c4af0efaa51082afa6c490fc367ee2 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORNEWTABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORNEWTABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorNewTableCommand
+namespace DataProcessor {
+/** @class NewTableCommand
-DataProcessorNewTableCommand defines the action "New Table"
+NewTableCommand defines the action "New Table"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorNewTableCommand : public DataProcessorCommandBase {
+class NewTableCommand : public CommandBase {
public:
- DataProcessorNewTableCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorNewTableCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorNewTableCommand(){};
+ NewTableCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ NewTableCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~NewTableCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::NewTableFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORNEWTABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h
index e84e30307a2a09ebd0d5a6bbf32a735192abe38f..adb73996fb52ff77fd8ee8d224debb06a36a334d 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h
@@ -1,20 +1,21 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORONELEVELTREEMANAGER_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORONELEVELTREEMANAGER_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TreeManager.h"
#include "MantidQtWidgets/Common/DllOption.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
class DataProcessorPresenter;
-class DataProcessorWhiteList;
-class QDataProcessorOneLevelTreeModel;
+class WhiteList;
+class QOneLevelTreeModel;
-/** @class DataProcessorOneLevelTreeManager
+/** @class OneLevelTreeManager
-DataProcessorOneLevelTreeManager is a concrete implementation of a
-DataProcessorTreeManager that handles a one-level tree view (which corresponds
+OneLevelTreeManager is a concrete implementation of a
+TreeManager that handles a one-level tree view (which corresponds
to a DataProcessorUI with no post-processing algorithm defined).
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
@@ -38,21 +39,21 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorOneLevelTreeManager
- : public DataProcessorTreeManager {
+class EXPORT_OPT_MANTIDQT_COMMON OneLevelTreeManager
+ : public TreeManager {
public:
/// Constructor
- DataProcessorOneLevelTreeManager(DataProcessorPresenter *presenter,
+ OneLevelTreeManager(DataProcessorPresenter *presenter,
Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist);
+ const WhiteList &whitelist);
/// Constructor (no table ws given)
- DataProcessorOneLevelTreeManager(DataProcessorPresenter *presenter,
- const DataProcessorWhiteList &whitelist);
+ OneLevelTreeManager(DataProcessorPresenter *presenter,
+ const WhiteList &whitelist);
/// Destructor
- ~DataProcessorOneLevelTreeManager() override;
+ ~OneLevelTreeManager() override;
/// Publish commands
- std::vector<std::unique_ptr<DataProcessorCommand>> publishCommands() override;
+ std::vector<std::unique_ptr<Command>> publishCommands() override;
/// Append a row
void appendRow() override;
/// Append a group to the model
@@ -72,16 +73,16 @@ public:
/// Paste selected
void pasteSelected(const QString &text) override;
/// Blank table
- void newTable(const DataProcessorWhiteList &whitelist) override;
+ void newTable(const WhiteList &whitelist) override;
/// New table
void newTable(Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist) override;
+ const WhiteList &whitelist) override;
/// Return selected data
TreeData selectedData(bool prompt) override;
/// Transfer new data to model
void transfer(const std::vector<std::map<QString, QString>> &runs,
- const DataProcessorWhiteList &whitelist) override;
+ const WhiteList &whitelist) override;
/// Update row with new data
void update(int parent, int child, const QStringList &data) override;
/// Get the number of rows of a given parent
@@ -104,7 +105,7 @@ public:
size_t whitelistColumns) const override;
/// Return the model
- boost::shared_ptr<AbstractDataProcessorTreeModel> getModel() override;
+ boost::shared_ptr<AbstractTreeModel> getModel() override;
/// Return the table workspace
Mantid::API::ITableWorkspace_sptr getTableWorkspace() override;
@@ -112,17 +113,18 @@ private:
/// The DataProcessor presenter
DataProcessorPresenter *m_presenter;
/// The model
- boost::shared_ptr<QDataProcessorOneLevelTreeModel> m_model;
+ boost::shared_ptr<QOneLevelTreeModel> m_model;
/// Insert a row in the model
void insertRow(int rowIndex);
/// Create a default table workspace
Mantid::API::ITableWorkspace_sptr
- createDefaultWorkspace(const DataProcessorWhiteList &whitelist);
+ createDefaultWorkspace(const WhiteList &whitelist);
/// Validate a table workspace
void validateModel(Mantid::API::ITableWorkspace_sptr ws,
size_t whitelistColumns) const;
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORONELEVELTREEMANAGER_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h
similarity index 76%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h
index ba80fb512f45497ee847cf59ea55a1319003556f..2113f3cc57314529b8006d200f7493acc28d72b9 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPENTABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPENTABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorOpenTableCommand
+namespace DataProcessor {
+/** @class OpenTableCommand
-DataProcessorOpenTableCommand defines the action "Open Table"
+OpenTableCommand defines the action "Open Table"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorOpenTableCommand : public DataProcessorCommandBase {
+class OpenTableCommand : public CommandBase {
public:
- DataProcessorOpenTableCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorOpenTableCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorOpenTableCommand(){};
+ OpenTableCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ OpenTableCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~OpenTableCommand(){};
void execute() override{
// This action should do nothing
@@ -53,4 +54,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPENTABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h
index 3b15694276bec3dd843c7bf59f5f64882d02bb26..63507e4bc1989776ad246c4cf1e70b10988123d2 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPTIONSTABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPTIONSTABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorOptionsCommand
+namespace DataProcessor {
+/** @class OptionsCommand
-DataProcessorOptionsCommand defines the action "Import .TBL"
+OptionsCommand defines the action "Import .TBL"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorOptionsCommand : public DataProcessorCommandBase {
+class OptionsCommand : public CommandBase {
public:
- DataProcessorOptionsCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorOptionsCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorOptionsCommand(){};
+ OptionsCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ OptionsCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~OptionsCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::OptionsDialogFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSOROPTIONSTABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h
index 41cf2ce52f087e22560e9b1c5b624bb52b5f3078..b1ba98efe6695ceca32df6316c939015546250be 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPASTESELECTEDCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPASTESELECTEDCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPasteSelectedCommand
+namespace DataProcessor {
+/** @class PasteSelectedCommand
-DataProcessorPasteSelectedCommand defines the action "Paste Selected"
+PasteSelectedCommand defines the action "Paste Selected"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorPasteSelectedCommand : public DataProcessorCommandBase {
+class PasteSelectedCommand : public CommandBase {
public:
- DataProcessorPasteSelectedCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorPasteSelectedCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorPasteSelectedCommand(){};
+ PasteSelectedCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ PasteSelectedCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~PasteSelectedCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::PasteSelectedFlag);
@@ -53,4 +54,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPASTESELECTEDCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h
similarity index 80%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h
index 95b46437be7cbfc76b9b005378461df8614efe2d..09f36210dccace09ba9de91973730f99d0f72eb6 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPAUSECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPAUSECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPauseCommand
+namespace DataProcessor {
+/** @class PauseCommand
-DataProcessorProcessCommand defines the action "Pause"
+ProcessCommand defines the action "Pause"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,11 +31,11 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorPauseCommand : public DataProcessorCommandBase {
+class PauseCommand : public CommandBase {
public:
- DataProcessorPauseCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- virtual ~DataProcessorPauseCommand(){};
+ PauseCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ virtual ~PauseCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::PauseFlag);
@@ -50,4 +51,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPAUSECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h
index 436eeff06fd88b8500439ed2ce87cbf7d7372a4e..53d68f18758e633c5017a84b561b0f45be1f4738 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTGROUPCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTGROUPCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPlotGroupCommand
+namespace DataProcessor {
+/** @class PlotGroupCommand
-DataProcessorPlotGroupCommand defines the action "Plot Selected Groups"
+PlotGroupCommand defines the action "Plot Selected Groups"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorPlotGroupCommand : public DataProcessorCommandBase {
+class PlotGroupCommand : public CommandBase {
public:
- DataProcessorPlotGroupCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorPlotGroupCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorPlotGroupCommand(){};
+ PlotGroupCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ PlotGroupCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~PlotGroupCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::PlotGroupFlag);
@@ -52,4 +53,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTGROUPCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h
index 6d2cb51cf45c074a79dd28437afa6328f3efb9d9..74b3177424eac62ab7ca60d4c783c84a9b7b926c 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTROWCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTROWCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPlotRowCommand
+namespace DataProcessor {
+/** @class PlotRowCommand
-DataProcessorPlotRowCommand defines the action "Plot Selected Rows"
+PlotRowCommand defines the action "Plot Selected Rows"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorPlotRowCommand : public DataProcessorCommandBase {
+class PlotRowCommand : public CommandBase {
public:
- DataProcessorPlotRowCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorPlotRowCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorPlotRowCommand(){};
+ PlotRowCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ PlotRowCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~PlotRowCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::PlotRowFlag);
@@ -52,4 +53,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPLOTROWCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h
similarity index 85%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h
index 8d94e69326d2781353659093f0fcb4deff584d41..5df137d7670167e59c55e072758be350cd70a9ec 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h
@@ -2,12 +2,13 @@
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPOSTPROCESSINGALGORITHM_H
#include "MantidQtWidgets/Common/DllOption.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h"
#include <QString>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** @class DataPostprocessorAlgorithm
DataPostprocessorAlgorithm defines a post-processor algorithm responsible for
@@ -34,21 +35,21 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorPostprocessingAlgorithm
- : public DataProcessorProcessingAlgorithmBase {
+class EXPORT_OPT_MANTIDQT_COMMON PostprocessingAlgorithm
+ : public ProcessingAlgorithmBase {
public:
// Constructor
- DataProcessorPostprocessingAlgorithm(
+ PostprocessingAlgorithm(
const QString &name, const QString &prefix = "",
const std::set<QString> &blacklist = std::set<QString>());
// Delegating constructor
- DataProcessorPostprocessingAlgorithm(const QString &name,
+ PostprocessingAlgorithm(const QString &name,
const QString &prefix,
const QString &blacklist);
// Default constructor
- DataProcessorPostprocessingAlgorithm();
+ PostprocessingAlgorithm();
// Destructor
- virtual ~DataProcessorPostprocessingAlgorithm();
+ virtual ~PostprocessingAlgorithm();
// The name of the input workspace property
QString inputProperty() const;
// The name of the output workspace property
@@ -68,4 +69,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPOSTPROCESSINGALGORITHM_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h
similarity index 78%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h
index b5149f64a1dfe6630629b8d8a11e0c6f6b6ae3f2..dc489e5171cf1e362e7c72c125c456476b5cc40f 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h
@@ -2,16 +2,17 @@
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPREPROCESSMAP_H
#include "MantidQtWidgets/Common/DllOption.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
#include <map>
#include <QString>
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPreprocessMap
+namespace DataProcessor {
+/** @class PreprocessMap
-DataProcessorPreprocessMap defines a pre-processor algorithm that will
+PreprocessMap defines a pre-processor algorithm that will
be
responsible for pre-processsing a specific column in a Data Processor UI.
@@ -36,22 +37,23 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorPreprocessMap {
+class EXPORT_OPT_MANTIDQT_COMMON PreprocessMap {
public:
// Default constructor
- DataProcessorPreprocessMap();
+ PreprocessMap();
// Destructor
- virtual ~DataProcessorPreprocessMap();
+ virtual ~PreprocessMap();
// Add a column to pre-process
void addElement(const QString &column, const QString &algorithm,
const QString &prefix = "", const QString &blacklist = "");
// Returns a map where keys are columns and values pre-processing algorithms
- std::map<QString, DataProcessorPreprocessingAlgorithm> asMap() const;
+ std::map<QString, PreprocessingAlgorithm> asMap() const;
private:
// A map where keys are columns and values pre-processing algorithms
- std::map<QString, DataProcessorPreprocessingAlgorithm> m_map;
+ std::map<QString, PreprocessingAlgorithm> m_map;
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPREPROCESSMAP_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h
similarity index 80%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h
index 9248c33f882f67836fcfae081138346c5c2041f8..c7f833fe2a6283ddb204ae3136ff794eaca52c64 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h
@@ -1,15 +1,16 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPREPROCESSINGALGORITHM_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPREPROCESSINGALGORITHM_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h"
#include "MantidQtWidgets/Common/DllOption.h"
#include <QString>
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorPreprocessingAlgorithm
+namespace DataProcessor {
+/** @class PreprocessingAlgorithm
-DataProcessorPreprocessingAlgorithm defines a pre-processor algorithm that will
+PreprocessingAlgorithm defines a pre-processor algorithm that will
be
responsible for pre-processsing a specific column in a Data Processor UI.
@@ -34,21 +35,21 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorPreprocessingAlgorithm
- : public DataProcessorProcessingAlgorithmBase {
+class EXPORT_OPT_MANTIDQT_COMMON PreprocessingAlgorithm
+ : public ProcessingAlgorithmBase {
public:
// Constructor
- DataProcessorPreprocessingAlgorithm(
+ PreprocessingAlgorithm(
const QString &name, const QString &prefix = "",
const std::set<QString> &blacklist = std::set<QString>());
// Delegating constructor
- DataProcessorPreprocessingAlgorithm(const QString &name,
+ PreprocessingAlgorithm(const QString &name,
const QString &prefix,
const QString &blacklist);
// Default constructor
- DataProcessorPreprocessingAlgorithm();
+ PreprocessingAlgorithm();
// Destructor
- virtual ~DataProcessorPreprocessingAlgorithm();
+ virtual ~PreprocessingAlgorithm();
// The name of the lhs input property
QString lhsProperty() const;
@@ -71,4 +72,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPREPROCESSINGALGORITHM_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h
similarity index 77%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h
index 074ee08f842cfdad75472d3038b4af3fc0428056..be6e30b8fb321cb771c9df1c651aac0da6757383 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h
@@ -1,13 +1,15 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORPROCESSCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPROCESSCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorProcessCommand
+namespace DataProcessor {
-DataProcessorProcessCommand defines the action "Process"
+/** @class ProcessCommand
+
+ProcessCommand defines the action "Process"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +32,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorProcessCommand : public DataProcessorCommandBase {
+class ProcessCommand : public CommandBase {
public:
- DataProcessorProcessCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorProcessCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorProcessCommand(){};
+ ProcessCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ ProcessCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~ProcessCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::ProcessFlag);
@@ -54,4 +56,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPROCESSCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h
similarity index 80%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h
index b6125538c50d264c76a914758169eb131535d00d..45be6e986d262e52b40c1b632900cc8783f2c87e 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h
@@ -2,15 +2,16 @@
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORPROCESSINGALGORITHM_H
#include "MantidQtWidgets/Common/DllOption.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h"
#include <QString>
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorProcessingAlgorithm
+namespace DataProcessor {
+/** @class ProcessingAlgorithm
-DataProcessorProcessingAlgorithm defines a processing algorithm that will
+ProcessingAlgorithm defines a processing algorithm that will
perform the
reduction in a Data ProcessorProcessing UI.
@@ -35,19 +36,19 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorProcessingAlgorithm
- : public DataProcessorProcessingAlgorithmBase {
+class EXPORT_OPT_MANTIDQT_COMMON ProcessingAlgorithm
+ : public ProcessingAlgorithmBase {
public:
- DataProcessorProcessingAlgorithm();
+ ProcessingAlgorithm();
// Constructor
- DataProcessorProcessingAlgorithm(
+ ProcessingAlgorithm(
const QString &name, const std::vector<QString> &prefix,
const std::set<QString> &blacklist = std::set<QString>());
// Delegating constructor
- DataProcessorProcessingAlgorithm(const QString &name, const QString &prefix,
+ ProcessingAlgorithm(const QString &name, const QString &prefix,
const QString &blacklist = "");
// Destructor
- virtual ~DataProcessorProcessingAlgorithm();
+ virtual ~ProcessingAlgorithm();
// The number of output properties
size_t numberOfOutputProperties() const;
// The prefix for this output property
@@ -67,4 +68,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORPROCESSINGALGORITHM_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h
similarity index 86%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h
index 93e9048d9f73fca62105400f99377208159c73d8..1447a66d020d5e4b0b2dad29ad7081a854efb9f5 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h
@@ -11,12 +11,13 @@
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorProcessingAlgorithmBase
+namespace DataProcessor {
+/** @class ProcessingAlgorithmBase
-DataProcessorProcessingAlgorithmBase defines shared code to be used by derived
+ProcessingAlgorithmBase defines shared code to be used by derived
classes
-(DataProcessorPreprocessingAlgorithm, DataProcessorProcessingAlgorithm and
-DataProcessorPostprocessingAlgorithm).
+(PreprocessingAlgorithm, ProcessingAlgorithm and
+PostprocessingAlgorithm).
Copyright © 2011-14 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -39,18 +40,18 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorProcessingAlgorithmBase {
+class EXPORT_OPT_MANTIDQT_COMMON ProcessingAlgorithmBase {
public:
// Default constructor
- DataProcessorProcessingAlgorithmBase();
+ ProcessingAlgorithmBase();
// Constructor
- DataProcessorProcessingAlgorithmBase(
+ ProcessingAlgorithmBase(
const QString &name,
const std::set<QString> &blacklist = std::set<QString>());
// Destructor
- ~DataProcessorProcessingAlgorithmBase();
+ ~ProcessingAlgorithmBase();
// Returns the input workspaces properties defined for this algorithm
virtual std::vector<QString> getInputWsProperties() final;
@@ -90,4 +91,5 @@ protected:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORALGORITHMBASE_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h
index f1c6bbe6b65c3e75b4abe3afe0ce0507ee77fb46..3c151f809af8b7874f1f1c0b51dcaa272559f144 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h
@@ -6,6 +6,7 @@
#include <gmock/gmock.h>
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
class MockProgressableView : public ProgressableView {
public:
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h
index 17df44ea293f45678a42f5caf70add1199d34641..31dc33a7f564136a0e501da49d429ba9c50a7ceb 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h
@@ -3,7 +3,7 @@
#include "MantidKernel/System.h"
#include "MantidQtWidgets/Common/MantidWidget.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h"
#include "MantidQtWidgets/Common/ProgressableView.h"
#include "MantidQtWidgets/Common/DllOption.h"
@@ -12,13 +12,14 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-class DataProcessorCommandAdapter;
+class QtCommandAdapter;
class DataProcessorMainPresenter;
-class DataProcessorPreprocessMap;
-class DataProcessorProcessingAlgorithm;
-class DataProcessorPostprocessingAlgorithm;
-class DataProcessorWhiteList;
+class PreprocessMap;
+class ProcessingAlgorithm;
+class PostprocessingAlgorithm;
+class WhiteList;
/** QDataProcessorWidget : Provides an interface for processing table
data.
@@ -53,32 +54,32 @@ class EXPORT_OPT_MANTIDQT_COMMON QDataProcessorWidget
public:
QDataProcessorWidget(std::unique_ptr<DataProcessorPresenter> presenter,
QWidget *parent = 0);
- QDataProcessorWidget(const DataProcessorWhiteList &, QWidget *parent);
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorProcessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &, QWidget *parent);
+ QDataProcessorWidget(const WhiteList &,
+ const ProcessingAlgorithm &,
QWidget *parent);
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorPreprocessMap &,
- const DataProcessorProcessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &,
+ const PreprocessMap &,
+ const ProcessingAlgorithm &,
QWidget *parent);
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorProcessingAlgorithm &,
- const DataProcessorPostprocessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &,
+ const ProcessingAlgorithm &,
+ const PostprocessingAlgorithm &,
QWidget *parent);
- QDataProcessorWidget(const DataProcessorWhiteList &,
- const DataProcessorPreprocessMap &,
- const DataProcessorProcessingAlgorithm &,
- const DataProcessorPostprocessingAlgorithm &,
+ QDataProcessorWidget(const WhiteList &,
+ const PreprocessMap &,
+ const ProcessingAlgorithm &,
+ const PostprocessingAlgorithm &,
QWidget *parent);
~QDataProcessorWidget() override;
// Add actions to the toolbar
void addActions(
- std::vector<std::unique_ptr<DataProcessorCommand>> commands) override;
+ std::vector<std::unique_ptr<Command>> commands) override;
// Connect the model
void
- showTable(boost::shared_ptr<AbstractDataProcessorTreeModel> model) override;
+ showTable(boost::shared_ptr<AbstractTreeModel> model) override;
// Dialog/Prompt methods
QString requestNotebookPath() override;
@@ -168,7 +169,7 @@ private:
// the presenter
std::unique_ptr<DataProcessorPresenter> m_presenter;
// the models
- boost::shared_ptr<AbstractDataProcessorTreeModel> m_model;
+ boost::shared_ptr<AbstractTreeModel> m_model;
// the interface
Ui::DataProcessorWidget ui;
// the workspace the user selected to open
@@ -177,7 +178,7 @@ private:
QMenu *m_contextMenu;
QSignalMapper *m_openMap;
// Command adapters
- std::vector<std::unique_ptr<DataProcessorCommandAdapter>> m_commands;
+ std::vector<std::unique_ptr<QtCommandAdapter>> m_commands;
signals:
void comboProcessInstrument_currentIndexChanged(int index);
@@ -196,7 +197,7 @@ private slots:
void ensureHasExtension(QString &filename) const;
};
-} // namespace Mantid
+} // namespace DataProcessor
} // namespace MantidWidgets
-
+} // namespace Mantid
#endif /* MANTIDQTMANTIDWIDGETS_QDATAPROCESSORWIDGET_H_ */
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h
similarity index 84%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h
index d1c5fe00a6ea41c5e5051c3503ddb04a8fdcd89b..d631263067001a0650835b17d15215c26d239f63 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h
@@ -2,16 +2,17 @@
#define MANTIDQTMANTIDWIDGETS_QDATAPROCESSORONELEVELTREEMODEL_H_
#include "MantidAPI/ITableWorkspace_fwd.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include <boost/shared_ptr.hpp>
#include <map>
#include <vector>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-/** QDataProcessorOneLevelTreeModel : Provides a QAbstractItemModel for a
+/** QOneLevelTreeModel : Provides a QAbstractItemModel for a
DataProcessorUI with no post-processing defined. The first argument to the
constructor is a Mantid ITableWorkspace containing the values to use in the
reduction. Each row in the table corresponds to an independent reduction. The
@@ -40,14 +41,14 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON QDataProcessorOneLevelTreeModel
- : public AbstractDataProcessorTreeModel {
+class EXPORT_OPT_MANTIDQT_COMMON QOneLevelTreeModel
+ : public AbstractTreeModel {
Q_OBJECT
public:
- QDataProcessorOneLevelTreeModel(
+ QOneLevelTreeModel(
Mantid::API::ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist);
- ~QDataProcessorOneLevelTreeModel() override;
+ const WhiteList &whitelist);
+ ~QOneLevelTreeModel() override;
// Functions to read data from the model
@@ -91,10 +92,11 @@ private:
std::vector<bool> m_rows;
};
-/// Typedef for a shared pointer to \c QDataProcessorOneLevelTreeModel
-typedef boost::shared_ptr<QDataProcessorOneLevelTreeModel>
- QDataProcessorOneLevelTreeModel_sptr;
+/// Typedef for a shared pointer to \c QOneLevelTreeModel
+using QOneLevelTreeModel_sptr =
+ boost::shared_ptr<QOneLevelTreeModel>;
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h
similarity index 86%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h
index aea247c9ab5865d74b5c62ff0e0171dbc18e7e97..45f3fae45c2e5bee3169d9d36502083e12d13848 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h
@@ -2,16 +2,17 @@
#define MANTIDQTMANTIDWIDGETS_QDATAPROCESSORTWOLEVELTREEMODEL_H_
#include "MantidAPI/ITableWorkspace_fwd.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include <boost/shared_ptr.hpp>
#include <map>
#include <vector>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-/** QDataProcessorTwoLevelTreeModel : Provides a QAbstractItemModel for a
+/** QTwoLevelTreeModel : Provides a QAbstractItemModel for a
DataProcessorUI with post-processing defined. The first argument to the
constructor is a Mantid ITableWorkspace containing the values to use in the
reduction. Each row corresponds to an independent reduction and the first column
@@ -43,14 +44,14 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON QDataProcessorTwoLevelTreeModel
- : public AbstractDataProcessorTreeModel {
+class EXPORT_OPT_MANTIDQT_COMMON QTwoLevelTreeModel
+ : public AbstractTreeModel {
Q_OBJECT
public:
- QDataProcessorTwoLevelTreeModel(
+ QTwoLevelTreeModel(
Mantid::API::ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist);
- ~QDataProcessorTwoLevelTreeModel() override;
+ const WhiteList &whitelist);
+ ~QTwoLevelTreeModel() override;
// Functions to read data from the model
@@ -103,10 +104,9 @@ private:
std::vector<std::vector<std::pair<int, bool>>> m_rowsOfGroup;
};
-/// Typedef for a shared pointer to \c QDataProcessorTwoLevelTreeModel
-typedef boost::shared_ptr<QDataProcessorTwoLevelTreeModel>
- QDataProcessorTwoLevelTreeModel_sptr;
-
+/// Typedef for a shared pointer to \c QTwoLevelTreeModel
+using QTwoLevelTreeModel_sptr = boost::shared_ptr<QTwoLevelTreeModel>;
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h
similarity index 77%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h
index 36aa4a529c8a9d8727a5fceb9ba9891674b1da98..f99f54fe1663c2b40e5c769e5d4d91ff86a0c327 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h
@@ -2,7 +2,7 @@
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDADAPTER_H
#include "MantidKernel/make_unique.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/Command.h"
#include "MantidQtWidgets/Common/DllOption.h"
#include <QObject>
#include <memory>
@@ -12,12 +12,13 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-using DataProcessorCommand_uptr = std::unique_ptr<DataProcessorCommand>;
+using Command_uptr = std::unique_ptr<Command>;
-/** @class DataProcessorCommandAdapter
+/** @class QtCommandAdapter
-DataProcessorCommandAdapter is an adapter that allows DataProcessorCommands to
+QtCommandAdapter is an adapter that allows Commands to
be treated as
QObjects for signals.
@@ -42,15 +43,14 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorCommandAdapter
- : public QObject {
+class EXPORT_OPT_MANTIDQT_COMMON QtCommandAdapter : public QObject {
Q_OBJECT
public:
/** Constructor: Adds actions to a menu
* @param menu :: The menu where the actions will be added
* @param adaptee :: The action to add
*/
- DataProcessorCommandAdapter(QMenu *menu, DataProcessorCommand_uptr adaptee)
+ QtCommandAdapter(QMenu *menu, Command_uptr adaptee)
: m_adaptee(std::move(adaptee)) {
if (m_adaptee->hasChild()) {
@@ -62,7 +62,7 @@ public:
auto &child = m_adaptee->getChild();
for (auto &ch : child) {
m_adapter.push_back(
- Mantid::Kernel::make_unique<DataProcessorCommandAdapter>(
+ Mantid::Kernel::make_unique<QtCommandAdapter>(
submenu, std::move(ch)));
}
} else {
@@ -76,8 +76,8 @@ public:
* @param toolbar :: The toolbar where actions will be added
* @param adaptee :: The action to add
*/
- DataProcessorCommandAdapter(QToolBar *toolbar,
- DataProcessorCommand_uptr adaptee)
+ QtCommandAdapter(QToolBar *toolbar,
+ Command_uptr adaptee)
: m_adaptee(std::move(adaptee)) {
if (!m_adaptee->hasChild()) {
@@ -111,12 +111,13 @@ public slots:
private:
// The adaptee
- DataProcessorCommand_uptr m_adaptee;
- std::vector<std::unique_ptr<DataProcessorCommandAdapter>> m_adapter;
+ Command_uptr m_adaptee;
+ std::vector<std::unique_ptr<QtCommandAdapter>> m_adapter;
};
-typedef std::unique_ptr<DataProcessorCommandAdapter>
- DataProcessorCommandAdapter_uptr;
+using QtCommandAdapter_uptr =
+ std::unique_ptr<QtCommandAdapter>;
}
}
-#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDADAPTER_H*/
\ No newline at end of file
+}
+#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORCOMMANDADAPTER_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h
index 295c58b26b9139e357e74269bbcf13da486e20cd..124b841edaf6a401dc2ea6ebb37999ba07e32ff0 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h
@@ -9,6 +9,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
class DataProcessorView;
class DataProcessorPresenter;
@@ -62,7 +63,8 @@ protected:
std::map<QString, QString> m_bindings;
};
-} // MantidWidgets
-} // MantidQt
+} // namespace DataProcessor
+} // namespace MantidWidgets
+} // namespace MantidQt
#endif /* MANTIDQTMANTIDWIDGETS_QTDATAPROCESSOROPTIONSDIALOG_H */
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h
index 19868484b3d6ef9af7cea25b6efa8d84f02e93e5..8bcb8ab394c5e81e0463b82930caef96981d8268 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLEASCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLEASCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorSaveTableAsCommand
+namespace DataProcessor {
+/** @class SaveTableAsCommand
-DataProcessorSaveTableAsCommand defines the action "Save Table As"
+SaveTableAsCommand defines the action "Save Table As"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorSaveTableAsCommand : public DataProcessorCommandBase {
+class SaveTableAsCommand : public CommandBase {
public:
- DataProcessorSaveTableAsCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorSaveTableAsCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorSaveTableAsCommand(){};
+ SaveTableAsCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ SaveTableAsCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~SaveTableAsCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::SaveAsFlag);
@@ -52,4 +53,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLEASCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h
similarity index 74%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h
index 5cb1bb667c0b4f2ca2986312751e740b698eeeb4..71091000a475ca5045e8aff0c138a36f07fab06b 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorSaveTableCommand
+namespace DataProcessor {
+/** @class SaveTableCommand
-DataProcessorSaveTableCommand defines the action "Save Table"
+SaveTableCommand defines the action "Save Table"
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,13 +31,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorSaveTableCommand : public DataProcessorCommandBase {
+class SaveTableCommand : public CommandBase {
public:
- DataProcessorSaveTableCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorSaveTableCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorSaveTableCommand(){};
+ SaveTableCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ SaveTableCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~SaveTableCommand(){};
void execute() override {
m_presenter->notify(DataProcessorPresenter::SaveFlag);
@@ -51,4 +52,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORSAVETABLECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h
similarity index 72%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h
index b7fa54bd25f7f30bed9158eb44865701ab235c55..c5d45c1594cf3120fd82c3249c6eb5a7f05e2c70 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORSEPARATORCOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORSEPARATORCOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorSeparatorCommand
+namespace DataProcessor {
+/** @class SeparatorCommand
-DataProcessorSeparatorCommand defines a separator. It has no name, no icon and
+SeparatorCommand defines a separator. It has no name, no icon and
empty
execute() method
@@ -32,13 +33,13 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorSeparatorCommand : public DataProcessorCommandBase {
+class SeparatorCommand : public CommandBase {
public:
- DataProcessorSeparatorCommand(DataProcessorPresenter *tablePresenter)
- : DataProcessorCommandBase(tablePresenter){};
- DataProcessorSeparatorCommand(const QDataProcessorWidget &widget)
- : DataProcessorCommandBase(widget){};
- virtual ~DataProcessorSeparatorCommand(){};
+ SeparatorCommand(DataProcessorPresenter *tablePresenter)
+ : CommandBase(tablePresenter){};
+ SeparatorCommand(const QDataProcessorWidget &widget)
+ : CommandBase(widget){};
+ virtual ~SeparatorCommand(){};
void execute() override{};
QString name() override { return QString(); }
@@ -49,4 +50,5 @@ public:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORSEPARATORCOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ToStdStringMap.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ToStdStringMap.h
index 1a56fcb85d3e128671a8397feb7164b73812c902..38a7ae75846a9190c625c5d9a30a4f95a6302997 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ToStdStringMap.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ToStdStringMap.h
@@ -32,8 +32,10 @@ Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
std::map<std::string, std::string> EXPORT_OPT_MANTIDQT_COMMON
toStdStringMap(std::map<QString, QString> const &inMap);
}
}
+}
#endif // MANTID_MANTIDWIDGETS_DATAPROCESSORTOSTDSTRINGMAP_H
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeData.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeData.h
index 68a61f8c485e7b66160f465421def00d82c3fdb8..e1da443d781194bdb4a4bcf6dc84a7ec572367ef 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeData.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeData.h
@@ -27,16 +27,18 @@
*/
#include "MantidKernel/System.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include "MantidQtWidgets/Common/DataProcessorUI/TreeData.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
using RowData = QStringList;
using GroupData = std::map<int, RowData>;
using TreeData = std::map<int, GroupData>;
}
}
+}
#endif // MANTIDQTMANTIDWIDGETS_DATAPROCESSORTREEDATA_H
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeManager.h
similarity index 82%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeManager.h
index c3bfc4ce0dc811648d89a26e11ee51e9ac039cbf..b178a4988f0905ae0372a10fb7441f65c4d58349 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TreeManager.h
@@ -3,7 +3,7 @@
#include "MantidAPI/ITableWorkspace_fwd.h"
#include "MantidAPI/Workspace_fwd.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h"
#include "MantidQtWidgets/Common/DataProcessorUI/TreeData.h"
#include <map>
#include <memory>
@@ -13,13 +13,14 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
-class DataProcessorCommand;
-class DataProcessorWhiteList;
+class Command;
+class WhiteList;
-/** @class DataProcessorTreeManager
+/** @class TreeManager
-DataProcessorTreeManager is an abstract base class defining some methods meant
+TreeManager is an abstract base class defining some methods meant
to be used by the Generic Data Processor presenter, which will delegate some
functionality to concrete tree manager implementations, depending on whether or
not a post-processing algorithm has been defined.
@@ -46,14 +47,14 @@ File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorTreeManager {
+class TreeManager {
public:
- virtual ~DataProcessorTreeManager(){};
+ virtual ~TreeManager(){};
/// Actions/commands
/// Publish actions/commands
- virtual std::vector<std::unique_ptr<DataProcessorCommand>>
+ virtual std::vector<std::unique_ptr<Command>>
publishCommands() = 0;
/// Append a row
virtual void appendRow() = 0;
@@ -74,10 +75,10 @@ public:
/// Paste selected
virtual void pasteSelected(const QString &text) = 0;
/// Blank table
- virtual void newTable(const DataProcessorWhiteList &whitelist) = 0;
+ virtual void newTable(const WhiteList &whitelist) = 0;
/// Blank table
virtual void newTable(Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist) = 0;
+ const WhiteList &whitelist) = 0;
/// Read/write data
@@ -85,7 +86,7 @@ public:
virtual TreeData selectedData(bool prompt = false) = 0;
/// Transfer new data to model
virtual void transfer(const std::vector<std::map<QString, QString>> &runs,
- const DataProcessorWhiteList &whitelist) = 0;
+ const WhiteList &whitelist) = 0;
/// Update row with new data
virtual void update(int parent, int child, const QStringList &data) = 0;
/// Get the number of rows of a given parent
@@ -110,17 +111,18 @@ public:
/// Return member variables
/// Return the model
- virtual boost::shared_ptr<AbstractDataProcessorTreeModel> getModel() = 0;
+ virtual boost::shared_ptr<AbstractTreeModel> getModel() = 0;
/// Return the table ws
virtual Mantid::API::ITableWorkspace_sptr getTableWorkspace() = 0;
protected:
/// Add a command to the list of available commands
- void addCommand(std::vector<std::unique_ptr<DataProcessorCommand>> &commands,
- std::unique_ptr<DataProcessorCommand> command) {
+ void addCommand(std::vector<std::unique_ptr<Command>> &commands,
+ std::unique_ptr<Command> command) {
commands.push_back(std::move(command));
}
};
}
}
+}
#endif /* MANTIDQTMANTIDWIDGETS_DATAPROCESSORTREEMANAGER_H */
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h
index 32522abe498cec34faae705e2f8956d65fc4a007..7b0649df177028e308da41270744a8607bc61aff 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h
@@ -1,20 +1,21 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORTWOLEVELTREEMANAGER_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORTWOLEVELTREEMANAGER_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TreeManager.h"
#include "MantidQtWidgets/Common/DllOption.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
class DataProcessorPresenter;
-class DataProcessorWhiteList;
-class QDataProcessorTwoLevelTreeModel;
+class WhiteList;
+class QTwoLevelTreeModel;
-/** @class DataProcessorTwoLevelTreeManager
+/** @class TwoLevelTreeManager
-DataProcessorTwoLevelTreeManager is a concrete implementation of a
-DataProcessorTreeManager that handles a two-level tree view (which corresponds
+TwoLevelTreeManager is a concrete implementation of a
+TreeManager that handles a two-level tree view (which corresponds
to a DataProcessorUI with a post-processing algorithm defined).
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
@@ -38,21 +39,21 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorTwoLevelTreeManager
- : public DataProcessorTreeManager {
+class EXPORT_OPT_MANTIDQT_COMMON TwoLevelTreeManager
+ : public TreeManager {
public:
/// Constructor
- DataProcessorTwoLevelTreeManager(DataProcessorPresenter *presenter,
+ TwoLevelTreeManager(DataProcessorPresenter *presenter,
Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist);
+ const WhiteList &whitelist);
/// Constructor (no table ws given)
- DataProcessorTwoLevelTreeManager(DataProcessorPresenter *presenter,
- const DataProcessorWhiteList &whitelist);
+ TwoLevelTreeManager(DataProcessorPresenter *presenter,
+ const WhiteList &whitelist);
/// Destructor
- ~DataProcessorTwoLevelTreeManager() override;
+ ~TwoLevelTreeManager() override;
/// Publish commands
- std::vector<std::unique_ptr<DataProcessorCommand>> publishCommands() override;
+ std::vector<std::unique_ptr<Command>> publishCommands() override;
/// Append a row
void appendRow() override;
/// Append a group to the model
@@ -72,16 +73,16 @@ public:
/// Paste selected
void pasteSelected(const QString &text) override;
/// Blank table
- void newTable(const DataProcessorWhiteList &whitelist) override;
+ void newTable(const WhiteList &whitelist) override;
/// New table
void newTable(Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist) override;
+ const WhiteList &whitelist) override;
/// Return selected data
TreeData selectedData(bool prompt) override;
/// Transfer new data to model
void transfer(const std::vector<std::map<QString, QString>> &runs,
- const DataProcessorWhiteList &whitelist) override;
+ const WhiteList &whitelist) override;
/// Update row with new data
void update(int parent, int child, const QStringList &data) override;
/// Get the number of rows of a given parent
@@ -104,7 +105,7 @@ public:
size_t whitelistColumns) const override;
/// Return the model
- boost::shared_ptr<AbstractDataProcessorTreeModel> getModel() override;
+ boost::shared_ptr<AbstractTreeModel> getModel() override;
/// Return the table workspace
Mantid::API::ITableWorkspace_sptr getTableWorkspace() override;
@@ -112,7 +113,7 @@ private:
/// The DataProcessor presenter
DataProcessorPresenter *m_presenter;
/// The model
- boost::shared_ptr<QDataProcessorTwoLevelTreeModel> m_model;
+ boost::shared_ptr<QTwoLevelTreeModel> m_model;
/// Insert a row in the model
void insertRow(int groupIndex, int rowIndex);
@@ -122,11 +123,12 @@ private:
int numRowsInGroup(int groupId) const;
/// Create a default table workspace
Mantid::API::ITableWorkspace_sptr
- createDefaultWorkspace(const DataProcessorWhiteList &whitelist);
+ createDefaultWorkspace(const WhiteList &whitelist);
/// Validate a table workspace
void validateModel(Mantid::API::ITableWorkspace_sptr ws,
size_t whitelistColumns) const;
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORTWOLEVELTREEMANAGER_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/VectorString.h
similarity index 98%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/VectorString.h
index f684961e05d5d9cbfa2c68473b107311748c30f5..31992396af05013f3aefeb4f8c74eed0424ed9d9 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/VectorString.h
@@ -1,7 +1,7 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORVECTORSTRING_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORVECTORSTRING_H
-/** @class DataProcessorVectorString
+/** @class VectorString
Copyright © 2007-8 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -32,6 +32,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
namespace {
template <typename A>
std::vector<std::string>
@@ -83,5 +84,5 @@ QString vectorParamString(const QString ¶m_name,
}
}
}
-
+}
#endif // MANTIDQTMANTIDWIDGETS_DATAPROCESSORVECTORSTRING_H
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WhiteList.h
similarity index 89%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WhiteList.h
index d47cd8eb4910fa0a9268cad716c869f20f7c63f4..b0214e4139c3b0bf9faee7e5d4fe1e5c116d34c4 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WhiteList.h
@@ -10,9 +10,11 @@
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorWhiteList
+namespace DataProcessor {
-DataProcessorWhiteList is an class defining a whitelist
+/** @class WhiteList
+
+WhiteList is an class defining a whitelist
Copyright © 2011-14 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -35,10 +37,10 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class EXPORT_OPT_MANTIDQT_COMMON DataProcessorWhiteList {
+class EXPORT_OPT_MANTIDQT_COMMON WhiteList {
public:
- DataProcessorWhiteList() : m_lastIndex(0){};
- virtual ~DataProcessorWhiteList(){};
+ WhiteList() : m_lastIndex(0){};
+ virtual ~WhiteList(){};
void addElement(const QString &colName, const QString &algProperty,
const QString &description, bool showValue = false,
@@ -62,4 +64,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORWHITELIST_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h
similarity index 75%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h
index 301736c7a804faa57ea1941be706eaddf48521f2..eb4c41941166fe279b943c9c7ddbefa3fbc92542 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h
@@ -1,13 +1,14 @@
#ifndef MANTIDQTMANTIDWIDGETS_DATAPROCESSORWORKSPACECOMMAND_H
#define MANTIDQTMANTIDWIDGETS_DATAPROCESSORWORKSPACECOMMAND_H
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CommandBase.h"
namespace MantidQt {
namespace MantidWidgets {
-/** @class DataProcessorWorkspaceCommand
+namespace DataProcessor {
+/** @class WorkspaceCommand
-DataProcessorWorkspaceCommand defines a workspace action
+WorkspaceCommand defines a workspace action
Copyright © 2011-16 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -30,15 +31,15 @@ along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>.
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
-class DataProcessorWorkspaceCommand : public DataProcessorCommandBase {
+class WorkspaceCommand : public CommandBase {
public:
- DataProcessorWorkspaceCommand(DataProcessorPresenter *tablePresenter,
+ WorkspaceCommand(DataProcessorPresenter *tablePresenter,
const QString &name)
- : DataProcessorCommandBase(tablePresenter), m_name(name){};
- DataProcessorWorkspaceCommand(const QDataProcessorWidget &widget,
+ : CommandBase(tablePresenter), m_name(name){};
+ WorkspaceCommand(const QDataProcessorWidget &widget,
const QString &name)
- : DataProcessorCommandBase(widget), m_name(name){};
- virtual ~DataProcessorWorkspaceCommand(){};
+ : CommandBase(widget), m_name(name){};
+ virtual ~WorkspaceCommand(){};
void execute() override {
// Tell the presenter which of the available workspaces was selected
@@ -55,4 +56,5 @@ private:
};
}
}
+}
#endif /*MANTIDQTMANTIDWIDGETS_DATAPROCESSORWORKSPACECOMMAND_H*/
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h b/qt/widgets/common/inc/MantidQtWidgets/Common/ParseKeyValueString.h
similarity index 100%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/ParseKeyValueString.h
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h b/qt/widgets/common/inc/MantidQtWidgets/Common/ParseNumerics.h
similarity index 100%
rename from qt/widgets/common/inc/MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h
rename to qt/widgets/common/inc/MantidQtWidgets/Common/ParseNumerics.h
diff --git a/qt/widgets/common/inc/MantidQtWidgets/Common/PythonThreading.h b/qt/widgets/common/inc/MantidQtWidgets/Common/PythonThreading.h
index 2b33468c29e1630382a803019529e11b63287473..bbe1cd475981d24e6fbdeb2bb421e1f7afa8bdf0 100644
--- a/qt/widgets/common/inc/MantidQtWidgets/Common/PythonThreading.h
+++ b/qt/widgets/common/inc/MantidQtWidgets/Common/PythonThreading.h
@@ -4,6 +4,15 @@
#include "MantidQtWidgets/Common/PythonSystemHeader.h" // this needs to go first
#include "MantidQtWidgets/Common/DllOption.h"
+//------------------------------------------------------------------------------
+// Python Interpreter
+//------------------------------------------------------------------------------
+class EXPORT_OPT_MANTIDQT_COMMON PythonInterpreter {
+public:
+ static void initialize();
+ static void finalize();
+};
+
//------------------------------------------------------------------------------
// PythonGIL
//------------------------------------------------------------------------------
@@ -13,18 +22,20 @@
*
*/
class EXPORT_OPT_MANTIDQT_COMMON PythonGIL {
+
+public:
+ static bool locked();
+
public:
PythonGIL();
+ PythonGIL(const PythonGIL &) = delete;
+ PythonGIL &operator=(const PythonGIL &) = delete;
- inline bool locked() const { return m_acquired; }
void acquire();
void release();
private:
- PythonGIL(const PythonGIL &);
- /// Current GIL state
PyGILState_STATE m_state;
- bool m_acquired;
};
//------------------------------------------------------------------------------
diff --git a/qt/widgets/common/src/DataProcessorUI/AbstractDataProcessorTreeModel.cpp b/qt/widgets/common/src/DataProcessorUI/AbstractTreeModel.cpp
similarity index 67%
rename from qt/widgets/common/src/DataProcessorUI/AbstractDataProcessorTreeModel.cpp
rename to qt/widgets/common/src/DataProcessorUI/AbstractTreeModel.cpp
index e1ace6a042beef40d67679b9b978abc4e52b1edf..9e44338832511df9b5788a02495fd593b2e94ebd 100644
--- a/qt/widgets/common/src/DataProcessorUI/AbstractDataProcessorTreeModel.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/AbstractTreeModel.cpp
@@ -1,28 +1,29 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/AbstractDataProcessorTreeModel.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AbstractTreeModel.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
using namespace Mantid::API;
//----------------------------------------------------------------------------------------------
/** Constructor: initialise member variables common to all data processing tree
* model implementations
* @param tableWorkspace : The table workspace to wrap
-* @param whitelist : A DataProcessorWhiteList containing the columns
+* @param whitelist : A WhiteList containing the columns
*/
-AbstractDataProcessorTreeModel::AbstractDataProcessorTreeModel(
+AbstractTreeModel::AbstractTreeModel(
ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist)
+ const WhiteList &whitelist)
: m_tWS(tableWorkspace), m_whitelist(whitelist) {}
-AbstractDataProcessorTreeModel::~AbstractDataProcessorTreeModel() {}
+AbstractTreeModel::~AbstractTreeModel() {}
/** Returns the number of columns, i.e. elements in the whitelist
* @return : The number of columns
*/
-int AbstractDataProcessorTreeModel::columnCount(
+int AbstractTreeModel::columnCount(
const QModelIndex & /* parent */) const {
return static_cast<int>(m_whitelist.size());
}
@@ -32,12 +33,12 @@ int AbstractDataProcessorTreeModel::columnCount(
* @return : The item flags
*/
Qt::ItemFlags
-AbstractDataProcessorTreeModel::flags(const QModelIndex &index) const {
+AbstractTreeModel::flags(const QModelIndex &index) const {
if (!index.isValid())
return 0;
return Qt::ItemIsEditable | QAbstractItemModel::flags(index);
}
-
+} // namespace DataProcessor
} // namespace MantidWidgets
-} // namespace Mantid
\ No newline at end of file
+} // namespace Mantid
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorGenerateNotebook.cpp b/qt/widgets/common/src/DataProcessorUI/GenerateNotebook.cpp
similarity index 93%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorGenerateNotebook.cpp
rename to qt/widgets/common/src/DataProcessorUI/GenerateNotebook.cpp
index 5f1bfe1e4bd32dc3a3b475ea39295e75faed99d7..42382ea278841f62da785bae13b975546b16b6e1 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorGenerateNotebook.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/GenerateNotebook.cpp
@@ -1,12 +1,11 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/NotebookWriter.h"
#include "MantidKernel/make_unique.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/VectorString.h"
+#include "MantidQtWidgets/Common/ParseKeyValueString.h"
#include <boost/algorithm/string.hpp>
-#include <boost/foreach.hpp>
#include <boost/regex.hpp>
#include <boost/tokenizer.hpp>
#include <fstream>
@@ -16,6 +15,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/*
* Split the input string on commas and trim leading and trailing whitespace
@@ -47,12 +47,12 @@ the corresponding hinting line edit in the view
specified via the corresponding hinting line edit in the view
@returns ipython notebook string
*/
-DataProcessorGenerateNotebook::DataProcessorGenerateNotebook(
+GenerateNotebook::GenerateNotebook(
QString name, const QString instrument,
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> preprocessingOptionsMap,
const QString processingOptions, const QString postprocessingOptions)
: m_wsName(name), m_instrument(instrument), m_whitelist(whitelist),
@@ -72,7 +72,7 @@ DataProcessorGenerateNotebook::DataProcessorGenerateNotebook(
@param data : the processed data
@returns ipython notebook string
*/
-QString DataProcessorGenerateNotebook::generateNotebook(const TreeData &data) {
+QString GenerateNotebook::generateNotebook(const TreeData &data) {
auto notebook = Mantid::Kernel::make_unique<Mantid::API::NotebookWriter>();
@@ -161,7 +161,7 @@ QString titleString(const QString &wsName) {
@return string containing the python code
*/
QString plotsString(const QStringList &output_ws, const QString &stitched_wsStr,
- const DataProcessorProcessingAlgorithm &processor) {
+ const ProcessingAlgorithm &processor) {
// First, we have to parse 'output_ws'
// This is a vector containing all the output workspace produced during the
@@ -233,7 +233,7 @@ QString plotsString(const QStringList &output_ws, const QString &stitched_wsStr,
@return string containing the markdown code
*/
QString tableString(const TreeData &treeData,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
QString tableString;
@@ -287,9 +287,9 @@ QString tableString(const TreeData &treeData,
@return tuple containing the python code string and the output workspace name
*/
boost::tuple<QString, QString> postprocessGroupString(
- const GroupData &rowMap, const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const GroupData &rowMap, const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const QString &postprocessingOptions) {
QString stitchString;
@@ -352,7 +352,7 @@ QString plot1DString(const QStringList &ws_names) {
@return : the workspace name
*/
QString getReducedWorkspaceName(const RowData &data,
- const DataProcessorWhiteList &whitelist,
+ const WhiteList &whitelist,
const QString &prefix) {
int ncols = static_cast<int>(whitelist.size());
@@ -403,9 +403,9 @@ void addProperties(QStringList &algProperties, const Map &optionsMap) {
*/
boost::tuple<QString, QString> reduceRowString(
const RowData &data, const QString &instrument,
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
const std::map<QString, QString> &preprocessingOptionsMap,
const QString &processingOptions) {
@@ -442,7 +442,7 @@ boost::tuple<QString, QString> reduceRowString(
// Some runs were given for pre-processing
// The pre-processing alg
- const DataProcessorPreprocessingAlgorithm preprocessor =
+ const PreprocessingAlgorithm preprocessor =
preprocessMap.at(colName);
// The pre-processing options
const QString options = preprocessingOptionsMap.count(colName) > 0
@@ -533,7 +533,7 @@ boost::tuple<QString, QString> reduceRowString(
*/
boost::tuple<QString, QString>
loadWorkspaceString(const QString &runStr, const QString &instrument,
- const DataProcessorPreprocessingAlgorithm &preprocessor,
+ const PreprocessingAlgorithm &preprocessor,
const QString &options) {
auto runs = runStr.split(QRegExp("[+,]"));
@@ -582,7 +582,7 @@ loadWorkspaceString(const QString &runStr, const QString &instrument,
@return string of python code
*/
QString plusString(const QString &input_name, const QString &output_name,
- const DataProcessorPreprocessingAlgorithm &preprocessor,
+ const PreprocessingAlgorithm &preprocessor,
const QString &options) {
QString plusString;
@@ -651,3 +651,4 @@ QString completeOutputProperties(const QString &algName,
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/GenericDataProcessorPresenter.cpp b/qt/widgets/common/src/DataProcessorUI/GenericDataProcessorPresenter.cpp
index 94080f6419631878c0440bd7acd01c1faeb05b79..1becdaabc7a919bc81c2953b9381b03e6fc00281 100644
--- a/qt/widgets/common/src/DataProcessorUI/GenericDataProcessorPresenter.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/GenericDataProcessorPresenter.cpp
@@ -12,13 +12,13 @@
#include "MantidKernel/Utils.h"
#include "MantidKernel/make_unique.h"
#include "MantidQtWidgets/Common/AlgorithmHintStrategy.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorView.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterRowReducerWorker.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterGroupReducerWorker.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenterThread.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h"
+#include "MantidQtWidgets/Common/ParseKeyValueString.h"
#include "MantidQtWidgets/Common/DataProcessorUI/QtDataProcessorOptionsDialog.h"
#include "MantidQtWidgets/Common/ProgressableView.h"
@@ -102,23 +102,24 @@ void removeWorkspace(QString const &workspaceName) {
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
* Constructor
* @param whitelist : The set of properties we want to show as columns
* @param preprocessMap : A map containing instructions for pre-processing
-* @param processor : A DataProcessorProcessingAlgorithm
-* @param postprocessor : A DataProcessorPostprocessingAlgorithm
+* @param processor : A ProcessingAlgorithm
+* @param postprocessor : A PostprocessingAlgorithm
* workspaces
* @param postprocessMap : A map containing instructions for post-processing.
* This map links column name to properties of the post-processing algorithm
* @param loader : The algorithm responsible for loading data
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> &postprocessMap, const QString &loader)
: WorkspaceObserver(), m_view(nullptr), m_progressView(nullptr),
m_mainPresenter(), m_loader(loader), m_whitelist(whitelist),
@@ -162,10 +163,10 @@ GenericDataProcessorPresenter::GenericDataProcessorPresenter(
if (m_postprocessor.name().isEmpty()) {
m_postprocess = false;
- m_manager = Mantid::Kernel::make_unique<DataProcessorOneLevelTreeManager>(
+ m_manager = Mantid::Kernel::make_unique<OneLevelTreeManager>(
this, m_whitelist);
} else {
- m_manager = Mantid::Kernel::make_unique<DataProcessorTwoLevelTreeManager>(
+ m_manager = Mantid::Kernel::make_unique<TwoLevelTreeManager>(
this, m_whitelist);
}
}
@@ -173,16 +174,16 @@ GenericDataProcessorPresenter::GenericDataProcessorPresenter(
/**
* Delegating constructor (no pre-processing needed)
* @param whitelist : The set of properties we want to show as columns
-* @param processor : A DataProcessorProcessingAlgorithm
-* @param postprocessor : A DataProcessorPostprocessingAlgorithm
+* @param processor : A ProcessingAlgorithm
+* @param postprocessor : A PostprocessingAlgorithm
* workspaces
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor)
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor)
: GenericDataProcessorPresenter(
- whitelist, std::map<QString, DataProcessorPreprocessingAlgorithm>(),
+ whitelist, std::map<QString, PreprocessingAlgorithm>(),
processor, postprocessor) {}
/**
@@ -190,38 +191,38 @@ GenericDataProcessorPresenter::GenericDataProcessorPresenter(
* @param whitelist : The set of properties we want to show as columns
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist)
+ const WhiteList &whitelist)
: GenericDataProcessorPresenter(
- whitelist, std::map<QString, DataProcessorPreprocessingAlgorithm>(),
- DataProcessorProcessingAlgorithm(),
- DataProcessorPostprocessingAlgorithm()) {}
+ whitelist, std::map<QString, PreprocessingAlgorithm>(),
+ ProcessingAlgorithm(),
+ PostprocessingAlgorithm()) {}
/**
* Delegating constructor (no post-processing needed)
* @param whitelist : The set of properties we want to show as columns
* @param preprocessMap : A map containing instructions for pre-processing
-* @param processor : A DataProcessorProcessingAlgorithm
+* @param processor : A ProcessingAlgorithm
* workspaces
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &preprocessMap,
- const DataProcessorProcessingAlgorithm &processor)
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &preprocessMap,
+ const ProcessingAlgorithm &processor)
: GenericDataProcessorPresenter(whitelist, preprocessMap, processor,
- DataProcessorPostprocessingAlgorithm()) {}
+ PostprocessingAlgorithm()) {}
/**
* Delegating constructor (no pre-processing needed, no post-processing needed)
* @param whitelist : The set of properties we want to show as columns
-* @param processor : A DataProcessorProcessingAlgorithm
+* @param processor : A ProcessingAlgorithm
* workspaces
*/
GenericDataProcessorPresenter::GenericDataProcessorPresenter(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor)
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor)
: GenericDataProcessorPresenter(
- whitelist, std::map<QString, DataProcessorPreprocessingAlgorithm>(),
- processor, DataProcessorPostprocessingAlgorithm()) {}
+ whitelist, std::map<QString, PreprocessingAlgorithm>(),
+ processor, PostprocessingAlgorithm()) {}
/**
* Destructor
@@ -553,7 +554,7 @@ void GenericDataProcessorPresenter::saveNotebook(const TreeData &data) {
const auto preprocessingOptionsMap =
convertStringToMap(m_preprocessingOptions);
- auto notebook = Mantid::Kernel::make_unique<DataProcessorGenerateNotebook>(
+ auto notebook = Mantid::Kernel::make_unique<GenerateNotebook>(
m_wsName, m_view->getProcessInstrument(), m_whitelist, m_preprocessMap,
m_processor, m_postprocessor, preprocessingOptionsMap,
m_processingOptions, m_postprocessingOptions);
@@ -660,7 +661,7 @@ desired workspace
*/
Workspace_sptr GenericDataProcessorPresenter::prepareRunWorkspace(
const QString &runStr,
- const DataProcessorPreprocessingAlgorithm &preprocessor,
+ const PreprocessingAlgorithm &preprocessor,
const std::map<std::string, std::string> &optionsMap) {
auto const instrument = m_view->getProcessInstrument();
@@ -1594,7 +1595,7 @@ void GenericDataProcessorPresenter::initOptions() {
void GenericDataProcessorPresenter::addCommands() {
auto commands = m_manager->publishCommands();
- std::vector<std::unique_ptr<DataProcessorCommand>> commandsToShow;
+ std::vector<std::unique_ptr<Command>> commandsToShow;
for (auto comm = 10u; comm < commands.size(); comm++)
commandsToShow.push_back(std::move(commands.at(comm)));
m_view->addActions(std::move(commandsToShow));
@@ -1646,7 +1647,7 @@ void GenericDataProcessorPresenter::setPromptUser(bool allowPrompt) {
* Publishes a list of available commands
* @return : The list of available commands
*/
-std::vector<std::unique_ptr<DataProcessorCommand>>
+std::vector<std::unique_ptr<Command>>
GenericDataProcessorPresenter::publishCommands() {
auto commands = m_manager->publishCommands();
@@ -1674,15 +1675,15 @@ void GenericDataProcessorPresenter::accept(
/** Returs the list of valid workspaces currently in the ADS
* @return : The vector of workspaces (as commands)
*/
-std::vector<DataProcessorCommand_uptr>
+std::vector<Command_uptr>
GenericDataProcessorPresenter::getTableList() {
- std::vector<DataProcessorCommand_uptr> workspaces;
+ std::vector<Command_uptr> workspaces;
workspaces.reserve(m_workspaceList.size());
// Create a command for each of the workspaces in the ADS
for (const auto &name : m_workspaceList) {
workspaces.push_back(
- Mantid::Kernel::make_unique<DataProcessorWorkspaceCommand>(this, name));
+ Mantid::Kernel::make_unique<WorkspaceCommand>(this, name));
}
return workspaces;
}
@@ -1812,3 +1813,4 @@ void GenericDataProcessorPresenter::clearTable() { m_manager->deleteRow(); }
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorOneLevelTreeManager.cpp b/qt/widgets/common/src/DataProcessorUI/OneLevelTreeManager.cpp
similarity index 67%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorOneLevelTreeManager.cpp
rename to qt/widgets/common/src/DataProcessorUI/OneLevelTreeManager.cpp
index 1c066e7e70e8c2e1f2ebd81ff16d6c4659590d1d..efce397f7e5c6b8f010b055fcdb1f8d47cded5e0 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorOneLevelTreeManager.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/OneLevelTreeManager.cpp
@@ -1,25 +1,25 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h"
#include "MantidKernel/make_unique.h"
#include <boost/algorithm/string/classification.hpp>
#include <boost/algorithm/string/join.hpp>
@@ -31,6 +31,7 @@ using namespace MantidQt::MantidWidgets;
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
* Constructor
@@ -38,66 +39,66 @@ namespace MantidWidgets {
* @param table :: a table workspace
* @param whitelist :: a whitelist
*/
-DataProcessorOneLevelTreeManager::DataProcessorOneLevelTreeManager(
+OneLevelTreeManager::OneLevelTreeManager(
DataProcessorPresenter *presenter, Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist)
+ const WhiteList &whitelist)
: m_presenter(presenter),
- m_model(new QDataProcessorOneLevelTreeModel(table, whitelist)) {}
+ m_model(new QOneLevelTreeModel(table, whitelist)) {}
/**
* Constructor (no table workspace given)
* @param presenter :: [input] The DataProcessor presenter
* @param whitelist :: [input] A whitelist containing the number of columns
*/
-DataProcessorOneLevelTreeManager::DataProcessorOneLevelTreeManager(
- DataProcessorPresenter *presenter, const DataProcessorWhiteList &whitelist)
- : DataProcessorOneLevelTreeManager(
+OneLevelTreeManager::OneLevelTreeManager(
+ DataProcessorPresenter *presenter, const WhiteList &whitelist)
+ : OneLevelTreeManager(
presenter, createDefaultWorkspace(whitelist), whitelist) {}
/**
* Destructor
*/
-DataProcessorOneLevelTreeManager::~DataProcessorOneLevelTreeManager() {}
+OneLevelTreeManager::~OneLevelTreeManager() {}
/**
* Publishes a list of available commands
* @return : The list of available commands
*/
-std::vector<DataProcessorCommand_uptr>
-DataProcessorOneLevelTreeManager::publishCommands() {
+std::vector<Command_uptr>
+OneLevelTreeManager::publishCommands() {
- std::vector<DataProcessorCommand_uptr> commands;
+ std::vector<Command_uptr> commands;
- addCommand(commands, make_unique<DataProcessorOpenTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorNewTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSaveTableCommand>(m_presenter));
+ addCommand(commands, make_unique<OpenTableCommand>(m_presenter));
+ addCommand(commands, make_unique<NewTableCommand>(m_presenter));
+ addCommand(commands, make_unique<SaveTableCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorSaveTableAsCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
+ make_unique<SaveTableAsCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorImportTableCommand>(m_presenter));
+ make_unique<ImportTableCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorExportTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorOptionsCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorProcessCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorPauseCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorPlotRowCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorAppendRowCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
+ make_unique<ExportTableCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<OptionsCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<ProcessCommand>(m_presenter));
+ addCommand(commands, make_unique<PauseCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<PlotRowCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<AppendRowCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorCopySelectedCommand>(m_presenter));
+ make_unique<CopySelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorCutSelectedCommand>(m_presenter));
+ make_unique<CutSelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorPasteSelectedCommand>(m_presenter));
+ make_unique<PasteSelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorClearSelectedCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorDeleteRowCommand>(m_presenter));
+ make_unique<ClearSelectedCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<DeleteRowCommand>(m_presenter));
return commands;
}
@@ -106,7 +107,7 @@ Insert a row after the last selected row. If nothing was selected, the new row
is appended to
to the last row the table.
*/
-void DataProcessorOneLevelTreeManager::appendRow() {
+void OneLevelTreeManager::appendRow() {
auto selectedRows = m_presenter->selectedParents();
@@ -119,7 +120,7 @@ void DataProcessorOneLevelTreeManager::appendRow() {
/** Appends a group.
*/
-void DataProcessorOneLevelTreeManager::appendGroup() {
+void OneLevelTreeManager::appendGroup() {
// This method should never be called
throw std::runtime_error("Can't append group to table");
@@ -128,7 +129,7 @@ void DataProcessorOneLevelTreeManager::appendGroup() {
/**
Delete row(s) from the model
*/
-void DataProcessorOneLevelTreeManager::deleteRow() {
+void OneLevelTreeManager::deleteRow() {
auto selectedRows = m_presenter->selectedParents();
while(!selectedRows.empty()) {
// Remove a row
@@ -145,7 +146,7 @@ void DataProcessorOneLevelTreeManager::deleteRow() {
/**
Delete group(s) from the model
*/
-void DataProcessorOneLevelTreeManager::deleteGroup() {
+void OneLevelTreeManager::deleteGroup() {
// This method should never be called
throw std::runtime_error("Can't delete group");
@@ -154,7 +155,7 @@ void DataProcessorOneLevelTreeManager::deleteGroup() {
/**
Group rows together
*/
-void DataProcessorOneLevelTreeManager::groupRows() {
+void OneLevelTreeManager::groupRows() {
// This method should never be called
throw std::runtime_error("Can't group rows");
@@ -163,14 +164,14 @@ void DataProcessorOneLevelTreeManager::groupRows() {
/** Expands the current selection to all the rows in the selected groups
* @return :: Groups containing selected rows
*/
-std::set<int> DataProcessorOneLevelTreeManager::expandSelection() {
+std::set<int> OneLevelTreeManager::expandSelection() {
// This method should never be called
throw std::runtime_error("Can't expand selection");
}
/** Clear the currently selected rows */
-void DataProcessorOneLevelTreeManager::clearSelected() {
+void OneLevelTreeManager::clearSelected() {
const auto selectedRows = m_presenter->selectedParents();
@@ -184,7 +185,7 @@ void DataProcessorOneLevelTreeManager::clearSelected() {
}
/** Return the currently selected rows as a string */
-QString DataProcessorOneLevelTreeManager::copySelected() {
+QString OneLevelTreeManager::copySelected() {
const auto selectedRows = m_presenter->selectedParents();
QStringList lines;
@@ -202,7 +203,7 @@ QString DataProcessorOneLevelTreeManager::copySelected() {
* append new rows
* @param text :: Selected rows to paste as a string
*/
-void DataProcessorOneLevelTreeManager::pasteSelected(const QString &text) {
+void OneLevelTreeManager::pasteSelected(const QString &text) {
if (text.isEmpty())
return;
@@ -239,10 +240,10 @@ void DataProcessorOneLevelTreeManager::pasteSelected(const QString &text) {
/** Opens a blank table
* @param whitelist :: A whitelist with the columns for the new table
*/
-void DataProcessorOneLevelTreeManager::newTable(
- const DataProcessorWhiteList &whitelist) {
+void OneLevelTreeManager::newTable(
+ const WhiteList &whitelist) {
- m_model.reset(new QDataProcessorOneLevelTreeModel(
+ m_model.reset(new QOneLevelTreeModel(
createDefaultWorkspace(whitelist), whitelist));
}
@@ -250,11 +251,11 @@ void DataProcessorOneLevelTreeManager::newTable(
* @param table :: A table to open
* @param whitelist :: A whitelist with the columns for the new table
*/
-void DataProcessorOneLevelTreeManager::newTable(
- ITableWorkspace_sptr table, const DataProcessorWhiteList &whitelist) {
+void OneLevelTreeManager::newTable(
+ ITableWorkspace_sptr table, const WhiteList &whitelist) {
if (isValidModel(table, whitelist.size())) {
- m_model.reset(new QDataProcessorOneLevelTreeModel(table, whitelist));
+ m_model.reset(new QOneLevelTreeModel(table, whitelist));
} else
throw std::runtime_error("Selected table has the incorrect number of "
"columns to be used as a data processor table.");
@@ -264,7 +265,7 @@ void DataProcessorOneLevelTreeManager::newTable(
Inserts a new row to the specified group in the specified location
@param rowIndex :: The index to insert the new row after
*/
-void DataProcessorOneLevelTreeManager::insertRow(int rowIndex) {
+void OneLevelTreeManager::insertRow(int rowIndex) {
m_model->insertRow(rowIndex);
}
@@ -275,7 +276,7 @@ void DataProcessorOneLevelTreeManager::insertRow(int rowIndex) {
* @return :: Selected data as a map where keys are units of post-processing and
* values are
*/
-TreeData DataProcessorOneLevelTreeManager::selectedData(bool prompt) {
+TreeData OneLevelTreeManager::selectedData(bool prompt) {
TreeData selectedData;
@@ -324,9 +325,9 @@ TreeData DataProcessorOneLevelTreeManager::selectedData(bool prompt) {
* @param runs :: [input] Data to transfer as a vector of maps
* @param whitelist :: [input] Whitelist containing number of columns
*/
-void DataProcessorOneLevelTreeManager::transfer(
+void OneLevelTreeManager::transfer(
const std::vector<std::map<QString, QString>> &runs,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws = m_model->getTableWorkspace();
@@ -359,7 +360,7 @@ void DataProcessorOneLevelTreeManager::transfer(
}
}
- m_model.reset(new QDataProcessorOneLevelTreeModel(ws, whitelist));
+ m_model.reset(new QOneLevelTreeModel(ws, whitelist));
}
/** Updates a row with new data
@@ -367,7 +368,7 @@ void DataProcessorOneLevelTreeManager::transfer(
* @param child :: the row
* @param data :: the data
*/
-void DataProcessorOneLevelTreeManager::update(int parent, int child,
+void OneLevelTreeManager::update(int parent, int child,
const QStringList &data) {
UNUSED_ARG(child);
@@ -382,7 +383,7 @@ void DataProcessorOneLevelTreeManager::update(int parent, int child,
/** Gets the number of rows in the table
* @return : Number of rows
*/
-int DataProcessorOneLevelTreeManager::rowCount() const {
+int OneLevelTreeManager::rowCount() const {
return m_model->rowCount();
}
@@ -390,7 +391,7 @@ int DataProcessorOneLevelTreeManager::rowCount() const {
* @param parent : The parent of the row
* @return : Number of rows
*/
-int DataProcessorOneLevelTreeManager::rowCount(int parent) const {
+int OneLevelTreeManager::rowCount(int parent) const {
UNUSED_ARG(parent);
return m_model->rowCount();
}
@@ -399,7 +400,7 @@ int DataProcessorOneLevelTreeManager::rowCount(int parent) const {
* @param position : The row index
* @return : 'process' status
*/
-bool DataProcessorOneLevelTreeManager::isProcessed(int position) const {
+bool OneLevelTreeManager::isProcessed(int position) const {
return m_model->isProcessed(position);
}
@@ -408,7 +409,7 @@ bool DataProcessorOneLevelTreeManager::isProcessed(int position) const {
* @param parent : The parent of the row
* @return : 'process' status
*/
-bool DataProcessorOneLevelTreeManager::isProcessed(int position,
+bool OneLevelTreeManager::isProcessed(int position,
int parent) const {
UNUSED_ARG(parent);
return m_model->isProcessed(position);
@@ -418,7 +419,7 @@ bool DataProcessorOneLevelTreeManager::isProcessed(int position,
* @param processed : True to set row as processed, false to set unprocessed
* @param position : The index of the row to be set
*/
-void DataProcessorOneLevelTreeManager::setProcessed(bool processed,
+void OneLevelTreeManager::setProcessed(bool processed,
int position) {
m_model->setProcessed(processed, position);
}
@@ -428,7 +429,7 @@ void DataProcessorOneLevelTreeManager::setProcessed(bool processed,
* @param position : The index of the row to be set
* @param parent : The parent of the row
*/
-void DataProcessorOneLevelTreeManager::setProcessed(bool processed,
+void OneLevelTreeManager::setProcessed(bool processed,
int position, int parent) {
UNUSED_ARG(parent);
m_model->setProcessed(processed, position);
@@ -437,15 +438,15 @@ void DataProcessorOneLevelTreeManager::setProcessed(bool processed,
/** Return a shared ptr to the model
* @return :: A shared ptr to the model
*/
-boost::shared_ptr<AbstractDataProcessorTreeModel>
-DataProcessorOneLevelTreeManager::getModel() {
+boost::shared_ptr<AbstractTreeModel>
+OneLevelTreeManager::getModel() {
return m_model;
}
/** Returns the table workspace containing the data
* @return :: The table workspace
*/
-ITableWorkspace_sptr DataProcessorOneLevelTreeManager::getTableWorkspace() {
+ITableWorkspace_sptr OneLevelTreeManager::getTableWorkspace() {
return m_model->getTableWorkspace();
}
@@ -455,8 +456,8 @@ ITableWorkspace_sptr DataProcessorOneLevelTreeManager::getTableWorkspace() {
* @param whitelist :: The whitelist that will be used to create a new table
* @return : A default table
*/
-ITableWorkspace_sptr DataProcessorOneLevelTreeManager::createDefaultWorkspace(
- const DataProcessorWhiteList &whitelist) {
+ITableWorkspace_sptr OneLevelTreeManager::createDefaultWorkspace(
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws =
Mantid::API::WorkspaceFactory::Instance().createTable();
@@ -474,7 +475,7 @@ ITableWorkspace_sptr DataProcessorOneLevelTreeManager::createDefaultWorkspace(
* @param ws :: the table workspace
* @param whitelistColumns :: the number of columns as specified in a whitelist
*/
-void DataProcessorOneLevelTreeManager::validateModel(
+void OneLevelTreeManager::validateModel(
ITableWorkspace_sptr ws, size_t whitelistColumns) const {
if (!ws)
@@ -502,7 +503,7 @@ void DataProcessorOneLevelTreeManager::validateModel(
* @param whitelistColumns : [input] The number of columns in the whitelist
* @throws std::runtime_error if the number of columns in the table is incorrect
*/
-bool DataProcessorOneLevelTreeManager::isValidModel(
+bool OneLevelTreeManager::isValidModel(
Workspace_sptr ws, size_t whitelistColumns) const {
try {
@@ -522,7 +523,7 @@ bool DataProcessorOneLevelTreeManager::isValidModel(
* @param parentColumn : the column index of the parent item (unused)
* @param value : the new value to populate the cell with
*/
-void DataProcessorOneLevelTreeManager::setCell(int row, int column,
+void OneLevelTreeManager::setCell(int row, int column,
int parentRow, int parentColumn,
const std::string &value) {
@@ -541,7 +542,7 @@ void DataProcessorOneLevelTreeManager::setCell(int row, int column,
* @param parentColumn : the column index of the parent item (unused)
* @return : the value in the cell as a string
*/
-std::string DataProcessorOneLevelTreeManager::getCell(int row, int column,
+std::string OneLevelTreeManager::getCell(int row, int column,
int parentRow,
int parentColumn) {
UNUSED_ARG(parentRow);
@@ -554,9 +555,9 @@ std::string DataProcessorOneLevelTreeManager::getCell(int row, int column,
* Gets the number of rows.
* @return : the number of rows.
*/
-int DataProcessorOneLevelTreeManager::getNumberOfRows() {
+int OneLevelTreeManager::getNumberOfRows() {
return m_model->rowCount();
}
-
+}
}
}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorPostprocessingAlgorithm.cpp b/qt/widgets/common/src/DataProcessorUI/PostprocessingAlgorithm.cpp
similarity index 69%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorPostprocessingAlgorithm.cpp
rename to qt/widgets/common/src/DataProcessorUI/PostprocessingAlgorithm.cpp
index 2d0c7b0dde153057eeb514d068cb36b57d0cf332..6ae0ce84eaa0a066675061d99e93c7331af518d3 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorPostprocessingAlgorithm.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/PostprocessingAlgorithm.cpp
@@ -1,17 +1,18 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor
* @param name : The name of the post-processing algorithm
* @param prefix : The prefix that will be added to the output workspace name
* @param blacklist : The list of properties we don't want to show
*/
-DataProcessorPostprocessingAlgorithm::DataProcessorPostprocessingAlgorithm(
+PostprocessingAlgorithm::PostprocessingAlgorithm(
const QString &name, const QString &prefix,
const std::set<QString> &blacklist)
- : DataProcessorProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
+ : ProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
auto inputStrListProperties = getInputStrListProperties();
if (inputStrListProperties.size() != 1)
@@ -35,36 +36,37 @@ DataProcessorPostprocessingAlgorithm::DataProcessorPostprocessingAlgorithm(
* @param prefix : The prefix that will be added to the output workspace name
* @param blacklist : The list of properties we don't want to show, as a string
*/
-DataProcessorPostprocessingAlgorithm::DataProcessorPostprocessingAlgorithm(
+PostprocessingAlgorithm::PostprocessingAlgorithm(
const QString &name, const QString &prefix, const QString &blacklist)
- : DataProcessorPostprocessingAlgorithm(name, prefix,
+ : PostprocessingAlgorithm(name, prefix,
convertStringToSet(blacklist)) {}
/** Default constructor: no algorithm defined */
-DataProcessorPostprocessingAlgorithm::DataProcessorPostprocessingAlgorithm()
+PostprocessingAlgorithm::PostprocessingAlgorithm()
: m_prefix(), m_inputProp(), m_outputProp() {}
// Destructor
-DataProcessorPostprocessingAlgorithm::~DataProcessorPostprocessingAlgorithm() {}
+PostprocessingAlgorithm::~PostprocessingAlgorithm() {}
// Returns the name of the input workspace property
-QString DataProcessorPostprocessingAlgorithm::inputProperty() const {
+QString PostprocessingAlgorithm::inputProperty() const {
return m_inputProp;
}
// Returns the name of the output workspace property
-QString DataProcessorPostprocessingAlgorithm::outputProperty() const {
+QString PostprocessingAlgorithm::outputProperty() const {
return m_outputProp;
}
// Returns the number of output workspace properties (currently only 1)
-size_t DataProcessorPostprocessingAlgorithm::numberOfOutputProperties() const {
+size_t PostprocessingAlgorithm::numberOfOutputProperties() const {
return 1;
}
// Returns the prefix that will be added to the output ws
-QString DataProcessorPostprocessingAlgorithm::prefix() const {
+QString PostprocessingAlgorithm::prefix() const {
return m_prefix;
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessMap.cpp b/qt/widgets/common/src/DataProcessorUI/PreprocessMap.cpp
similarity index 65%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessMap.cpp
rename to qt/widgets/common/src/DataProcessorUI/PreprocessMap.cpp
index fd9f7a5e20505aaee548d43d6398ad2b3c335ada..0d6fbc482d232a4961aa550e52c8dad1d0191f63 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessMap.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/PreprocessMap.cpp
@@ -1,14 +1,15 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor
*/
-DataProcessorPreprocessMap::DataProcessorPreprocessMap() : m_map() {}
+PreprocessMap::PreprocessMap() : m_map() {}
// Destructor
-DataProcessorPreprocessMap::~DataProcessorPreprocessMap() {}
+PreprocessMap::~PreprocessMap() {}
/** Add a column that needs pre-processing
* @param column :: the name of the column that needs pre-processing
@@ -19,21 +20,22 @@ DataProcessorPreprocessMap::~DataProcessorPreprocessMap() {}
* @param blacklist :: the list of algorithm properties to black list, as a
* string
*/
-void DataProcessorPreprocessMap::addElement(const QString &column,
+void PreprocessMap::addElement(const QString &column,
const QString &algorithm,
const QString &prefix,
const QString &blacklist) {
m_map[column] =
- DataProcessorPreprocessingAlgorithm(algorithm, prefix, blacklist);
+ PreprocessingAlgorithm(algorithm, prefix, blacklist);
}
/** Return a map where keys are columns and values pre-processing algorithms
* @return :: Pre-processing instructions as a map
*/
-std::map<QString, DataProcessorPreprocessingAlgorithm>
-DataProcessorPreprocessMap::asMap() const {
+std::map<QString, PreprocessingAlgorithm>
+PreprocessMap::asMap() const {
return m_map;
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessingAlgorithm.cpp b/qt/widgets/common/src/DataProcessorUI/PreprocessingAlgorithm.cpp
similarity index 70%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessingAlgorithm.cpp
rename to qt/widgets/common/src/DataProcessorUI/PreprocessingAlgorithm.cpp
index 9f1a3494aa0389faaadc3c2c5e51846098118d54..d500aef52e87c5922252ad041a9ea999efca0677 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorPreprocessingAlgorithm.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/PreprocessingAlgorithm.cpp
@@ -1,7 +1,8 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor
* @param name : The name of the pre-processing algorithm
@@ -9,10 +10,10 @@ namespace MantidWidgets {
* @param blacklist : The list of properties we don't want to show
* algorithm in the processed workspace's name
*/
-DataProcessorPreprocessingAlgorithm::DataProcessorPreprocessingAlgorithm(
+PreprocessingAlgorithm::PreprocessingAlgorithm(
const QString &name, const QString &prefix,
const std::set<QString> &blacklist)
- : DataProcessorProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
+ : ProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
auto inputWsProperties = getInputWsProperties();
@@ -41,35 +42,36 @@ DataProcessorPreprocessingAlgorithm::DataProcessorPreprocessingAlgorithm(
* @param blacklist : The list of properties we don't want to show, as a string
* algorithm in the processed workspace's name
*/
-DataProcessorPreprocessingAlgorithm::DataProcessorPreprocessingAlgorithm(
+PreprocessingAlgorithm::PreprocessingAlgorithm(
const QString &name, const QString &prefix, const QString &blacklist)
- : DataProcessorPreprocessingAlgorithm(name, prefix,
+ : PreprocessingAlgorithm(name, prefix,
convertStringToSet(blacklist)) {}
/** Default constructor: do nothing
*/
-DataProcessorPreprocessingAlgorithm::DataProcessorPreprocessingAlgorithm()
+PreprocessingAlgorithm::PreprocessingAlgorithm()
: m_prefix(), m_lhs(), m_rhs(), m_outProperty() {}
// Destructor
-DataProcessorPreprocessingAlgorithm::~DataProcessorPreprocessingAlgorithm() {}
+PreprocessingAlgorithm::~PreprocessingAlgorithm() {}
// Returns the name of the lhs input property
-QString DataProcessorPreprocessingAlgorithm::lhsProperty() const {
+QString PreprocessingAlgorithm::lhsProperty() const {
return m_lhs;
}
// Returns the name of the rhs input property
-QString DataProcessorPreprocessingAlgorithm::rhsProperty() const {
+QString PreprocessingAlgorithm::rhsProperty() const {
return m_rhs;
}
// Returns the name of the output property
-QString DataProcessorPreprocessingAlgorithm::outputProperty() const {
+QString PreprocessingAlgorithm::outputProperty() const {
return m_outProperty;
}
// Returns the prefix to add to the output property
-QString DataProcessorPreprocessingAlgorithm::prefix() const { return m_prefix; }
+QString PreprocessingAlgorithm::prefix() const { return m_prefix; }
+}
}
}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithm.cpp b/qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithm.cpp
similarity index 71%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithm.cpp
rename to qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithm.cpp
index 391e2d757e233aa63fc9f59357df74af9c5fe592..fc661c6797d7ae9e67b7432d384d9632039f4094 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithm.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithm.cpp
@@ -1,7 +1,8 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor
* @param name : The name of this algorithm
@@ -9,10 +10,10 @@ namespace MantidWidgets {
* workspaces' names
* @param blacklist : The list of properties we do not want to show
*/
-DataProcessorProcessingAlgorithm::DataProcessorProcessingAlgorithm(
+ProcessingAlgorithm::ProcessingAlgorithm(
const QString &name, const std::vector<QString> &prefix,
const std::set<QString> &blacklist)
- : DataProcessorProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
+ : ProcessingAlgorithmBase(name, blacklist), m_prefix(prefix) {
m_inputProperties = getInputWsProperties();
if (!m_inputProperties.size())
@@ -30,7 +31,7 @@ DataProcessorProcessingAlgorithm::DataProcessorProcessingAlgorithm(
// workspaces
if (m_outputProperties.size() != m_prefix.size()) {
throw std::invalid_argument(
- "Invalid DataProcessorProcessingAlgorithm. The number of prefixes "
+ "Invalid ProcessingAlgorithm. The number of prefixes "
"given must "
"match the number of output ws properties defined for this algorithm");
}
@@ -42,29 +43,29 @@ DataProcessorProcessingAlgorithm::DataProcessorProcessingAlgorithm(
* workspaces' names, as a string
* @param blacklist : The list of properties we do not want to show, as a string
*/
-DataProcessorProcessingAlgorithm::DataProcessorProcessingAlgorithm(
+ProcessingAlgorithm::ProcessingAlgorithm(
const QString &name, const QString &prefix, const QString &blacklist)
- : DataProcessorProcessingAlgorithm(name, convertStringToVector(prefix),
+ : ProcessingAlgorithm(name, convertStringToVector(prefix),
convertStringToSet(blacklist)) {}
/**
* Constructor
*/
-DataProcessorProcessingAlgorithm::DataProcessorProcessingAlgorithm()
+ProcessingAlgorithm::ProcessingAlgorithm()
: m_prefix(), m_inputProperties(), m_outputProperties() {}
// Destructor
-DataProcessorProcessingAlgorithm::~DataProcessorProcessingAlgorithm() {}
+ProcessingAlgorithm::~ProcessingAlgorithm() {}
// Returns the number of output properties
-size_t DataProcessorProcessingAlgorithm::numberOfOutputProperties() const {
+size_t ProcessingAlgorithm::numberOfOutputProperties() const {
return m_outputProperties.size();
}
/** Returns the prefix that will be added to the name of this output ws property
*@param index : The property index
*/
-QString DataProcessorProcessingAlgorithm::prefix(size_t index) const {
+QString ProcessingAlgorithm::prefix(size_t index) const {
return m_prefix[index];
}
@@ -72,7 +73,7 @@ QString DataProcessorProcessingAlgorithm::prefix(size_t index) const {
*@param index : The property index
*/
QString
-DataProcessorProcessingAlgorithm::inputPropertyName(size_t index) const {
+ProcessingAlgorithm::inputPropertyName(size_t index) const {
return m_inputProperties[index];
}
@@ -80,8 +81,9 @@ DataProcessorProcessingAlgorithm::inputPropertyName(size_t index) const {
*@param index : The property index
*/
QString
-DataProcessorProcessingAlgorithm::outputPropertyName(size_t index) const {
+ProcessingAlgorithm::outputPropertyName(size_t index) const {
return m_outputProperties[index];
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithmBase.cpp b/qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithmBase.cpp
similarity index 78%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithmBase.cpp
rename to qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithmBase.cpp
index a727d3cf007b695c2193725d6e08abc585672a1d..be5eb2551692b7f62edee6defa1db39f56b8e3a8 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorProcessingAlgorithmBase.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/ProcessingAlgorithmBase.cpp
@@ -1,12 +1,13 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h"
#include <QStringList>
#include <boost/algorithm/string.hpp>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor */
-DataProcessorProcessingAlgorithmBase::DataProcessorProcessingAlgorithmBase(
+ProcessingAlgorithmBase::ProcessingAlgorithmBase(
const QString &name, const std::set<QString> &blacklist)
: m_algName(name), m_blacklist(blacklist), m_inputWsProperties(),
m_inputStrListProperties(), m_OutputWsProperties() {
@@ -15,15 +16,15 @@ DataProcessorProcessingAlgorithmBase::DataProcessorProcessingAlgorithmBase(
}
/** Default constructor (nothing to do) */
-DataProcessorProcessingAlgorithmBase::DataProcessorProcessingAlgorithmBase()
+ProcessingAlgorithmBase::ProcessingAlgorithmBase()
: m_algName(), m_blacklist(), m_inputWsProperties(),
m_inputStrListProperties(), m_OutputWsProperties() {}
/** Destructor */
-DataProcessorProcessingAlgorithmBase::~DataProcessorProcessingAlgorithmBase() {}
+ProcessingAlgorithmBase::~ProcessingAlgorithmBase() {}
/** Counts the number of input/output workspace properties */
-void DataProcessorProcessingAlgorithmBase::countWsProperties() {
+void ProcessingAlgorithmBase::countWsProperties() {
Mantid::API::IAlgorithm_sptr alg =
Mantid::API::AlgorithmManager::Instance().create(m_algName.toStdString());
@@ -52,17 +53,17 @@ void DataProcessorProcessingAlgorithmBase::countWsProperties() {
// Returns the input workspaces properties defined for this algorithm
std::vector<QString>
-DataProcessorProcessingAlgorithmBase::getInputWsProperties() {
+ProcessingAlgorithmBase::getInputWsProperties() {
return m_inputWsProperties;
}
// Returns the input str list properties defined for this algorithm
std::vector<QString>
-DataProcessorProcessingAlgorithmBase::getInputStrListProperties() {
+ProcessingAlgorithmBase::getInputStrListProperties() {
return m_inputStrListProperties;
}
// Returns the output workspaces properties defined for this algorithm
std::vector<QString>
-DataProcessorProcessingAlgorithmBase::getOutputWsProperties() {
+ProcessingAlgorithmBase::getOutputWsProperties() {
return m_OutputWsProperties;
}
@@ -72,7 +73,7 @@ DataProcessorProcessingAlgorithmBase::getOutputWsProperties() {
* @return :: the string as a vector
*/
std::vector<QString>
-DataProcessorProcessingAlgorithmBase::convertStringToVector(
+ProcessingAlgorithmBase::convertStringToVector(
const QString &text) {
if (text.isEmpty())
@@ -87,7 +88,7 @@ DataProcessorProcessingAlgorithmBase::convertStringToVector(
* @return :: the string as a set
*/
std::set<QString>
-DataProcessorProcessingAlgorithmBase::convertStringToSet(const QString &text) {
+ProcessingAlgorithmBase::convertStringToSet(const QString &text) {
if (text.isEmpty())
return std::set<QString>();
@@ -96,5 +97,6 @@ DataProcessorProcessingAlgorithmBase::convertStringToSet(const QString &text) {
std::set<QString> out(items.begin(), items.end());
return out;
}
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/src/DataProcessorUI/QDataProcessorWidget.cpp b/qt/widgets/common/src/DataProcessorUI/QDataProcessorWidget.cpp
index b522f3b1cbcc9a59829561e64a4aeccb6398edfb..43a21513fa493dbd5bcab6fe12318490dcd28483 100644
--- a/qt/widgets/common/src/DataProcessorUI/QDataProcessorWidget.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/QDataProcessorWidget.cpp
@@ -1,6 +1,6 @@
#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorWidget.h"
#include "MantidQtWidgets/Common/MantidWidget.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCommandAdapter.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QtCommandAdapter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMainPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h"
#include "MantidQtWidgets/Common/HintingLineEditFactory.h"
@@ -16,6 +16,7 @@ const QString DataProcessorSettingsGroup =
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
using namespace Mantid::API;
/** Constructor
@@ -37,7 +38,7 @@ QDataProcessorWidget::QDataProcessorWidget(
* @param parent :: [input] The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist, QWidget *parent)
+ const WhiteList &whitelist, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(whitelist),
parent) {}
@@ -49,8 +50,8 @@ QDataProcessorWidget::QDataProcessorWidget(
* @param parent :: [input] The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &algorithm, QWidget *parent)
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &algorithm, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(whitelist,
algorithm),
@@ -63,9 +64,9 @@ QDataProcessorWidget::QDataProcessorWidget(
* @param parent :: [input] The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorPreprocessMap &preprocessMap,
- const DataProcessorProcessingAlgorithm &algorithm, QWidget *parent)
+ const WhiteList &whitelist,
+ const PreprocessMap &preprocessMap,
+ const ProcessingAlgorithm &algorithm, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(
whitelist, preprocessMap.asMap(), algorithm),
@@ -78,9 +79,9 @@ QDataProcessorWidget::QDataProcessorWidget(
* @param parent :: [input] The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &algorithm,
- const DataProcessorPostprocessingAlgorithm &postprocessor, QWidget *parent)
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &algorithm,
+ const PostprocessingAlgorithm &postprocessor, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(
whitelist, algorithm, postprocessor),
@@ -94,10 +95,10 @@ QDataProcessorWidget::QDataProcessorWidget(
* @param parent :: [input] The parent of this view
*/
QDataProcessorWidget::QDataProcessorWidget(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorPreprocessMap &preprocessMap,
- const DataProcessorProcessingAlgorithm &algorithm,
- const DataProcessorPostprocessingAlgorithm &postprocessor, QWidget *parent)
+ const WhiteList &whitelist,
+ const PreprocessMap &preprocessMap,
+ const ProcessingAlgorithm &algorithm,
+ const PostprocessingAlgorithm &postprocessor, QWidget *parent)
: QDataProcessorWidget(
Mantid::Kernel::make_unique<GenericDataProcessorPresenter>(
whitelist, preprocessMap.asMap(), algorithm, postprocessor),
@@ -134,12 +135,12 @@ void QDataProcessorWidget::createTable() {
* @param commands :: A vector of actions (commands)
*/
void QDataProcessorWidget::addActions(
- std::vector<std::unique_ptr<DataProcessorCommand>> commands) {
+ std::vector<std::unique_ptr<Command>> commands) {
// Put the commands in the toolbar
for (auto &command : commands) {
m_commands.push_back(
- Mantid::Kernel::make_unique<DataProcessorCommandAdapter>(
+ Mantid::Kernel::make_unique<QtCommandAdapter>(
ui.rowToolBar, std::move(command)));
}
@@ -176,7 +177,7 @@ Set a new model in the tableview
@param model : the model to be attached to the tableview
*/
void QDataProcessorWidget::showTable(
- boost::shared_ptr<AbstractDataProcessorTreeModel> model) {
+ boost::shared_ptr<AbstractTreeModel> model) {
m_model = model;
// So we can notify the presenter when the user updates the table
connect(m_model.get(),
@@ -614,12 +615,17 @@ void QDataProcessorWidget::transfer(const QList<QString> &runs) {
QStringList map = (*it).split(",");
for (auto jt = map.begin(); jt != map.end(); ++jt) {
QStringList pair = (*jt).split(":");
- if (pair.size() != 2) {
- giveUserCritical("Could not transfer runs to processing table",
- "Transfer failed");
+
+ // The entry can be of the for "key:value" or of the form "key:" if nothing is to be set in the column.
+ if (pair.size() == 1) {
+ runsMap[row][pair[0]] = "";
+ } else if (pair.size() == 2) {
+ runsMap[row][pair[0]] = pair[1];
+ } else {
+ giveUserCritical("Could not transfer runs to processing table",
+ "Transfer failed");
return;
}
- runsMap[row][pair[0]] = pair[1];
}
row++;
}
@@ -680,5 +686,6 @@ QString QDataProcessorWidget::getCurrentInstrument() const {
return ui.comboProcessInstrument->currentText();
}
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/src/DataProcessorUI/QDataProcessorOneLevelTreeModel.cpp b/qt/widgets/common/src/DataProcessorUI/QOneLevelTreeModel.cpp
similarity index 84%
rename from qt/widgets/common/src/DataProcessorUI/QDataProcessorOneLevelTreeModel.cpp
rename to qt/widgets/common/src/DataProcessorUI/QOneLevelTreeModel.cpp
index a555c9467a3ec7ee06a113571db414a711725a78..aff55171649f8b6e71cb7830a34ca03c134c7395 100644
--- a/qt/widgets/common/src/DataProcessorUI/QDataProcessorOneLevelTreeModel.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/QOneLevelTreeModel.cpp
@@ -1,20 +1,21 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
using namespace Mantid::API;
//----------------------------------------------------------------------------------------------
/** Constructor
@param tableWorkspace : The table workspace to wrap
-@param whitelist : A DataProcessorWhiteList containing the columns
+@param whitelist : A WhiteList containing the columns
*/
-QDataProcessorOneLevelTreeModel::QDataProcessorOneLevelTreeModel(
+QOneLevelTreeModel::QOneLevelTreeModel(
ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist)
- : AbstractDataProcessorTreeModel(tableWorkspace, whitelist) {
+ const WhiteList &whitelist)
+ : AbstractTreeModel(tableWorkspace, whitelist) {
if (tableWorkspace->columnCount() != m_whitelist.size())
throw std::invalid_argument(
@@ -24,14 +25,14 @@ QDataProcessorOneLevelTreeModel::QDataProcessorOneLevelTreeModel(
m_rows = std::vector<bool>(tableWorkspace->rowCount(), false);
}
-QDataProcessorOneLevelTreeModel::~QDataProcessorOneLevelTreeModel() {}
+QOneLevelTreeModel::~QOneLevelTreeModel() {}
/** Returns data for specified index
* @param index : The index
* @param role : The role
* @return : The data associated with the given index
*/
-QVariant QDataProcessorOneLevelTreeModel::data(const QModelIndex &index,
+QVariant QOneLevelTreeModel::data(const QModelIndex &index,
int role) const {
if (!index.isValid())
return QVariant();
@@ -56,7 +57,7 @@ QVariant QDataProcessorOneLevelTreeModel::data(const QModelIndex &index,
* @param role : The role
* @return : The column name
*/
-QVariant QDataProcessorOneLevelTreeModel::headerData(
+QVariant QOneLevelTreeModel::headerData(
int section, Qt::Orientation orientation, int role) const {
if (orientation == Qt::Horizontal && role == Qt::DisplayRole)
@@ -72,7 +73,7 @@ QVariant QDataProcessorOneLevelTreeModel::headerData(
* @return : The index of the element
*/
QModelIndex
-QDataProcessorOneLevelTreeModel::index(int row, int column,
+QOneLevelTreeModel::index(int row, int column,
const QModelIndex &parent) const {
UNUSED_ARG(parent);
@@ -84,7 +85,7 @@ QDataProcessorOneLevelTreeModel::index(int row, int column,
* @param parent : The parent of this item
* @return : The 'processed' status
*/
-bool QDataProcessorOneLevelTreeModel::isProcessed(
+bool QOneLevelTreeModel::isProcessed(
int position, const QModelIndex &parent) const {
// No parent items exists, this should not be possible
@@ -106,7 +107,7 @@ bool QDataProcessorOneLevelTreeModel::isProcessed(
* @return : Its parent
*/
QModelIndex
-QDataProcessorOneLevelTreeModel::parent(const QModelIndex &index) const {
+QOneLevelTreeModel::parent(const QModelIndex &index) const {
UNUSED_ARG(index);
return QModelIndex();
@@ -118,7 +119,7 @@ QDataProcessorOneLevelTreeModel::parent(const QModelIndex &index) const {
* @param parent : The parent of the set of elements
* @return : Boolean indicating whether the insertion was successful or not
*/
-bool QDataProcessorOneLevelTreeModel::insertRows(int position, int count,
+bool QOneLevelTreeModel::insertRows(int position, int count,
const QModelIndex &parent) {
if (parent.isValid())
return false;
@@ -151,7 +152,7 @@ bool QDataProcessorOneLevelTreeModel::insertRows(int position, int count,
* @return : Boolean indicating whether the elements were removed successfully or
* not
*/
-bool QDataProcessorOneLevelTreeModel::removeRows(int position, int count,
+bool QOneLevelTreeModel::removeRows(int position, int count,
const QModelIndex &parent) {
if (parent.isValid())
@@ -182,7 +183,7 @@ bool QDataProcessorOneLevelTreeModel::removeRows(int position, int count,
* @param parent : The parent item
* @return : The number of rows
*/
-int QDataProcessorOneLevelTreeModel::rowCount(const QModelIndex &parent) const {
+int QOneLevelTreeModel::rowCount(const QModelIndex &parent) const {
if (parent.isValid())
return 0;
@@ -195,7 +196,7 @@ int QDataProcessorOneLevelTreeModel::rowCount(const QModelIndex &parent) const {
* @param value : the new value
* @param role : the role
*/
-bool QDataProcessorOneLevelTreeModel::setData(const QModelIndex &index,
+bool QOneLevelTreeModel::setData(const QModelIndex &index,
const QVariant &value, int role) {
if (role != Qt::EditRole)
@@ -221,7 +222,7 @@ bool QDataProcessorOneLevelTreeModel::setData(const QModelIndex &index,
* @param parent : The parent of this row
* @return : Boolean indicating whether process status was set successfully
*/
-bool QDataProcessorOneLevelTreeModel::setProcessed(bool processed, int position,
+bool QOneLevelTreeModel::setProcessed(bool processed, int position,
const QModelIndex &parent) {
// No parent items exists, this should not be possible
@@ -243,9 +244,10 @@ bool QDataProcessorOneLevelTreeModel::setProcessed(bool processed, int position,
* @return :: the underlying table workspace
*/
ITableWorkspace_sptr
-QDataProcessorOneLevelTreeModel::getTableWorkspace() const {
+QOneLevelTreeModel::getTableWorkspace() const {
return m_tWS;
}
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/src/DataProcessorUI/QDataProcessorTwoLevelTreeModel.cpp b/qt/widgets/common/src/DataProcessorUI/QTwoLevelTreeModel.cpp
similarity index 90%
rename from qt/widgets/common/src/DataProcessorUI/QDataProcessorTwoLevelTreeModel.cpp
rename to qt/widgets/common/src/DataProcessorUI/QTwoLevelTreeModel.cpp
index 09cf5110a7ced9942d16d55330a24d31846f93f1..411515edac1a110fbb827027ed33c5cb45e25285 100644
--- a/qt/widgets/common/src/DataProcessorUI/QDataProcessorTwoLevelTreeModel.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/QTwoLevelTreeModel.cpp
@@ -1,21 +1,22 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
using namespace Mantid::API;
//----------------------------------------------------------------------------------------------
/** Constructor
@param tableWorkspace : The table workspace to wrap
-@param whitelist : A DataProcessorWhiteList containing information about the
+@param whitelist : A WhiteList containing information about the
columns, their indices and descriptions
*/
-QDataProcessorTwoLevelTreeModel::QDataProcessorTwoLevelTreeModel(
+QTwoLevelTreeModel::QTwoLevelTreeModel(
ITableWorkspace_sptr tableWorkspace,
- const DataProcessorWhiteList &whitelist)
- : AbstractDataProcessorTreeModel(tableWorkspace, whitelist) {
+ const WhiteList &whitelist)
+ : AbstractTreeModel(tableWorkspace, whitelist) {
if (tableWorkspace->columnCount() != m_whitelist.size() + 1)
throw std::invalid_argument("Invalid table workspace. Table workspace must "
@@ -29,14 +30,14 @@ QDataProcessorTwoLevelTreeModel::QDataProcessorTwoLevelTreeModel(
setupModelData(tableWorkspace);
}
-QDataProcessorTwoLevelTreeModel::~QDataProcessorTwoLevelTreeModel() {}
+QTwoLevelTreeModel::~QTwoLevelTreeModel() {}
/** Returns data for specified index
* @param index : The index
* @param role : The role
* @return : The data associated with the given index
*/
-QVariant QDataProcessorTwoLevelTreeModel::data(const QModelIndex &index,
+QVariant QTwoLevelTreeModel::data(const QModelIndex &index,
int role) const {
if (!index.isValid())
@@ -79,7 +80,7 @@ QVariant QDataProcessorTwoLevelTreeModel::data(const QModelIndex &index,
* @param role : The role
* @return : The column name
*/
-QVariant QDataProcessorTwoLevelTreeModel::headerData(
+QVariant QTwoLevelTreeModel::headerData(
int section, Qt::Orientation orientation, int role) const {
if (orientation == Qt::Horizontal && role == Qt::DisplayRole)
@@ -98,7 +99,7 @@ QVariant QDataProcessorTwoLevelTreeModel::headerData(
* @return : The index of the element
*/
QModelIndex
-QDataProcessorTwoLevelTreeModel::index(int row, int column,
+QTwoLevelTreeModel::index(int row, int column,
const QModelIndex &parent) const {
return parent.isValid() ? createIndex(row, column, parent.row())
@@ -110,7 +111,7 @@ QDataProcessorTwoLevelTreeModel::index(int row, int column,
* @param parent : The parent of this item
* @return : The 'processed' status
*/
-bool QDataProcessorTwoLevelTreeModel::isProcessed(
+bool QTwoLevelTreeModel::isProcessed(
int position, const QModelIndex &parent) const {
if (!parent.isValid()) {
@@ -141,7 +142,7 @@ bool QDataProcessorTwoLevelTreeModel::isProcessed(
* @return : Its parent
*/
QModelIndex
-QDataProcessorTwoLevelTreeModel::parent(const QModelIndex &index) const {
+QTwoLevelTreeModel::parent(const QModelIndex &index) const {
int internalIdInt = int(index.internalId());
@@ -154,7 +155,7 @@ QDataProcessorTwoLevelTreeModel::parent(const QModelIndex &index) const {
* @param parent : The parent of the set of elements
* @return : Boolean indicating whether the insertion was successful or not
*/
-bool QDataProcessorTwoLevelTreeModel::insertRows(int position, int count,
+bool QTwoLevelTreeModel::insertRows(int position, int count,
const QModelIndex &parent) {
bool success = false;
@@ -176,7 +177,7 @@ bool QDataProcessorTwoLevelTreeModel::insertRows(int position, int count,
* @param parent : The parent index (as integer)
* @return : Boolean indicating if the insertion was successful
*/
-bool QDataProcessorTwoLevelTreeModel::insertRows(int position, int count,
+bool QTwoLevelTreeModel::insertRows(int position, int count,
int parent) {
// Parent does not exist
@@ -236,7 +237,7 @@ bool QDataProcessorTwoLevelTreeModel::insertRows(int position, int count,
* @param count : The number of groups to insert
* @return : True if insertion was successful, false otherwise
*/
-bool QDataProcessorTwoLevelTreeModel::insertGroups(int position, int count) {
+bool QTwoLevelTreeModel::insertGroups(int position, int count) {
// Invalid position
if (position < 0 || position > rowCount())
@@ -274,7 +275,7 @@ bool QDataProcessorTwoLevelTreeModel::insertGroups(int position, int count) {
* @return : Boolean indicating whether the elements were removed successfully or
* not
*/
-bool QDataProcessorTwoLevelTreeModel::removeRows(int position, int count,
+bool QTwoLevelTreeModel::removeRows(int position, int count,
const QModelIndex &parent) {
bool success = false;
@@ -295,7 +296,7 @@ bool QDataProcessorTwoLevelTreeModel::removeRows(int position, int count,
* @param count : The number of groups to remove
* @return : Boolean indicating whether or not groups were removed
*/
-bool QDataProcessorTwoLevelTreeModel::removeGroups(int position, int count) {
+bool QTwoLevelTreeModel::removeGroups(int position, int count) {
// Invalid position
if (position < 0 || position >= rowCount())
@@ -346,7 +347,7 @@ bool QDataProcessorTwoLevelTreeModel::removeGroups(int position, int count) {
* @param parent : The parent item
* @return : Boolean indicating whether or not rows were removed
*/
-bool QDataProcessorTwoLevelTreeModel::removeRows(int position, int count,
+bool QTwoLevelTreeModel::removeRows(int position, int count,
int parent) {
// Parent does not exist
@@ -399,7 +400,7 @@ bool QDataProcessorTwoLevelTreeModel::removeRows(int position, int count,
* @param parent : The parent item
* @return : The number of rows
*/
-int QDataProcessorTwoLevelTreeModel::rowCount(const QModelIndex &parent) const {
+int QTwoLevelTreeModel::rowCount(const QModelIndex &parent) const {
// We are counting the number of groups
if (!parent.isValid())
@@ -422,7 +423,7 @@ int QDataProcessorTwoLevelTreeModel::rowCount(const QModelIndex &parent) const {
* @param value : the new value
* @param role : the role
*/
-bool QDataProcessorTwoLevelTreeModel::setData(const QModelIndex &index,
+bool QTwoLevelTreeModel::setData(const QModelIndex &index,
const QVariant &value, int role) {
if (role != Qt::EditRole)
@@ -473,7 +474,7 @@ bool QDataProcessorTwoLevelTreeModel::setData(const QModelIndex &index,
* whitelist
* @param table : A table workspace containing the data
*/
-void QDataProcessorTwoLevelTreeModel::setupModelData(
+void QTwoLevelTreeModel::setupModelData(
ITableWorkspace_sptr table) {
int nrows = static_cast<int>(table->rowCount());
@@ -501,7 +502,7 @@ void QDataProcessorTwoLevelTreeModel::setupModelData(
* @return :: the underlying table workspace
*/
ITableWorkspace_sptr
-QDataProcessorTwoLevelTreeModel::getTableWorkspace() const {
+QTwoLevelTreeModel::getTableWorkspace() const {
return m_tWS;
}
@@ -511,7 +512,7 @@ QDataProcessorTwoLevelTreeModel::getTableWorkspace() const {
* @param parent : The parent of this item
* @return : Boolean indicating whether process status was set successfully
*/
-bool QDataProcessorTwoLevelTreeModel::setProcessed(bool processed, int position,
+bool QTwoLevelTreeModel::setProcessed(bool processed, int position,
const QModelIndex &parent) {
if (!parent.isValid()) {
@@ -535,5 +536,6 @@ bool QDataProcessorTwoLevelTreeModel::setProcessed(bool processed, int position,
return true;
}
+} // namespace DataProcessor
} // namespace MantidWidgets
} // namespace Mantid
diff --git a/qt/widgets/common/src/DataProcessorUI/QtDataProcessorOptionsDialog.cpp b/qt/widgets/common/src/DataProcessorUI/QtDataProcessorOptionsDialog.cpp
index 4c6b09c28d5ff177a839ca16fa13d8a73eb9a74b..e95e51ac3865084f2d5ff861aba29146ffedb849 100644
--- a/qt/widgets/common/src/DataProcessorUI/QtDataProcessorOptionsDialog.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/QtDataProcessorOptionsDialog.cpp
@@ -5,6 +5,7 @@
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Constructor */
QtDataProcessorOptionsDialog::QtDataProcessorOptionsDialog(
DataProcessorView *view, DataProcessorPresenter *presenter)
@@ -90,5 +91,6 @@ void QtDataProcessorOptionsDialog::loadOptions() {
}
}
+} // DataProcessor
} // MantidWidgets
} // MantidQt
diff --git a/qt/widgets/common/src/DataProcessorUI/ToStdStringMap.cpp b/qt/widgets/common/src/DataProcessorUI/ToStdStringMap.cpp
index 23fba70324f6e744b8d072feecdb26ccdfc2ac00..79b2dd820e08de393d25c50d86afb9c6fad11c85 100644
--- a/qt/widgets/common/src/DataProcessorUI/ToStdStringMap.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/ToStdStringMap.cpp
@@ -1,6 +1,7 @@
#include "MantidQtMantidWidgets/DataProcessorUI/ToStdStringMap.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
std::map<std::string, std::string> EXPORT_OPT_MANTIDQT_MANTIDWIDGETS
toStdStringMap(std::map<QString, QString> const &inMap) {
std::map<std::string, std::string> out;
@@ -14,3 +15,4 @@ toStdStringMap(std::map<QString, QString> const &inMap) {
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorTwoLevelTreeManager.cpp b/qt/widgets/common/src/DataProcessorUI/TwoLevelTreeManager.cpp
similarity index 71%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorTwoLevelTreeManager.cpp
rename to qt/widgets/common/src/DataProcessorUI/TwoLevelTreeManager.cpp
index 5ac26a01fdc7d54962f90e205e14d94a26729e94..cc63823f6cc4c3258285cb1b2d035b252bb3e29a 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorTwoLevelTreeManager.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/TwoLevelTreeManager.cpp
@@ -1,33 +1,33 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h"
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h"
+#include "MantidQtWidgets/Common/ParseNumerics.h"
#include "MantidQtWidgets/Common/DataProcessorUI/ToStdStringMap.h"
#include "MantidKernel/make_unique.h"
#include <boost/algorithm/string/classification.hpp>
@@ -40,6 +40,7 @@ using namespace MantidQt::MantidWidgets;
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/**
* Constructor
@@ -47,78 +48,78 @@ namespace MantidWidgets {
* @param table :: a table workspace
* @param whitelist :: a whitelist
*/
-DataProcessorTwoLevelTreeManager::DataProcessorTwoLevelTreeManager(
+TwoLevelTreeManager::TwoLevelTreeManager(
DataProcessorPresenter *presenter, Mantid::API::ITableWorkspace_sptr table,
- const DataProcessorWhiteList &whitelist)
+ const WhiteList &whitelist)
: m_presenter(presenter),
- m_model(new QDataProcessorTwoLevelTreeModel(table, whitelist)) {}
+ m_model(new QTwoLevelTreeModel(table, whitelist)) {}
/**
* Constructor (no table workspace given)
* @param presenter :: [input] The DataProcessor presenter
* @param whitelist :: [input] A whitelist containing the number of columns
*/
-DataProcessorTwoLevelTreeManager::DataProcessorTwoLevelTreeManager(
- DataProcessorPresenter *presenter, const DataProcessorWhiteList &whitelist)
- : DataProcessorTwoLevelTreeManager(
+TwoLevelTreeManager::TwoLevelTreeManager(
+ DataProcessorPresenter *presenter, const WhiteList &whitelist)
+ : TwoLevelTreeManager(
presenter, createDefaultWorkspace(whitelist), whitelist) {}
/**
* Destructor
*/
-DataProcessorTwoLevelTreeManager::~DataProcessorTwoLevelTreeManager() {}
+TwoLevelTreeManager::~TwoLevelTreeManager() {}
/**
* Publishes a list of available commands
* @return : The list of available commands
*/
-std::vector<DataProcessorCommand_uptr>
-DataProcessorTwoLevelTreeManager::publishCommands() {
+std::vector<Command_uptr>
+TwoLevelTreeManager::publishCommands() {
- std::vector<DataProcessorCommand_uptr> commands;
+ std::vector<Command_uptr> commands;
- addCommand(commands, make_unique<DataProcessorOpenTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorNewTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSaveTableCommand>(m_presenter));
+ addCommand(commands, make_unique<OpenTableCommand>(m_presenter));
+ addCommand(commands, make_unique<NewTableCommand>(m_presenter));
+ addCommand(commands, make_unique<SaveTableCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorSaveTableAsCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
+ make_unique<SaveTableAsCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorImportTableCommand>(m_presenter));
+ make_unique<ImportTableCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorExportTableCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorOptionsCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorProcessCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorPauseCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorExpandCommand>(m_presenter));
+ make_unique<ExportTableCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<OptionsCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<ProcessCommand>(m_presenter));
+ addCommand(commands, make_unique<PauseCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<ExpandCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorExpandGroupsCommand>(m_presenter));
+ make_unique<ExpandGroupsCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorCollapseGroupsCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorPlotRowCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorPlotGroupCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorAppendRowCommand>(m_presenter));
+ make_unique<CollapseGroupsCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<PlotRowCommand>(m_presenter));
+ addCommand(commands, make_unique<PlotGroupCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<AppendRowCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorAppendGroupCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorGroupRowsCommand>(m_presenter));
+ make_unique<AppendGroupCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<GroupRowsCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorCopySelectedCommand>(m_presenter));
+ make_unique<CopySelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorCutSelectedCommand>(m_presenter));
+ make_unique<CutSelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorPasteSelectedCommand>(m_presenter));
+ make_unique<PasteSelectedCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorClearSelectedCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorSeparatorCommand>(m_presenter));
- addCommand(commands, make_unique<DataProcessorDeleteRowCommand>(m_presenter));
+ make_unique<ClearSelectedCommand>(m_presenter));
+ addCommand(commands, make_unique<SeparatorCommand>(m_presenter));
+ addCommand(commands, make_unique<DeleteRowCommand>(m_presenter));
addCommand(commands,
- make_unique<DataProcessorDeleteGroupCommand>(m_presenter));
+ make_unique<DeleteGroupCommand>(m_presenter));
return commands;
}
@@ -127,7 +128,7 @@ Insert a row after the last selected row. If a group was selected, the new row
is appended to that group. If nothing was selected, the new row is appended to
the last group in the table.
*/
-void DataProcessorTwoLevelTreeManager::appendRow() {
+void TwoLevelTreeManager::appendRow() {
auto selectedGroups = m_presenter->selectedParents();
auto selectedRows = m_presenter->selectedChildren();
@@ -164,7 +165,7 @@ void DataProcessorTwoLevelTreeManager::appendRow() {
}
}
-void DataProcessorTwoLevelTreeManager::appendGroup() {
+void TwoLevelTreeManager::appendGroup() {
auto selectedGroups = m_presenter->selectedParents();
if (selectedGroups.empty()) {
@@ -179,7 +180,7 @@ void DataProcessorTwoLevelTreeManager::appendGroup() {
/**
Delete row(s) from the model
*/
-void DataProcessorTwoLevelTreeManager::deleteRow() {
+void TwoLevelTreeManager::deleteRow() {
auto selectedRows = m_presenter->selectedChildren();
for (auto it = selectedRows.rbegin(); it != selectedRows.rend(); ++it) {
@@ -194,7 +195,7 @@ void DataProcessorTwoLevelTreeManager::deleteRow() {
/**
Delete group(s) from the model
*/
-void DataProcessorTwoLevelTreeManager::deleteGroup() {
+void TwoLevelTreeManager::deleteGroup() {
auto selectedGroups = m_presenter->selectedParents();
for (auto group = selectedGroups.rbegin(); group != selectedGroups.rend();
++group) {
@@ -205,7 +206,7 @@ void DataProcessorTwoLevelTreeManager::deleteGroup() {
/**
Group rows together
*/
-void DataProcessorTwoLevelTreeManager::groupRows() {
+void TwoLevelTreeManager::groupRows() {
// Find if rows belong to the same group
// If they do, do nothing
@@ -255,7 +256,7 @@ void DataProcessorTwoLevelTreeManager::groupRows() {
* selected rows belong)
* @return :: Groups containing selected rows
*/
-std::set<int> DataProcessorTwoLevelTreeManager::expandSelection() {
+std::set<int> TwoLevelTreeManager::expandSelection() {
std::set<int> groupIds;
auto items = m_presenter->selectedChildren();
@@ -269,7 +270,7 @@ std::set<int> DataProcessorTwoLevelTreeManager::expandSelection() {
}
/** Clear the currently selected rows */
-void DataProcessorTwoLevelTreeManager::clearSelected() {
+void TwoLevelTreeManager::clearSelected() {
const auto selectedRows = m_presenter->selectedChildren();
@@ -285,7 +286,7 @@ void DataProcessorTwoLevelTreeManager::clearSelected() {
}
/** Return the currently selected rows as a string */
-QString DataProcessorTwoLevelTreeManager::copySelected() {
+QString TwoLevelTreeManager::copySelected() {
QStringList lines;
const auto selectedRows = m_presenter->selectedChildren();
@@ -317,7 +318,7 @@ QString DataProcessorTwoLevelTreeManager::copySelected() {
* append new rows
* @param text :: Selected rows to paste as a string
*/
-void DataProcessorTwoLevelTreeManager::pasteSelected(const QString &text) {
+void TwoLevelTreeManager::pasteSelected(const QString &text) {
if (text.isEmpty())
return;
@@ -372,10 +373,10 @@ void DataProcessorTwoLevelTreeManager::pasteSelected(const QString &text) {
/** Opens a blank table
* @param whitelist :: A whitelist with the columns for the new table
*/
-void DataProcessorTwoLevelTreeManager::newTable(
- const DataProcessorWhiteList &whitelist) {
+void TwoLevelTreeManager::newTable(
+ const WhiteList &whitelist) {
- m_model.reset(new QDataProcessorTwoLevelTreeModel(
+ m_model.reset(new QTwoLevelTreeModel(
createDefaultWorkspace(whitelist), whitelist));
}
@@ -383,11 +384,11 @@ void DataProcessorTwoLevelTreeManager::newTable(
* @param table :: A table to open
* @param whitelist :: A whitelist with the columns for the new table
*/
-void DataProcessorTwoLevelTreeManager::newTable(
- ITableWorkspace_sptr table, const DataProcessorWhiteList &whitelist) {
+void TwoLevelTreeManager::newTable(
+ ITableWorkspace_sptr table, const WhiteList &whitelist) {
if (isValidModel(table, whitelist.size())) {
- m_model.reset(new QDataProcessorTwoLevelTreeModel(table, whitelist));
+ m_model.reset(new QTwoLevelTreeModel(table, whitelist));
} else
throw std::runtime_error("Selected table has the incorrect number of "
"columns to be used as a data processor table.");
@@ -398,7 +399,7 @@ Inserts a new row to the specified group in the specified location
@param groupIndex :: The index to insert the new row after
@param rowIndex :: The index to insert the new row after
*/
-void DataProcessorTwoLevelTreeManager::insertRow(int groupIndex, int rowIndex) {
+void TwoLevelTreeManager::insertRow(int groupIndex, int rowIndex) {
m_model->insertRow(rowIndex, m_model->index(groupIndex, 0));
}
@@ -407,7 +408,7 @@ void DataProcessorTwoLevelTreeManager::insertRow(int groupIndex, int rowIndex) {
Inserts a new group in the specified location
@param groupIndex :: The index to insert the new row after
*/
-void DataProcessorTwoLevelTreeManager::insertGroup(int groupIndex) {
+void TwoLevelTreeManager::insertGroup(int groupIndex) {
m_model->insertRow(groupIndex);
}
@@ -416,7 +417,7 @@ void DataProcessorTwoLevelTreeManager::insertGroup(int groupIndex) {
@param group : The group to count the rows of
@returns The number of rows in the group
*/
-int DataProcessorTwoLevelTreeManager::numRowsInGroup(int group) const {
+int TwoLevelTreeManager::numRowsInGroup(int group) const {
return m_model->rowCount(m_model->index(group, 0));
}
@@ -427,7 +428,7 @@ int DataProcessorTwoLevelTreeManager::numRowsInGroup(int group) const {
* @return :: Selected data as a map where keys are units of post-processing and
* values are
*/
-TreeData DataProcessorTwoLevelTreeManager::selectedData(bool prompt) {
+TreeData TwoLevelTreeManager::selectedData(bool prompt) {
TreeData selectedData;
@@ -524,9 +525,9 @@ TreeData DataProcessorTwoLevelTreeManager::selectedData(bool prompt) {
* @param runs :: [input] Data to transfer as a vector of maps
* @param whitelist :: [input] Whitelist containing number of columns
*/
-void DataProcessorTwoLevelTreeManager::transfer(
+void TwoLevelTreeManager::transfer(
const std::vector<std::map<QString, QString>> &runs,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws = m_model->getTableWorkspace();
@@ -565,7 +566,7 @@ void DataProcessorTwoLevelTreeManager::transfer(
}
}
- m_model.reset(new QDataProcessorTwoLevelTreeModel(ws, whitelist));
+ m_model.reset(new QTwoLevelTreeModel(ws, whitelist));
}
/** Updates a row with new data
@@ -573,7 +574,7 @@ void DataProcessorTwoLevelTreeManager::transfer(
* @param child :: the row
* @param data :: the data
*/
-void DataProcessorTwoLevelTreeManager::update(int parent, int child,
+void TwoLevelTreeManager::update(int parent, int child,
const QStringList &data) {
if (static_cast<int>(data.size()) != m_model->columnCount())
@@ -587,7 +588,7 @@ void DataProcessorTwoLevelTreeManager::update(int parent, int child,
/** Gets the number of groups in the table
* @return : Number of groups
*/
-int DataProcessorTwoLevelTreeManager::rowCount() const {
+int TwoLevelTreeManager::rowCount() const {
return m_model->rowCount();
}
@@ -595,7 +596,7 @@ int DataProcessorTwoLevelTreeManager::rowCount() const {
* @param parent : Index of the parent group
* @return : Number of rows of a group
*/
-int DataProcessorTwoLevelTreeManager::rowCount(int parent) const {
+int TwoLevelTreeManager::rowCount(int parent) const {
return m_model->rowCount(m_model->index(parent, 0));
}
@@ -603,7 +604,7 @@ int DataProcessorTwoLevelTreeManager::rowCount(int parent) const {
* @param position : The row index
* @return : 'process' status
*/
-bool DataProcessorTwoLevelTreeManager::isProcessed(int position) const {
+bool TwoLevelTreeManager::isProcessed(int position) const {
return m_model->isProcessed(position);
}
@@ -612,7 +613,7 @@ bool DataProcessorTwoLevelTreeManager::isProcessed(int position) const {
* @param parent : The parent of the row
* @return : 'process' status
*/
-bool DataProcessorTwoLevelTreeManager::isProcessed(int position,
+bool TwoLevelTreeManager::isProcessed(int position,
int parent) const {
return m_model->isProcessed(position, m_model->index(parent, 0));
}
@@ -621,7 +622,7 @@ bool DataProcessorTwoLevelTreeManager::isProcessed(int position,
* @param processed : True to set group as processed, false to set unprocessed
* @param position : The index of the group to be set
*/
-void DataProcessorTwoLevelTreeManager::setProcessed(bool processed,
+void TwoLevelTreeManager::setProcessed(bool processed,
int position) {
m_model->setProcessed(processed, position);
}
@@ -631,7 +632,7 @@ void DataProcessorTwoLevelTreeManager::setProcessed(bool processed,
* @param position : The index of the row to be set
* @param parent : The parent of the row
*/
-void DataProcessorTwoLevelTreeManager::setProcessed(bool processed,
+void TwoLevelTreeManager::setProcessed(bool processed,
int position, int parent) {
m_model->setProcessed(processed, position, m_model->index(parent, 0));
}
@@ -639,15 +640,15 @@ void DataProcessorTwoLevelTreeManager::setProcessed(bool processed,
/** Return a shared ptr to the model
* @return :: A shared ptr to the model
*/
-boost::shared_ptr<AbstractDataProcessorTreeModel>
-DataProcessorTwoLevelTreeManager::getModel() {
+boost::shared_ptr<AbstractTreeModel>
+TwoLevelTreeManager::getModel() {
return m_model;
}
/** Returns the table workspace containing the data
* @return :: The table workspace
*/
-ITableWorkspace_sptr DataProcessorTwoLevelTreeManager::getTableWorkspace() {
+ITableWorkspace_sptr TwoLevelTreeManager::getTableWorkspace() {
return m_model->getTableWorkspace();
}
@@ -657,8 +658,8 @@ ITableWorkspace_sptr DataProcessorTwoLevelTreeManager::getTableWorkspace() {
* @param whitelist :: The whitelist that will be used to create a new table
* @return : A default table
*/
-ITableWorkspace_sptr DataProcessorTwoLevelTreeManager::createDefaultWorkspace(
- const DataProcessorWhiteList &whitelist) {
+ITableWorkspace_sptr TwoLevelTreeManager::createDefaultWorkspace(
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws =
Mantid::API::WorkspaceFactory::Instance().createTable();
@@ -680,7 +681,7 @@ ITableWorkspace_sptr DataProcessorTwoLevelTreeManager::createDefaultWorkspace(
* @param ws :: the table workspace
* @param whitelistColumns :: the number of columns as specified in a whitelist
*/
-void DataProcessorTwoLevelTreeManager::validateModel(
+void TwoLevelTreeManager::validateModel(
ITableWorkspace_sptr ws, size_t whitelistColumns) const {
if (!ws)
@@ -708,7 +709,7 @@ void DataProcessorTwoLevelTreeManager::validateModel(
* @param whitelistColumns : [input] The number of columns in the whitelist
* @throws std::runtime_error if the number of columns in the table is incorrect
*/
-bool DataProcessorTwoLevelTreeManager::isValidModel(
+bool TwoLevelTreeManager::isValidModel(
Workspace_sptr ws, size_t whitelistColumns) const {
try {
@@ -720,7 +721,6 @@ bool DataProcessorTwoLevelTreeManager::isValidModel(
return true;
}
-
/** Sets a value in a cell
*
* @param row : the row index
@@ -729,7 +729,7 @@ bool DataProcessorTwoLevelTreeManager::isValidModel(
* @param parentColumn : the column index of the parent item
* @param value : the new value to populate the cell with
*/
-void DataProcessorTwoLevelTreeManager::setCell(int row, int column,
+void TwoLevelTreeManager::setCell(int row, int column,
int parentRow, int parentColumn,
const std::string &value) {
@@ -746,7 +746,7 @@ void DataProcessorTwoLevelTreeManager::setCell(int row, int column,
* @param parentColumn : the column index of the parent item (unused)
* @return : the value in the cell as a string
*/
-std::string DataProcessorTwoLevelTreeManager::getCell(int row, int column,
+std::string TwoLevelTreeManager::getCell(int row, int column,
int parentRow,
int parentColumn) {
@@ -760,9 +760,9 @@ std::string DataProcessorTwoLevelTreeManager::getCell(int row, int column,
* Get number of rows.
* @return the number of rows.
*/
-int DataProcessorTwoLevelTreeManager::getNumberOfRows() {
+int TwoLevelTreeManager::getNumberOfRows() {
return m_model->rowCount();
}
-
+}
}
}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorVectorString.cpp b/qt/widgets/common/src/DataProcessorUI/VectorString.cpp
similarity index 74%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorVectorString.cpp
rename to qt/widgets/common/src/DataProcessorUI/VectorString.cpp
index a8eb72b3067e6fe7768998fa946007e3c7527965..a2f2ba8438508057162fc8e6b34aef7e24392aeb 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorVectorString.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/VectorString.cpp
@@ -1,6 +1,7 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/VectorString.h"
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Create a comma separated list of items from a QStringList.
@param items : The strings in the list.
@return The comma separated list of items.
@@ -8,3 +9,4 @@ namespace MantidWidgets {
QString vectorString(const QStringList &items) { return items.join(", "); }
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/DataProcessorWhiteList.cpp b/qt/widgets/common/src/DataProcessorUI/WhiteList.cpp
similarity index 77%
rename from qt/widgets/common/src/DataProcessorUI/DataProcessorWhiteList.cpp
rename to qt/widgets/common/src/DataProcessorUI/WhiteList.cpp
index f7af09861e55c07f412b438f6fa3953318c3dd5f..c61cd9a7721ebb513c47b69986226c9bc60bcc27 100644
--- a/qt/widgets/common/src/DataProcessorUI/DataProcessorWhiteList.cpp
+++ b/qt/widgets/common/src/DataProcessorUI/WhiteList.cpp
@@ -1,9 +1,10 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
#include <QString>
namespace MantidQt {
namespace MantidWidgets {
+namespace DataProcessor {
/** Adds an element to the whitelist
* @param colName : the name of the column to be added
@@ -13,7 +14,7 @@ namespace MantidWidgets {
* @param prefix : the prefix to be added to the value of this column
* @param description : a description of this column
*/
-void DataProcessorWhiteList::addElement(const QString &colName,
+void WhiteList::addElement(const QString &colName,
const QString &algProperty,
const QString &description,
bool showValue, const QString &prefix) {
@@ -29,34 +30,34 @@ void DataProcessorWhiteList::addElement(const QString &colName,
/** Returns the column index for a column specified via its name
@param colName : The column name
*/
-int DataProcessorWhiteList::colIndexFromColName(const QString &colName) const {
+int WhiteList::colIndexFromColName(const QString &colName) const {
return m_colNameToColIndex.at(colName);
}
/** Returns the column name for a column specified via its index
@param index : The column index
*/
-QString DataProcessorWhiteList::colNameFromColIndex(int index) const {
+QString WhiteList::colNameFromColIndex(int index) const {
return m_colIndexToColName.at(index);
}
/** Returns the algorithm property linked to a column specified via its index
@param index : The column index
*/
-QString DataProcessorWhiteList::algPropFromColIndex(int index) const {
+QString WhiteList::algPropFromColIndex(int index) const {
return m_colIndexToAlgProp.at(index);
}
/** Returns the column description for a column specified via its index
@param index : The column index
*/
-QString DataProcessorWhiteList::description(int index) const {
+QString WhiteList::description(int index) const {
return m_description.at(index);
}
/** Returns the size of this whitelist, i.e. the number of columns
*/
-size_t DataProcessorWhiteList::size() const {
+size_t WhiteList::size() const {
return m_colNameToColIndex.size();
}
@@ -64,7 +65,7 @@ size_t DataProcessorWhiteList::size() const {
* name of the output ws
* @param index : The column index
*/
-bool DataProcessorWhiteList::showValue(int index) const {
+bool WhiteList::showValue(int index) const {
return m_showValue.at(index);
}
@@ -72,8 +73,9 @@ bool DataProcessorWhiteList::showValue(int index) const {
* only be used if showValue is true for this column
* @param index : The column index
*/
-QString DataProcessorWhiteList::prefix(int index) const {
+QString WhiteList::prefix(int index) const {
return m_prefix.at(index);
}
}
}
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/ParseKeyValueString.cpp b/qt/widgets/common/src/ParseKeyValueString.cpp
similarity index 96%
rename from qt/widgets/common/src/DataProcessorUI/ParseKeyValueString.cpp
rename to qt/widgets/common/src/ParseKeyValueString.cpp
index 60e38a431a2182c55ca21ae6352c521cad921788..832806478e8a489bc4d31efe50d51a61877d509e 100644
--- a/qt/widgets/common/src/DataProcessorUI/ParseKeyValueString.cpp
+++ b/qt/widgets/common/src/ParseKeyValueString.cpp
@@ -1,4 +1,4 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h"
+#include "MantidQtWidgets/Common/ParseKeyValueString.h"
#include <boost/algorithm/string.hpp>
#include <boost/tokenizer.hpp>
#include <vector>
@@ -54,4 +54,4 @@ std::map<std::string, std::string> parseKeyValueString(const std::string &str) {
return kvp;
}
}
-}
\ No newline at end of file
+}
diff --git a/qt/widgets/common/src/DataProcessorUI/ParseNumerics.cpp b/qt/widgets/common/src/ParseNumerics.cpp
similarity index 90%
rename from qt/widgets/common/src/DataProcessorUI/ParseNumerics.cpp
rename to qt/widgets/common/src/ParseNumerics.cpp
index 094355046527dcbf3ad6dee0d070cc8945ee5931..ee7f888662f6d0c8195e238621d474640c6d7a14 100644
--- a/qt/widgets/common/src/DataProcessorUI/ParseNumerics.cpp
+++ b/qt/widgets/common/src/ParseNumerics.cpp
@@ -1,4 +1,4 @@
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseNumerics.h"
+#include "MantidQtWidgets/Common/ParseNumerics.h"
#include <stdexcept>
namespace MantidQt {
namespace MantidWidgets {
diff --git a/qt/widgets/common/src/PropertyWidget.cpp b/qt/widgets/common/src/PropertyWidget.cpp
index a2660c0d425529c438a1f7b9a6ee5d8d4208ee91..f96fb77d8ca6ac276c6954ad90dfc7fca66bdb05 100644
--- a/qt/widgets/common/src/PropertyWidget.cpp
+++ b/qt/widgets/common/src/PropertyWidget.cpp
@@ -4,8 +4,6 @@
#include "MantidAPI/IWorkspaceProperty.h"
#include "MantidAPI/AnalysisDataService.h"
-#include <boost/foreach.hpp>
-
#include <cmath>
#include <climits>
#include <cfloat>
@@ -40,15 +38,9 @@ double stringToRoundedNumber(const std::string &s) {
// warning).
const bool containsComma = s.find(",") != std::string::npos;
if (containsComma)
- throw std::runtime_error("");
-
- std::istringstream i(s);
- double roundedNumber;
+ throw std::runtime_error("string contains a comma");
- if (!(i >> roundedNumber))
- throw std::runtime_error("");
-
- return roundedNumber;
+ return std::stod(s);
}
/**
@@ -72,9 +64,10 @@ bool isValidPropertyValue(Mantid::Kernel::Property *prop,
* class the other *_MAX macros as "empty" macros, too.
*
* @param value :: the string value to check
+ * @param value_d :: the double value to check
* @returns :: true if the value is one of the macros, else false
*/
-bool isEmptyNumMacro(const std::string &value) {
+bool isEmptyNumMacro(const std::string &value, const double value_d) {
using namespace Mantid;
// Catch instances of Python's "sys.maxint" which otherwise seem to fall
@@ -82,20 +75,13 @@ bool isEmptyNumMacro(const std::string &value) {
if (value == "2.14748e+09")
return true;
- double roundedNumber;
- try {
- roundedNumber = stringToRoundedNumber(value);
- } catch (std::runtime_error &) {
- return false;
- }
-
static const std::vector<double> EMPTY_NUM_MACROS = {
EMPTY_DBL(), -DBL_MAX, DBL_MAX, static_cast<double>(EMPTY_INT()),
static_cast<double>(EMPTY_LONG()), static_cast<double>(-INT_MAX),
static_cast<double>(-LONG_MAX)};
- return std::find(EMPTY_NUM_MACROS.begin(), EMPTY_NUM_MACROS.end(),
- roundedNumber) != EMPTY_NUM_MACROS.end();
+ return std::find(EMPTY_NUM_MACROS.begin(), EMPTY_NUM_MACROS.end(), value_d) !=
+ EMPTY_NUM_MACROS.end();
}
/**
@@ -125,8 +111,7 @@ std::string createFieldPlaceholderText(Mantid::Kernel::Property *prop) {
if (defaultValue.empty())
return "";
- if (!isValidPropertyValue(prop, defaultValue) ||
- isEmptyNumMacro(prop->getDefault()))
+ if (!isValidPropertyValue(prop, defaultValue))
return "";
// It seems likely that any instance of "-0" or "-0.0" should be replaced with
@@ -135,18 +120,22 @@ std::string createFieldPlaceholderText(Mantid::Kernel::Property *prop) {
if (defaultValue == "-0" || defaultValue == "-0.0")
return "0";
+ // If it can't be converted to a double, there is no reason to give
+ // it special handling
double roundedNumber;
try {
roundedNumber = stringToRoundedNumber(defaultValue);
- } catch (std::runtime_error &) {
+ } catch (std::exception &) {
return defaultValue;
}
+ if (isEmptyNumMacro(prop->getDefault(), roundedNumber))
+ return "";
+
// We'd like to round off any instances of "2.7999999999999998",
- // "0.050000000000000003",
- // or similar, but we want to keep the decimal point in values like "0.0" or
- // "1.0" since
- // they can be a visual clue that a double is expected.
+ // "0.050000000000000003", or similar, but we want to keep the
+ // decimal point in values like "0.0" or "1.0" since they can be a
+ // visual clue that a double is expected.
static const std::size_t STRING_ROUNDING_LENGTH = 15;
if (defaultValue.length() >= STRING_ROUNDING_LENGTH) {
std::stringstream roundedValue;
@@ -232,7 +221,7 @@ PropertyWidget::PropertyWidget(Mantid::Kernel::Property *prop, QWidget *parent,
std::vector<Info> labelOrder = {RESTORE, REPLACE, INVALID};
- BOOST_FOREACH (const Info info, labelOrder) {
+ for (const Info &info : labelOrder) {
const QString iconPath = pathsAndToolTips[info].first;
const QString toolTip = pathsAndToolTips[info].second;
diff --git a/qt/widgets/common/src/PythonRunner.cpp b/qt/widgets/common/src/PythonRunner.cpp
index 2f5f006e64a6ce6a508df2613a854ad0ba65d3b7..78d625f1a9ad786bb9c8386e74de46c485b424e0 100644
--- a/qt/widgets/common/src/PythonRunner.cpp
+++ b/qt/widgets/common/src/PythonRunner.cpp
@@ -46,7 +46,7 @@ QString PythonRunner::runPythonCode(const QString &code, bool no_output) {
// The file name is only valid when the file is open
QString tmpstring = tmp_file.fileName();
tmp_file.close();
- QString code_to_run =
+ QString code_to_run = "from __future__ import (absolute_import, division, print_function)\n"
"import sys; sys.stdout = open(\"" + tmpstring + "\", 'w');\n" + code;
emit runAsPythonScript(code_to_run, true);
diff --git a/qt/widgets/common/src/PythonThreading.cpp b/qt/widgets/common/src/PythonThreading.cpp
index cbe5dd54c54240a5471605a0015394491d1c7c2a..52be4836f59c1402c046e1ef497bb25dc28827fa 100644
--- a/qt/widgets/common/src/PythonThreading.cpp
+++ b/qt/widgets/common/src/PythonThreading.cpp
@@ -2,36 +2,59 @@
// Includes
//------------------------------------------------------------------------------
#include "MantidQtWidgets/Common/PythonThreading.h"
-#include <iostream>
-#include <QThread>
+namespace {
+PyThreadState *INITIAL_TS = nullptr;
+}
+
+//------------------------------------------------------------------------------
+// PythonInterpreter Public members
+//------------------------------------------------------------------------------
+void PythonInterpreter::initialize() {
+ Py_Initialize();
+ PyEval_InitThreads();
+ // Release GIL
+ INITIAL_TS = PyEval_SaveThread();
+}
+
+// Finalize the Python process. The GIL must be held to
+// call this function but after it completes calling
+// any python functions is undefined behaviour
+void PythonInterpreter::finalize() { Py_Finalize(); }
//------------------------------------------------------------------------------
// PythonGIL Public members
//------------------------------------------------------------------------------
+/**
+ * Check if the current thread has the lock
+ * @return True if the current thread holds the GIL, false otherwise
+ */
+bool PythonGIL::locked() {
+#if PY_VERSION_HEX < 0x03000000
+ PyThreadState *ts = _PyThreadState_Current;
+ return (ts && ts == PyGILState_GetThisThreadState());
+#else
+ return (PyGILState_Check() == 1);
+#endif
+}
+
/**
* Leaves the lock unlocked. You are strongly encouraged to use
* the ScopedInterpreterLock class to control this
*/
-PythonGIL::PythonGIL() : m_state(PyGILState_UNLOCKED), m_acquired(false) {}
+PythonGIL::PythonGIL() : m_state(PyGILState_UNLOCKED) {}
/**
* Calls PyGILState_Ensure. A call to this must be matched by a call to release
* on the same thread.
*/
-void PythonGIL::acquire() {
- m_state = PyGILState_Ensure();
- m_acquired = true;
-}
+void PythonGIL::acquire() { m_state = PyGILState_Ensure(); }
/**
* Calls PyGILState_Release
*/
-void PythonGIL::release() {
- PyGILState_Release(m_state);
- m_acquired = false;
-}
+void PythonGIL::release() { PyGILState_Release(m_state); }
//------------------------------------------------------------------------------
// RecursivePythonGIL public members
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorCommandsTest.h b/qt/widgets/common/test/DataProcessorUI/CommandsTest.h
similarity index 74%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorCommandsTest.h
rename to qt/widgets/common/test/DataProcessorUI/CommandsTest.h
index 4e4f0c79ead2017b38bf41fc6768786170854f9e..5ce65b6e9ec8b02076805bb889dc51ef53431c9c 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorCommandsTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/CommandsTest.h
@@ -5,55 +5,56 @@
#include <gmock/gmock.h>
#include <gtest/gtest.h>
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPresenter.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWorkspaceCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WorkspaceCommand.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorCommandsTest : public CxxTest::TestSuite {
+class CommandsTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorCommandsTest *createSuite() {
- return new DataProcessorCommandsTest();
+ static CommandsTest *createSuite() {
+ return new CommandsTest();
}
- static void destroySuite(DataProcessorCommandsTest *suite) { delete suite; }
+ static void destroySuite(CommandsTest *suite) { delete suite; }
void test_open_table_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorOpenTableCommand command(&mockPresenter);
+ OpenTableCommand command(&mockPresenter);
// The presenter should be notified with the OpenTableFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::OpenTableFlag))
@@ -66,7 +67,7 @@ public:
void test_new_table_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorNewTableCommand command(&mockPresenter);
+ NewTableCommand command(&mockPresenter);
// The presenter should be notified with the NewTableFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::NewTableFlag))
@@ -79,7 +80,7 @@ public:
void test_save_table_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorSaveTableCommand command(&mockPresenter);
+ SaveTableCommand command(&mockPresenter);
// The presenter should be notified with the SaveFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::SaveFlag))
@@ -92,7 +93,7 @@ public:
void test_save_table_as_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorSaveTableAsCommand command(&mockPresenter);
+ SaveTableAsCommand command(&mockPresenter);
// The presenter should be notified with the SaveAsFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::SaveAsFlag))
@@ -105,7 +106,7 @@ public:
void test_import_table_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorImportTableCommand command(&mockPresenter);
+ ImportTableCommand command(&mockPresenter);
// The presenter should be notified with the ImportTableFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::ImportTableFlag))
@@ -118,7 +119,7 @@ public:
void test_export_table_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorExportTableCommand command(&mockPresenter);
+ ExportTableCommand command(&mockPresenter);
// The presenter should be notified with the ExportTableFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::ExportTableFlag))
@@ -131,7 +132,7 @@ public:
void test_options_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorOptionsCommand command(&mockPresenter);
+ OptionsCommand command(&mockPresenter);
// The presenter should be notified with the OptionsDialogFlag
EXPECT_CALL(mockPresenter,
@@ -145,7 +146,7 @@ public:
void test_process_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorProcessCommand command(&mockPresenter);
+ ProcessCommand command(&mockPresenter);
// The presenter should be notified with the ProcessFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::ProcessFlag))
@@ -158,7 +159,7 @@ public:
void test_pause_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorPauseCommand command(&mockPresenter);
+ PauseCommand command(&mockPresenter);
// The presenter should be notified with the PauseFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::PauseFlag))
@@ -171,7 +172,7 @@ public:
void test_expand_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorExpandCommand command(&mockPresenter);
+ ExpandCommand command(&mockPresenter);
// The presenter should be notified with the ExpandSelectionFlag
EXPECT_CALL(mockPresenter,
@@ -185,7 +186,7 @@ public:
void test_expand_groups_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorExpandGroupsCommand command(&mockPresenter);
+ ExpandGroupsCommand command(&mockPresenter);
// The presenter should be notified with the ExpandAllGroupsFlag
EXPECT_CALL(mockPresenter,
@@ -199,7 +200,7 @@ public:
void test_collapse_groups_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorCollapseGroupsCommand command(&mockPresenter);
+ CollapseGroupsCommand command(&mockPresenter);
// The presenter should be notified with the CollapseAllGroupsFlag
EXPECT_CALL(mockPresenter,
@@ -213,7 +214,7 @@ public:
void test_plot_row_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorPlotRowCommand command(&mockPresenter);
+ PlotRowCommand command(&mockPresenter);
// The presenter should be notified with the PlotRowFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::PlotRowFlag))
@@ -226,7 +227,7 @@ public:
void test_plot_group_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorPlotGroupCommand command(&mockPresenter);
+ PlotGroupCommand command(&mockPresenter);
// The presenter should be notified with the PlotGroupFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::PlotGroupFlag))
@@ -239,7 +240,7 @@ public:
void test_append_row_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorAppendRowCommand command(&mockPresenter);
+ AppendRowCommand command(&mockPresenter);
// The presenter should be notified with the AppendRowFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::AppendRowFlag))
@@ -252,7 +253,7 @@ public:
void test_append_group_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorAppendGroupCommand command(&mockPresenter);
+ AppendGroupCommand command(&mockPresenter);
// The presenter should be notified with the AppendRowFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::AppendGroupFlag))
@@ -265,7 +266,7 @@ public:
void test_group_rows_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorGroupRowsCommand command(&mockPresenter);
+ GroupRowsCommand command(&mockPresenter);
// The presenter should be notified with the GroupRowsFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::GroupRowsFlag))
@@ -278,7 +279,7 @@ public:
void test_copy_selected_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorCopySelectedCommand command(&mockPresenter);
+ CopySelectedCommand command(&mockPresenter);
// The presenter should be notified with the CopySelectedFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::CopySelectedFlag))
@@ -291,7 +292,7 @@ public:
void test_cut_selected_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorCutSelectedCommand command(&mockPresenter);
+ CutSelectedCommand command(&mockPresenter);
// The presenter should be notified with the CutSelectedFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::CutSelectedFlag))
@@ -304,7 +305,7 @@ public:
void test_paste_selected_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorPasteSelectedCommand command(&mockPresenter);
+ PasteSelectedCommand command(&mockPresenter);
// The presenter should be notified with the PasteSelectedFlag
EXPECT_CALL(mockPresenter,
@@ -318,7 +319,7 @@ public:
void test_clear_selected_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorClearSelectedCommand command(&mockPresenter);
+ ClearSelectedCommand command(&mockPresenter);
// The presenter should be notified with the ClearSelectedFlag
EXPECT_CALL(mockPresenter,
@@ -332,7 +333,7 @@ public:
void test_delete_row_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorDeleteRowCommand command(&mockPresenter);
+ DeleteRowCommand command(&mockPresenter);
// The presenter should be notified with the DeleteRowFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::DeleteRowFlag))
@@ -345,7 +346,7 @@ public:
void test_delete_group_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorDeleteGroupCommand command(&mockPresenter);
+ DeleteGroupCommand command(&mockPresenter);
// The presenter should be notified with the DeleteRowFlag
EXPECT_CALL(mockPresenter, notify(DataProcessorPresenter::DeleteGroupFlag))
@@ -358,7 +359,7 @@ public:
void test_separator_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorSeparatorCommand command(&mockPresenter);
+ SeparatorCommand command(&mockPresenter);
// The presenter should not be notified with any of the flags
EXPECT_CALL(mockPresenter, notify(_)).Times(Exactly(0));
@@ -370,7 +371,7 @@ public:
void test_workspace_command() {
NiceMock<MockDataProcessorPresenter> mockPresenter;
- DataProcessorWorkspaceCommand command(&mockPresenter, "workspace");
+ WorkspaceCommand command(&mockPresenter, "workspace");
// The presenter should set the name of the ws
EXPECT_CALL(mockPresenter, setModel(QString("workspace")))
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorGenerateNotebookTest.h b/qt/widgets/common/test/DataProcessorUI/GenerateNotebookTest.h
similarity index 94%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorGenerateNotebookTest.h
rename to qt/widgets/common/test/DataProcessorUI/GenerateNotebookTest.h
index 075b7c58b33447c0f585e814fad47f579c603252..37afa7a6140fa9acc4a754eca1d0a720fa23fa96 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorGenerateNotebookTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/GenerateNotebookTest.h
@@ -10,35 +10,36 @@
#include <boost/algorithm/string/split.hpp>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGenerateNotebook.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorVectorString.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GenerateNotebook.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/VectorString.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace testing;
-class DataProcessorGenerateNotebookTest : public CxxTest::TestSuite {
+class GenerateNotebookTest : public CxxTest::TestSuite {
private:
// Creates a map with pre-processing instruction for reflectometry
- std::map<QString, DataProcessorPreprocessingAlgorithm>
+ std::map<QString, PreprocessingAlgorithm>
reflPreprocessMap(const QString &plusPrefix = "") {
// Reflectometry pre-process map
- return std::map<QString, DataProcessorPreprocessingAlgorithm>{
- {"Run(s)", DataProcessorPreprocessingAlgorithm("Plus", plusPrefix,
+ return std::map<QString, PreprocessingAlgorithm>{
+ {"Run(s)", PreprocessingAlgorithm("Plus", plusPrefix,
std::set<QString>())},
{"Transmission Run(s)",
- DataProcessorPreprocessingAlgorithm(
+ PreprocessingAlgorithm(
"CreateTransmissionWorkspaceAuto", "TRANS_",
std::set<QString>{"FirstTransmissionRun", "SecondTransmissionRun",
"OutputWorkspace"})}};
}
// Creates a reflectometry processing algorithm
- DataProcessorProcessingAlgorithm reflProcessor() {
+ ProcessingAlgorithm reflProcessor() {
- return DataProcessorProcessingAlgorithm(
+ return ProcessingAlgorithm(
"ReflectometryReductionOneAuto",
std::vector<QString>{"IvsQ_binned_", "IvsQ_", "IvsLam_"},
std::set<QString>{"ThetaIn", "ThetaOut", "InputWorkspace",
@@ -46,17 +47,17 @@ private:
"FirstTransmissionRun", "SecondTransmissionRun"});
}
- DataProcessorPostprocessingAlgorithm reflPostprocessor() {
- return DataProcessorPostprocessingAlgorithm(
+ PostprocessingAlgorithm reflPostprocessor() {
+ return PostprocessingAlgorithm(
"Stitch1DMany", "IvsQ_",
std::set<QString>{"InputWorkspaces", "OutputWorkspace"});
}
// Creates a reflectometry whitelist
- DataProcessorWhiteList reflWhitelist() {
+ WhiteList reflWhitelist() {
// Reflectometry white list
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run(s)", "InputWorkspace", "", true, "TOF_");
whitelist.addElement("Angle", "ThetaIn", "");
whitelist.addElement("Transmission Run(s)", "FirstTransmissionRun", "",
@@ -94,10 +95,10 @@ private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorGenerateNotebookTest *createSuite() {
- return new DataProcessorGenerateNotebookTest();
+ static GenerateNotebookTest *createSuite() {
+ return new GenerateNotebookTest();
}
- static void destroySuite(DataProcessorGenerateNotebookTest *suite) {
+ static void destroySuite(GenerateNotebookTest *suite) {
delete suite;
}
@@ -126,7 +127,7 @@ public:
}
}
- DataProcessorGenerateNotebookTest() { FrameworkManager::Instance(); }
+ GenerateNotebookTest() { FrameworkManager::Instance(); }
// Create a notebook to test
void setUp() override {
@@ -136,9 +137,9 @@ public:
void testGenerateNotebookFirstLines() {
- auto notebook = Mantid::Kernel::make_unique<DataProcessorGenerateNotebook>(
+ auto notebook = Mantid::Kernel::make_unique<GenerateNotebook>(
m_wsName, m_instrument, reflWhitelist(),
- std::map<QString, DataProcessorPreprocessingAlgorithm>(),
+ std::map<QString, PreprocessingAlgorithm>(),
reflProcessor(), reflPostprocessor(), std::map<QString, QString>(), "",
"");
@@ -174,7 +175,7 @@ public:
void testTableStringWrongData() {
// Whitelist and data incompatible
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "Run", "");
whitelist.addElement("Angle", "Angle", "");
@@ -257,7 +258,7 @@ public:
}
void testLoadWorkspaceStringThreeRunsWithOptions() {
- DataProcessorPreprocessingAlgorithm preprocessor("WeightedMean");
+ PreprocessingAlgorithm preprocessor("WeightedMean");
auto output = loadWorkspaceString("RUN1+RUN2,RUN3", "INST_", preprocessor,
"Property1 = 1, Property2 = 2");
auto outputLines = splitIntoLines(boost::get<0>(output));
@@ -318,7 +319,7 @@ public:
// Reduce a single row, one column need pre-processing
// Create a whitelist
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "InputWorkspace", "", true);
whitelist.addElement("Angle", "ThetaIn", "", true, "angle_");
whitelist.addElement("Transmission Run(s)", "FirstTransmissionRun", "");
@@ -329,8 +330,8 @@ public:
whitelist.addElement("Options", "Options", "");
// Create a pre-process map
- std::map<QString, DataProcessorPreprocessingAlgorithm> preprocessMap = {
- {"Run", DataProcessorPreprocessingAlgorithm("Plus", "RUN_",
+ std::map<QString, PreprocessingAlgorithm> preprocessMap = {
+ {"Run", PreprocessingAlgorithm("Plus", "RUN_",
std::set<QString>())}};
// Specify some pre-processing options
std::map<QString, QString> userPreProcessingOptions = {
@@ -369,7 +370,7 @@ public:
// Reduce a run without pre-processing algorithm specified (i.e. empty
// pre-process map)
- std::map<QString, DataProcessorPreprocessingAlgorithm> emptyPreProcessMap;
+ std::map<QString, PreprocessingAlgorithm> emptyPreProcessMap;
std::map<QString, QString> emptyPreProcessingOptions;
const RowData data = {"12346", "1.5", "", "1.4", "2.9",
@@ -393,7 +394,7 @@ public:
// Whitelist and data differ in size
// Create a whitelist
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "", "", true, "run_");
whitelist.addElement("Angle", "", "", false, "");
whitelist.addElement("Trans", "", "", false, "");
@@ -409,7 +410,7 @@ public:
void testReducedWorkspaceNameOnlyRun() {
// Create a whitelist
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "", "", true, "run_");
whitelist.addElement("Angle", "", "", false, "");
whitelist.addElement("Trans", "", "", false, "");
@@ -431,7 +432,7 @@ public:
void testReducedWorkspaceNameRunAndTrans() {
// Create a whitelist
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "", "", true, "run_");
whitelist.addElement("Angle", "", "", false, "");
whitelist.addElement("Trans", "", "", true, "trans_");
@@ -453,7 +454,7 @@ public:
void testReducedWorkspaceNameTransNoPrefix() {
// Create a whitelist
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run", "", "", false, "");
whitelist.addElement("Angle", "", "", false, "");
whitelist.addElement("Trans", "", "", true, "");
@@ -623,7 +624,7 @@ public:
auto processingOptions = "AnalysisMode=MultiDetectorAnalysis";
auto postprocessingOptions = "Params=0.04";
- auto notebook = Mantid::Kernel::make_unique<DataProcessorGenerateNotebook>(
+ auto notebook = Mantid::Kernel::make_unique<GenerateNotebook>(
"TableName", "INTER", whitelist, preprocessMap, processor,
postProcessor, preprocessingOptions, processingOptions,
postprocessingOptions);
@@ -720,7 +721,7 @@ public:
auto processingOptions = "AnalysisMode=MultiDetectorAnalysis";
auto postprocessingOptions = "Params=0.04";
- auto notebook = Mantid::Kernel::make_unique<DataProcessorGenerateNotebook>(
+ auto notebook = Mantid::Kernel::make_unique<GenerateNotebook>(
"TableName", "INTER", whitelist, preprocessMap, processor,
postProcessor, preprocessingOptions, processingOptions,
postprocessingOptions);
diff --git a/qt/widgets/common/test/DataProcessorUI/GenericDataProcessorPresenterTest.h b/qt/widgets/common/test/DataProcessorUI/GenericDataProcessorPresenterTest.h
index e2c40998a655fd381414b39bd149adafb81a333f..b9825612efcfa1f34c72e764052c6c9606b284f4 100644
--- a/qt/widgets/common/test/DataProcessorUI/GenericDataProcessorPresenterTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/GenericDataProcessorPresenterTest.h
@@ -9,13 +9,14 @@
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidGeometry/Instrument.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
#include "MantidQtWidgets/Common/DataProcessorUI/GenericDataProcessorPresenter.h"
#include "MantidQtWidgets/Common/DataProcessorUI/ProgressableViewMockObject.h"
#include "MantidQtWidgets/Common/WidgetDllOption.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace Mantid::Kernel;
using namespace testing;
@@ -32,11 +33,11 @@ class GenericDataProcessorPresenterNoThread
public:
// Standard constructor
GenericDataProcessorPresenterNoThread(
- const DataProcessorWhiteList &whitelist,
- const std::map<QString, DataProcessorPreprocessingAlgorithm> &
+ const WhiteList &whitelist,
+ const std::map<QString, PreprocessingAlgorithm> &
preprocessMap,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor,
const std::map<QString, QString> &postprocessMap =
std::map<QString, QString>(),
const QString &loader = "Load")
@@ -45,11 +46,11 @@ public:
// Delegating constructor (no pre-processing required)
GenericDataProcessorPresenterNoThread(
- const DataProcessorWhiteList &whitelist,
- const DataProcessorProcessingAlgorithm &processor,
- const DataProcessorPostprocessingAlgorithm &postprocessor)
+ const WhiteList &whitelist,
+ const ProcessingAlgorithm &processor,
+ const PostprocessingAlgorithm &postprocessor)
: GenericDataProcessorPresenter(
- whitelist, std::map<QString, DataProcessorPreprocessingAlgorithm>(),
+ whitelist, std::map<QString, PreprocessingAlgorithm>(),
processor, postprocessor) {}
// Destructor
@@ -92,9 +93,9 @@ private:
class GenericDataProcessorPresenterTest : public CxxTest::TestSuite {
private:
- DataProcessorWhiteList createReflectometryWhiteList() {
+ WhiteList createReflectometryWhiteList() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run(s)", "InputWorkspace", "", true, "TOF_");
whitelist.addElement("Angle", "ThetaIn", "");
whitelist.addElement("Transmission Run(s)", "FirstTransmissionRun", "",
@@ -106,24 +107,24 @@ private:
return whitelist;
}
- std::map<QString, DataProcessorPreprocessingAlgorithm>
+ std::map<QString, PreprocessingAlgorithm>
createReflectometryPreprocessMap() {
- return std::map<QString, DataProcessorPreprocessingAlgorithm>{
+ return std::map<QString, PreprocessingAlgorithm>{
{"Run(s)",
- DataProcessorPreprocessingAlgorithm(
+ PreprocessingAlgorithm(
"Plus", "TOF_", std::set<QString>{"LHSWorkspace", "RHSWorkspace",
"OutputWorkspace"})},
{"Transmission Run(s)",
- DataProcessorPreprocessingAlgorithm(
+ PreprocessingAlgorithm(
"CreateTransmissionWorkspaceAuto", "TRANS_",
std::set<QString>{"FirstTransmissionRun", "SecondTransmissionRun",
"OutputWorkspace"})}};
}
- DataProcessorProcessingAlgorithm createReflectometryProcessor() {
+ ProcessingAlgorithm createReflectometryProcessor() {
- return DataProcessorProcessingAlgorithm(
+ return ProcessingAlgorithm(
"ReflectometryReductionOneAuto",
std::vector<QString>{"IvsQ_binned_", "IvsQ_", "IvsLam_"},
std::set<QString>{"ThetaIn", "ThetaOut", "InputWorkspace",
@@ -131,16 +132,16 @@ private:
"FirstTransmissionRun", "SecondTransmissionRun"});
}
- DataProcessorPostprocessingAlgorithm createReflectometryPostprocessor() {
+ PostprocessingAlgorithm createReflectometryPostprocessor() {
- return DataProcessorPostprocessingAlgorithm(
+ return PostprocessingAlgorithm(
"Stitch1DMany", "IvsQ_",
std::set<QString>{"InputWorkspaces", "OutputWorkspace"});
}
ITableWorkspace_sptr
createWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
ITableWorkspace_sptr ws = WorkspaceFactory::Instance().createTable();
const int ncols = static_cast<int>(whitelist.size());
@@ -205,7 +206,7 @@ private:
ITableWorkspace_sptr
createPrefilledWorkspace(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
TableRow row = ws->appendRow();
row << "0"
@@ -254,7 +255,7 @@ private:
ITableWorkspace_sptr
createPrefilledWorkspaceThreeGroups(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
TableRow row = ws->appendRow();
row << "0"
@@ -321,7 +322,7 @@ private:
ITableWorkspace_sptr
createPrefilledWorkspaceWithTrans(const QString &wsName,
- const DataProcessorWhiteList &whitelist) {
+ const WhiteList &whitelist) {
auto ws = createWorkspace(wsName, whitelist);
TableRow row = ws->appendRow();
row << "0"
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorOneLevelTreeManagerTest.h b/qt/widgets/common/test/DataProcessorUI/OneLevelTreeManagerTest.h
similarity index 68%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorOneLevelTreeManagerTest.h
rename to qt/widgets/common/test/DataProcessorUI/OneLevelTreeManagerTest.h
index 56ecb26b017ab0f414cd786435050190d395e95f..416ff43b38efdf9b480079ea8e09f18a2bdaea52 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorOneLevelTreeManagerTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/OneLevelTreeManagerTest.h
@@ -8,43 +8,44 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOneLevelTreeManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OneLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
using namespace Mantid::API;
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace testing;
using Runs = std::vector<std::map<QString, QString>>;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorOneLevelTreeManagerTest : public CxxTest::TestSuite {
+class OneLevelTreeManagerTest : public CxxTest::TestSuite {
private:
// Return a reflectometry whitelist
- DataProcessorWhiteList reflWhitelist() {
+ WhiteList reflWhitelist() {
// Reflectometry white list
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run(s)", "InputWorkspace", "", true, "TOF_");
whitelist.addElement("Angle", "ThetaIn", "");
whitelist.addElement("Transmission Run(s)", "FirstTransmissionRun", "",
@@ -111,51 +112,51 @@ private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorOneLevelTreeManagerTest *createSuite() {
- return new DataProcessorOneLevelTreeManagerTest();
+ static OneLevelTreeManagerTest *createSuite() {
+ return new OneLevelTreeManagerTest();
}
- static void destroySuite(DataProcessorOneLevelTreeManagerTest *suite) {
+ static void destroySuite(OneLevelTreeManagerTest *suite) {
delete suite;
}
void test_publish_commands() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter,
- DataProcessorWhiteList());
+ OneLevelTreeManager manager(&presenter,
+ WhiteList());
auto comm = manager.publishCommands();
TS_ASSERT_EQUALS(comm.size(), 23);
- TS_ASSERT(dynamic_cast<DataProcessorOpenTableCommand *>(comm[0].get()));
- TS_ASSERT(dynamic_cast<DataProcessorNewTableCommand *>(comm[1].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSaveTableCommand *>(comm[2].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSaveTableAsCommand *>(comm[3].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[4].get()));
- TS_ASSERT(dynamic_cast<DataProcessorImportTableCommand *>(comm[5].get()));
- TS_ASSERT(dynamic_cast<DataProcessorExportTableCommand *>(comm[6].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[7].get()));
- TS_ASSERT(dynamic_cast<DataProcessorOptionsCommand *>(comm[8].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[9].get()));
- TS_ASSERT(dynamic_cast<DataProcessorProcessCommand *>(comm[10].get()));
- TS_ASSERT(dynamic_cast<DataProcessorPauseCommand *>(comm[11].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[12].get()));
- TS_ASSERT(dynamic_cast<DataProcessorPlotRowCommand *>(comm[13].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[14].get()));
- TS_ASSERT(dynamic_cast<DataProcessorAppendRowCommand *>(comm[15].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[16].get()));
- TS_ASSERT(dynamic_cast<DataProcessorCopySelectedCommand *>(comm[17].get()));
- TS_ASSERT(dynamic_cast<DataProcessorCutSelectedCommand *>(comm[18].get()));
+ TS_ASSERT(dynamic_cast<OpenTableCommand *>(comm[0].get()));
+ TS_ASSERT(dynamic_cast<NewTableCommand *>(comm[1].get()));
+ TS_ASSERT(dynamic_cast<SaveTableCommand *>(comm[2].get()));
+ TS_ASSERT(dynamic_cast<SaveTableAsCommand *>(comm[3].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[4].get()));
+ TS_ASSERT(dynamic_cast<ImportTableCommand *>(comm[5].get()));
+ TS_ASSERT(dynamic_cast<ExportTableCommand *>(comm[6].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[7].get()));
+ TS_ASSERT(dynamic_cast<OptionsCommand *>(comm[8].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[9].get()));
+ TS_ASSERT(dynamic_cast<ProcessCommand *>(comm[10].get()));
+ TS_ASSERT(dynamic_cast<PauseCommand *>(comm[11].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[12].get()));
+ TS_ASSERT(dynamic_cast<PlotRowCommand *>(comm[13].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[14].get()));
+ TS_ASSERT(dynamic_cast<AppendRowCommand *>(comm[15].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[16].get()));
+ TS_ASSERT(dynamic_cast<CopySelectedCommand *>(comm[17].get()));
+ TS_ASSERT(dynamic_cast<CutSelectedCommand *>(comm[18].get()));
TS_ASSERT(
- dynamic_cast<DataProcessorPasteSelectedCommand *>(comm[19].get()));
+ dynamic_cast<PasteSelectedCommand *>(comm[19].get()));
TS_ASSERT(
- dynamic_cast<DataProcessorClearSelectedCommand *>(comm[20].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[21].get()));
- TS_ASSERT(dynamic_cast<DataProcessorDeleteRowCommand *>(comm[22].get()));
+ dynamic_cast<ClearSelectedCommand *>(comm[20].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[21].get()));
+ TS_ASSERT(dynamic_cast<DeleteRowCommand *>(comm[22].get()));
}
void test_append_row() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -167,13 +168,13 @@ public:
void test_append_group() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
TS_ASSERT_THROWS_ANYTHING(manager.appendGroup());
}
void test_delete_row_when_table_is_empty() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -186,7 +187,7 @@ public:
void test_delete_row_with_populated_table() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(3)
@@ -199,24 +200,23 @@ public:
TS_ASSERT(Mock::VerifyAndClearExpectations(&presenter));
}
-
void test_delete_group() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
TS_ASSERT_THROWS_ANYTHING(manager.deleteGroup());
TS_ASSERT(Mock::VerifyAndClearExpectations(&presenter));
}
void test_expand_selection() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
TS_ASSERT_THROWS_ANYTHING(manager.expandSelection());
TS_ASSERT(Mock::VerifyAndClearExpectations(&presenter));
}
void test_clear_selected() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -228,7 +228,7 @@ public:
void test_copy_selected() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -240,7 +240,7 @@ public:
void test_paste_selected() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren()).Times(0);
TS_ASSERT_THROWS_NOTHING(manager.pasteSelected(""));
@@ -251,7 +251,7 @@ public:
NiceMock<MockDataProcessorPresenter> presenter;
auto table = reflTable();
auto whitelist = reflWhitelist();
- DataProcessorOneLevelTreeManager manager(&presenter, whitelist);
+ OneLevelTreeManager manager(&presenter, whitelist);
TS_ASSERT_THROWS_NOTHING(manager.newTable(table, whitelist));
QStringList firstRow = {"12345", "0.5", "", "0.1", "1.6", "0.04", "1", ""};
@@ -276,15 +276,15 @@ public:
void test_transfer_fails_wrong_whitelist() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Group", "0"}, {"Runs", "12345"}}};
- TS_ASSERT_THROWS_ANYTHING(manager.transfer(runs, DataProcessorWhiteList()));
+ TS_ASSERT_THROWS_ANYTHING(manager.transfer(runs, WhiteList()));
}
void test_transfer_good_data() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Run(s)", "12345"},
{"Angle", "0.5"},
@@ -347,7 +347,7 @@ public:
void test_update() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorOneLevelTreeManager manager(&presenter, reflWhitelist());
+ OneLevelTreeManager manager(&presenter, reflWhitelist());
QStringList newRow = {"0", "1", "2", "3", "4", "5", "6", "7"};
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorPostprocessingAlgorithmTest.h b/qt/widgets/common/test/DataProcessorUI/PostprocessingAlgorithmTest.h
similarity index 69%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorPostprocessingAlgorithmTest.h
rename to qt/widgets/common/test/DataProcessorUI/PostprocessingAlgorithmTest.h
index b170ca3e3f0f1f370b6661031c50fd4e71c8683d..5dbc81e7496fb3403ef322a8b14164e2e393fe0e 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorPostprocessingAlgorithmTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/PostprocessingAlgorithmTest.h
@@ -6,50 +6,51 @@
#include <gtest/gtest.h>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPostprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PostprocessingAlgorithm.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorPostprocessingAlgorithmTest : public CxxTest::TestSuite {
+class PostprocessingAlgorithmTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorPostprocessingAlgorithmTest *createSuite() {
- return new DataProcessorPostprocessingAlgorithmTest();
+ static PostprocessingAlgorithmTest *createSuite() {
+ return new PostprocessingAlgorithmTest();
}
- static void destroySuite(DataProcessorPostprocessingAlgorithmTest *suite) {
+ static void destroySuite(PostprocessingAlgorithmTest *suite) {
delete suite;
}
- DataProcessorPostprocessingAlgorithmTest() { FrameworkManager::Instance(); };
+ PostprocessingAlgorithmTest() { FrameworkManager::Instance(); };
void test_invalid_algorithms() {
// Algorithms with no 'str list' property
- TS_ASSERT_THROWS(DataProcessorPostprocessingAlgorithm("StepScan"),
+ TS_ASSERT_THROWS(PostprocessingAlgorithm("StepScan"),
std::invalid_argument);
// Algorithms with more than one 'str list' property
TS_ASSERT_THROWS(
- DataProcessorPostprocessingAlgorithm("PDDetermineCharacterizations"),
+ PostprocessingAlgorithm("PDDetermineCharacterizations"),
std::invalid_argument);
// Algorithms with invalid output ws properties
- TS_ASSERT_THROWS(DataProcessorPostprocessingAlgorithm("GroupWorkspaces"),
+ TS_ASSERT_THROWS(PostprocessingAlgorithm("GroupWorkspaces"),
std::invalid_argument);
}
void test_valid_algorithms() {
// MergeRuns
- TS_ASSERT_THROWS_NOTHING(DataProcessorPostprocessingAlgorithm("MergeRuns"));
+ TS_ASSERT_THROWS_NOTHING(PostprocessingAlgorithm("MergeRuns"));
}
void test_Stitch1DMany() {
- auto stitch = DataProcessorPostprocessingAlgorithm(
+ auto stitch = PostprocessingAlgorithm(
"Stitch1DMany", "IvsQ_",
std::set<QString>{"InputWorkspaces", "OutputWorkspace"});
TS_ASSERT_EQUALS(stitch.name(), "Stitch1DMany");
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessMapTest.h b/qt/widgets/common/test/DataProcessorUI/PreprocessMapTest.h
similarity index 75%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessMapTest.h
rename to qt/widgets/common/test/DataProcessorUI/PreprocessMapTest.h
index 4324ba074f03d1d476ffdfa8ed834e247592d712..e0b5ffa6e125056a8dbcd2c666c1e1b320dea3e0 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessMapTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/PreprocessMapTest.h
@@ -6,31 +6,32 @@
#include <gtest/gtest.h>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessMap.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessMap.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorPreprocessMapTest : public CxxTest::TestSuite {
+class PreprocessMapTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorPreprocessMapTest *createSuite() {
- return new DataProcessorPreprocessMapTest();
+ static PreprocessMapTest *createSuite() {
+ return new PreprocessMapTest();
}
- static void destroySuite(DataProcessorPreprocessMapTest *suite) {
+ static void destroySuite(PreprocessMapTest *suite) {
delete suite;
}
- DataProcessorPreprocessMapTest() { FrameworkManager::Instance(); };
+ PreprocessMapTest() { FrameworkManager::Instance(); };
void test_add_element() {
- DataProcessorPreprocessMap preprocessMap;
+ PreprocessMap preprocessMap;
preprocessMap.addElement("Runs", "Plus");
preprocessMap.addElement("Transmission Runs",
"CreateTransmissionWorkspaceAuto", "TRANS_",
@@ -38,13 +39,13 @@ public:
auto preprocessingInstructions = preprocessMap.asMap();
- DataProcessorPreprocessingAlgorithm algPlus =
+ PreprocessingAlgorithm algPlus =
preprocessingInstructions["Runs"];
TS_ASSERT_EQUALS(algPlus.name(), "Plus");
TS_ASSERT_EQUALS(algPlus.prefix(), "");
TS_ASSERT_EQUALS(algPlus.blacklist(), std::set<QString>());
- DataProcessorPreprocessingAlgorithm algTrans =
+ PreprocessingAlgorithm algTrans =
preprocessingInstructions["Transmission Runs"];
TS_ASSERT_EQUALS(algTrans.name(), "CreateTransmissionWorkspaceAuto");
TS_ASSERT_EQUALS(algTrans.prefix(), "TRANS_");
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessingAlgorithmTest.h b/qt/widgets/common/test/DataProcessorUI/PreprocessingAlgorithmTest.h
similarity index 65%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessingAlgorithmTest.h
rename to qt/widgets/common/test/DataProcessorUI/PreprocessingAlgorithmTest.h
index 7cc47175f5bbadd16ac2e217bee612c79809659f..6364f47227e031e377a6d7af28bd4a6e16e8ef4a 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorPreprocessingAlgorithmTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/PreprocessingAlgorithmTest.h
@@ -6,60 +6,61 @@
#include <gtest/gtest.h>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPreprocessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PreprocessingAlgorithm.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorPreprocessingAlgorithmTest : public CxxTest::TestSuite {
+class PreprocessingAlgorithmTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorPreprocessingAlgorithmTest *createSuite() {
- return new DataProcessorPreprocessingAlgorithmTest();
+ static PreprocessingAlgorithmTest *createSuite() {
+ return new PreprocessingAlgorithmTest();
}
- static void destroySuite(DataProcessorPreprocessingAlgorithmTest *suite) {
+ static void destroySuite(PreprocessingAlgorithmTest *suite) {
delete suite;
}
- DataProcessorPreprocessingAlgorithmTest() { FrameworkManager::Instance(); };
+ PreprocessingAlgorithmTest() { FrameworkManager::Instance(); };
void test_invalid_algorithms() {
// Algorithm with a single input ws property
- TS_ASSERT_THROWS(DataProcessorPreprocessingAlgorithm("Rebin"),
+ TS_ASSERT_THROWS(PreprocessingAlgorithm("Rebin"),
std::invalid_argument);
// Algorithm with more than two input ws properties
TS_ASSERT_THROWS(
- DataProcessorPreprocessingAlgorithm("ReflectometryReductionOneAuto"),
+ PreprocessingAlgorithm("ReflectometryReductionOneAuto"),
std::invalid_argument);
// Algorithm with two input ws properties but no output ws properties
- TS_ASSERT_THROWS(DataProcessorPreprocessingAlgorithm("ConjoinWorkspaces"),
+ TS_ASSERT_THROWS(PreprocessingAlgorithm("ConjoinWorkspaces"),
std::invalid_argument);
}
void test_valid_algorithms() {
// Minus
- TS_ASSERT_THROWS_NOTHING(DataProcessorPreprocessingAlgorithm("Minus"));
+ TS_ASSERT_THROWS_NOTHING(PreprocessingAlgorithm("Minus"));
// Multiply
- TS_ASSERT_THROWS_NOTHING(DataProcessorPreprocessingAlgorithm("Multiply"));
+ TS_ASSERT_THROWS_NOTHING(PreprocessingAlgorithm("Multiply"));
// Divide
- TS_ASSERT_THROWS_NOTHING(DataProcessorPreprocessingAlgorithm("Divide"));
+ TS_ASSERT_THROWS_NOTHING(PreprocessingAlgorithm("Divide"));
// Default: Plus
- TS_ASSERT_THROWS_NOTHING(DataProcessorPreprocessingAlgorithm());
+ TS_ASSERT_THROWS_NOTHING(PreprocessingAlgorithm());
// WeightedMean
TS_ASSERT_THROWS_NOTHING(
- DataProcessorPreprocessingAlgorithm("WeightedMean"));
+ PreprocessingAlgorithm("WeightedMean"));
}
void test_default() {
// Default: no algorithm
- auto plus = DataProcessorPreprocessingAlgorithm();
+ auto plus = PreprocessingAlgorithm();
TS_ASSERT_EQUALS(plus.name(), "");
TS_ASSERT_EQUALS(plus.lhsProperty(), "");
TS_ASSERT_EQUALS(plus.rhsProperty(), "");
@@ -74,7 +75,7 @@ public:
std::set<QString> blacklist = {"InputWorkspace1", "InputWorkspace2",
"OutputWorkspace"};
auto mean =
- DataProcessorPreprocessingAlgorithm("WeightedMean", "", blacklist);
+ PreprocessingAlgorithm("WeightedMean", "", blacklist);
TS_ASSERT_EQUALS(mean.lhsProperty(), "InputWorkspace1");
TS_ASSERT_EQUALS(mean.rhsProperty(), "InputWorkspace2");
TS_ASSERT_EQUALS(mean.outputProperty(), "OutputWorkspace");
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmBaseTest.h b/qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmBaseTest.h
similarity index 68%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmBaseTest.h
rename to qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmBaseTest.h
index c5fbd9ff17e64c7e0b948c785d09b02c0323fbcc..60efa999ce71886c1f0d154cdc18c35d5990207c 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmBaseTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmBaseTest.h
@@ -4,27 +4,26 @@
#include <cxxtest/TestSuite.h>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithmBase.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithmBase.h"
using namespace Mantid::API;
+using namespace MantidQt::MantidWidgets::DataProcessor;
-using MantidQt::MantidWidgets::DataProcessorProcessingAlgorithmBase;
-
-class DataProcessorProcessingAlgorithmBaseTest : public CxxTest::TestSuite {
+class ProcessingAlgorithmBaseTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorProcessingAlgorithmBaseTest *createSuite() {
- return new DataProcessorProcessingAlgorithmBaseTest();
+ static ProcessingAlgorithmBaseTest *createSuite() {
+ return new ProcessingAlgorithmBaseTest();
}
- static void destroySuite(DataProcessorProcessingAlgorithmBaseTest *suite) {
+ static void destroySuite(ProcessingAlgorithmBaseTest *suite) {
delete suite;
}
- DataProcessorProcessingAlgorithmBaseTest() { FrameworkManager::Instance(); };
+ ProcessingAlgorithmBaseTest() { FrameworkManager::Instance(); };
void test_MatrixWorkspace_properties() {
// Test MatrixWorkspace properties
- DataProcessorProcessingAlgorithmBase alg("MultiplyRange");
+ ProcessingAlgorithmBase alg("MultiplyRange");
TS_ASSERT_EQUALS(alg.getInputWsProperties(),
std::vector<QString>{"InputWorkspace"});
TS_ASSERT_EQUALS(alg.getOutputWsProperties(),
@@ -36,7 +35,7 @@ public:
void test_Workspace_properties() {
// Test Workspace properties
- DataProcessorProcessingAlgorithmBase alg("CompareWorkspaces");
+ ProcessingAlgorithmBase alg("CompareWorkspaces");
TS_ASSERT_EQUALS(alg.getInputWsProperties().size(), 2);
TS_ASSERT_EQUALS(alg.getInputStrListProperties(), std::vector<QString>());
@@ -44,7 +43,7 @@ public:
}
void test_StrList_properties() {
- DataProcessorProcessingAlgorithmBase alg("Stitch1DMany");
+ ProcessingAlgorithmBase alg("Stitch1DMany");
TS_ASSERT_EQUALS(alg.getInputStrListProperties(),
std::vector<QString>{"InputWorkspaces"});
TS_ASSERT_EQUALS(alg.getOutputWsProperties(),
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmTest.h b/qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmTest.h
similarity index 73%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmTest.h
rename to qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmTest.h
index b933d579f7e9165781687046df60adaf32fcf388..9cf224252f5455748dcc79e1bfc3502ce4a6b80b 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorProcessingAlgorithmTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/ProcessingAlgorithmTest.h
@@ -7,28 +7,29 @@
#include <QStringList>
#include "MantidAPI/FrameworkManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessingAlgorithm.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessingAlgorithm.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorProcessingAlgorithmTest : public CxxTest::TestSuite {
+class ProcessingAlgorithmTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorProcessingAlgorithmTest *createSuite() {
- return new DataProcessorProcessingAlgorithmTest();
+ static ProcessingAlgorithmTest *createSuite() {
+ return new ProcessingAlgorithmTest();
}
- static void destroySuite(DataProcessorProcessingAlgorithmTest *suite) {
+ static void destroySuite(ProcessingAlgorithmTest *suite) {
delete suite;
}
- DataProcessorProcessingAlgorithmTest() { FrameworkManager::Instance(); };
+ ProcessingAlgorithmTest() { FrameworkManager::Instance(); };
void test_valid_algorithms() {
// Any algorithm with at least one input ws property and one output ws
@@ -36,11 +37,11 @@ public:
// Currently ws must be either MatrixWorkspace or Workspace but this can be
// changed
std::vector<QString> prefix = {"run_"};
- TS_ASSERT_THROWS_NOTHING(DataProcessorProcessingAlgorithm("Rebin", prefix));
+ TS_ASSERT_THROWS_NOTHING(ProcessingAlgorithm("Rebin", prefix));
TS_ASSERT_THROWS_NOTHING(
- DataProcessorProcessingAlgorithm("ExtractSpectra", prefix));
+ ProcessingAlgorithm("ExtractSpectra", prefix));
TS_ASSERT_THROWS_NOTHING(
- DataProcessorProcessingAlgorithm("ConvertUnits", prefix));
+ ProcessingAlgorithm("ConvertUnits", prefix));
}
void test_invalid_algorithms() {
@@ -48,10 +49,10 @@ public:
std::vector<QString> prefix = {"IvsQ_"};
// Algorithms with no input workspace properties
- TS_ASSERT_THROWS(DataProcessorProcessingAlgorithm("Stitch1DMany", prefix),
+ TS_ASSERT_THROWS(ProcessingAlgorithm("Stitch1DMany", prefix),
std::invalid_argument);
// Algorithms with no output workspace properties
- TS_ASSERT_THROWS(DataProcessorProcessingAlgorithm("SaveAscii", prefix),
+ TS_ASSERT_THROWS(ProcessingAlgorithm("SaveAscii", prefix),
std::invalid_argument);
}
void test_ReflectometryReductionOneAuto() {
@@ -63,21 +64,21 @@ public:
std::vector<QString> prefixes;
prefixes.emplace_back("IvsQ_binned_");
// This should throw
- TS_ASSERT_THROWS(DataProcessorProcessingAlgorithm(algName, prefixes,
+ TS_ASSERT_THROWS(ProcessingAlgorithm(algName, prefixes,
std::set<QString>()),
std::invalid_argument);
prefixes.push_back("IvsQ_");
// This should also throw
- TS_ASSERT_THROWS(DataProcessorProcessingAlgorithm(algName, prefixes,
+ TS_ASSERT_THROWS(ProcessingAlgorithm(algName, prefixes,
std::set<QString>()),
std::invalid_argument);
// But this should be OK
prefixes.push_back("IvsLam_");
- TS_ASSERT_THROWS_NOTHING(DataProcessorProcessingAlgorithm(
+ TS_ASSERT_THROWS_NOTHING(ProcessingAlgorithm(
algName, prefixes, std::set<QString>()));
- auto alg = DataProcessorProcessingAlgorithm(algName, prefixes,
+ auto alg = ProcessingAlgorithm(algName, prefixes,
std::set<QString>());
TS_ASSERT_EQUALS(alg.name(), "ReflectometryReductionOneAuto");
TS_ASSERT_EQUALS(alg.numberOfOutputProperties(), 3);
diff --git a/qt/widgets/common/test/DataProcessorUI/QDataProcessorOneLevelTreeModelTest.h b/qt/widgets/common/test/DataProcessorUI/QOneLevelTreeModelTest.h
similarity index 88%
rename from qt/widgets/common/test/DataProcessorUI/QDataProcessorOneLevelTreeModelTest.h
rename to qt/widgets/common/test/DataProcessorUI/QOneLevelTreeModelTest.h
index 188ee7f2d9a17c195ea1f936bf1ee6bff2889d3f..4c8f32c8e2402649d0cd6ea8cba70bca59f4dfd0 100644
--- a/qt/widgets/common/test/DataProcessorUI/QDataProcessorOneLevelTreeModelTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/QOneLevelTreeModelTest.h
@@ -4,17 +4,18 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorOneLevelTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QOneLevelTreeModel.h"
#include <cxxtest/TestSuite.h>
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
-class QDataProcessorOneLevelTreeModelTest : public CxxTest::TestSuite {
+class QOneLevelTreeModelTest : public CxxTest::TestSuite {
public:
// Create a white list
- QDataProcessorOneLevelTreeModelTest() {
+ QOneLevelTreeModelTest() {
m_whitelist.addElement("Column1", "Property1", "Description1");
m_whitelist.addElement("Column2", "Property2", "Description2");
}
@@ -57,18 +58,18 @@ public:
auto ws = oneRowTable();
ws->addColumn("str", "Group");
- TS_ASSERT_THROWS(QDataProcessorOneLevelTreeModel(ws, m_whitelist),
+ TS_ASSERT_THROWS(QOneLevelTreeModel(ws, m_whitelist),
std::invalid_argument);
ws->addColumn("str", "Group1");
ws->addColumn("str", "Group2");
- TS_ASSERT_THROWS(QDataProcessorOneLevelTreeModel(ws, m_whitelist),
+ TS_ASSERT_THROWS(QOneLevelTreeModel(ws, m_whitelist),
std::invalid_argument);
}
void testConstructorOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// One row
TS_ASSERT_EQUALS(model.rowCount(), 1);
@@ -89,7 +90,7 @@ public:
void testConstructorFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Four rows
TS_ASSERT_EQUALS(model.rowCount(), 4);
@@ -114,13 +115,13 @@ public:
void testColumnCount() {
auto ws = oneRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
TS_ASSERT_EQUALS(model.columnCount(), m_whitelist.size());
}
void testIndex() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
TS_ASSERT_EQUALS(model.index(0, 0).row(), 0);
TS_ASSERT_EQUALS(model.index(1, 0).row(), 1);
@@ -130,7 +131,7 @@ public:
void testParent() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
TS_ASSERT_EQUALS(model.parent(model.index(0, 0)), QModelIndex());
TS_ASSERT_EQUALS(model.parent(model.index(1, 0)), QModelIndex());
@@ -140,7 +141,7 @@ public:
void testSetData() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Update some cells with new data
model.setData(model.index(0, 0), "new_value1");
@@ -168,7 +169,7 @@ public:
void testInsertRowsOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Insert rows
@@ -190,7 +191,7 @@ public:
void testRemoveRowsOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Remove the only row
TS_ASSERT_EQUALS(model.removeRows(0, 1), true);
@@ -203,7 +204,7 @@ public:
void testRemoveRowsFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Non-existing row
TS_ASSERT_EQUALS(model.removeRows(10, 1), false);
@@ -221,7 +222,7 @@ public:
void testHighlightFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Non-existent row
TS_ASSERT_EQUALS(model.setProcessed(true, 10), false);
@@ -252,7 +253,7 @@ public:
void testIsProcessedFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorOneLevelTreeModel model(ws, m_whitelist);
+ QOneLevelTreeModel model(ws, m_whitelist);
// Set the 1st and 3rd rows processed
model.setProcessed(true, 0);
@@ -270,7 +271,7 @@ public:
}
private:
- DataProcessorWhiteList m_whitelist;
+ WhiteList m_whitelist;
};
#endif /* MANTID_MANTIDWIDGETS_QDATAPROCESSORONELEVELTREEMODELTEST_H */
diff --git a/qt/widgets/common/test/DataProcessorUI/QDataProcessorTwoLevelTreeModelTest.h b/qt/widgets/common/test/DataProcessorUI/QTwoLevelTreeModelTest.h
similarity index 93%
rename from qt/widgets/common/test/DataProcessorUI/QDataProcessorTwoLevelTreeModelTest.h
rename to qt/widgets/common/test/DataProcessorUI/QTwoLevelTreeModelTest.h
index 7cc4c5a68c564db9f58551dc3da11faeac491df8..24cf788d9e1ea728ac9bd22c0fed06700eb2a8c3 100644
--- a/qt/widgets/common/test/DataProcessorUI/QDataProcessorTwoLevelTreeModelTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/QTwoLevelTreeModelTest.h
@@ -4,17 +4,18 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/QDataProcessorTwoLevelTreeModel.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/QTwoLevelTreeModel.h"
#include <cxxtest/TestSuite.h>
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace Mantid::API;
-class QDataProcessorTwoLevelTreeModelTest : public CxxTest::TestSuite {
+class QTwoLevelTreeModelTest : public CxxTest::TestSuite {
public:
// Constructor (initializes whitelist)
- QDataProcessorTwoLevelTreeModelTest() {
+ QTwoLevelTreeModelTest() {
m_whitelist.addElement("Column1", "Property1", "Description1");
m_whitelist.addElement("Column2", "Property2", "Description2");
}
@@ -89,18 +90,18 @@ public:
auto ws = oneRowTable();
ws->removeColumn("Group");
- TS_ASSERT_THROWS(QDataProcessorTwoLevelTreeModel(ws, m_whitelist),
+ TS_ASSERT_THROWS(QTwoLevelTreeModel(ws, m_whitelist),
std::invalid_argument);
ws->addColumn("str", "Group1");
ws->addColumn("str", "Group2");
- TS_ASSERT_THROWS(QDataProcessorTwoLevelTreeModel(ws, m_whitelist),
+ TS_ASSERT_THROWS(QTwoLevelTreeModel(ws, m_whitelist),
std::invalid_argument);
}
void testConstructorOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// One group
TS_ASSERT_EQUALS(model.rowCount(), 1);
@@ -134,7 +135,7 @@ public:
void testConstructorFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// TWo groups
TS_ASSERT_EQUALS(model.rowCount(), 2);
@@ -185,13 +186,13 @@ public:
void testColumnCount() {
auto ws = oneRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
TS_ASSERT_EQUALS(model.columnCount(), m_whitelist.size());
}
void testIndex() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Group indices
TS_ASSERT_EQUALS(model.index(0, 0).row(), 0);
@@ -206,7 +207,7 @@ public:
void testParent() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Group parent
TS_ASSERT_EQUALS(model.parent(model.index(0, 0)), QModelIndex());
@@ -225,7 +226,7 @@ public:
void testSetData() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Rename groups
model.setData(model.index(0, 0), "new_group_0");
@@ -279,7 +280,7 @@ public:
void testInsertRowsOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Insert rows
@@ -301,7 +302,7 @@ public:
void testInsertGroupsOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Insert groups
@@ -337,7 +338,7 @@ public:
void testRemoveRowsOneRowTable() {
auto ws = oneRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Remove the only row, this should remove the group
TS_ASSERT_EQUALS(model.removeRows(0, 1, model.index(0, 0)), true);
@@ -350,7 +351,7 @@ public:
void testRemoveGroupsFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Non-existing group
TS_ASSERT_EQUALS(model.removeRows(10, 1), false);
@@ -372,7 +373,7 @@ public:
void testRemoveRowsFourRowTable() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Non-existing row in first group
TS_ASSERT_EQUALS(model.removeRows(10, 1, model.index(0, 1)), false);
@@ -452,7 +453,7 @@ public:
<< "13469"
<< "0.7";
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Delete second row
TS_ASSERT_EQUALS(model.removeRows(0, 1, model.index(1, 0)), true);
@@ -492,7 +493,7 @@ public:
void testRemoveRowUnsortedTable() {
// Create a table ws
ITableWorkspace_sptr ws = unsortedFourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Delete second row
TS_ASSERT_EQUALS(model.removeRows(1, 1, model.index(0, 0)), true);
@@ -512,7 +513,7 @@ public:
void testRemoveRowsUnsortedTable() {
// Create a table ws
ITableWorkspace_sptr ws = unsortedFourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Delete two consecutive rows belonging to second group
TS_ASSERT_EQUALS(model.removeRows(0, 2, model.index(1, 0)), true);
@@ -530,7 +531,7 @@ public:
void testRemoveGroupUnsortedTable() {
// Create a table ws
ITableWorkspace_sptr ws = unsortedFourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Delete second group
TS_ASSERT_EQUALS(model.removeRows(1, 1), true);
@@ -558,7 +559,7 @@ public:
<< "group2_row1_col0"
<< "group2_row1_col1";
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Delete second and third groups
TS_ASSERT_EQUALS(model.removeRows(1, 2), true);
@@ -603,7 +604,7 @@ public:
<< "13460"
<< "0.7";
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
ITableWorkspace_sptr ws_model = model.getTableWorkspace();
TS_ASSERT_EQUALS(ws_model->rowCount(), 5);
@@ -621,14 +622,14 @@ public:
void testCountRowsOfNonexistentGroup() {
- QDataProcessorTwoLevelTreeModel model(oneRowTable(), m_whitelist);
+ QTwoLevelTreeModel model(oneRowTable(), m_whitelist);
TS_ASSERT_THROWS_NOTHING(model.rowCount(model.index(1, 0)));
}
void testHighlightTable() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Non-existent row
TS_ASSERT_EQUALS(model.setProcessed(true, 10, model.index(0, 0)), false);
@@ -675,7 +676,7 @@ public:
void testIsProcessed() {
auto ws = fourRowTable();
- QDataProcessorTwoLevelTreeModel model(ws, m_whitelist);
+ QTwoLevelTreeModel model(ws, m_whitelist);
// Set 1st row of 1st group and 2nd group processed
model.setProcessed(true, 0, model.index(0, 0));
@@ -703,7 +704,7 @@ public:
}
private:
- DataProcessorWhiteList m_whitelist;
+ WhiteList m_whitelist;
};
#endif /* MANTID_MANTIDWIDGETS_QDATAPROCESSORTWOLEVELTREEMODELTEST_H */
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorTwoLevelTreeManagerTest.h b/qt/widgets/common/test/DataProcessorUI/TwoLevelTreeManagerTest.h
similarity index 68%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorTwoLevelTreeManagerTest.h
rename to qt/widgets/common/test/DataProcessorUI/TwoLevelTreeManagerTest.h
index 940c982982608199738b94512cbae93c1ebea16a..a1a69085d034ba3ababa2a4463ff1ff1eae46953 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorTwoLevelTreeManagerTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/TwoLevelTreeManagerTest.h
@@ -8,50 +8,51 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorTwoLevelTreeManager.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorAppendRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorClearSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCollapseGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCopySelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorCutSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorDeleteRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExpandGroupsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorExportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorGroupRowsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorImportTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorMockObjects.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorNewTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOpenTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorOptionsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPasteSelectedCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPauseCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotGroupCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorPlotRowCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorProcessCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableAsCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSaveTableCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorSeparatorCommand.h"
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/TwoLevelTreeManager.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/AppendRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ClearSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CollapseGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CopySelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/CutSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/DeleteRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExpandGroupsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ExportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/GroupRowsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ImportTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/MockObjects.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/NewTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OpenTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/OptionsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PasteSelectedCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PauseCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotGroupCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/PlotRowCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/ProcessCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableAsCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SaveTableCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/SeparatorCommand.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
using namespace Mantid::API;
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace testing;
using Runs = std::vector<std::map<QString, QString>>;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorTwoLevelTreeManagerTest : public CxxTest::TestSuite {
+class TwoLevelTreeManagerTest : public CxxTest::TestSuite {
private:
// Return a reflectometry whitelist
- DataProcessorWhiteList reflWhitelist() {
+ WhiteList reflWhitelist() {
// Reflectometry white list
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Run(s)", "InputWorkspace", "", true, "TOF_");
whitelist.addElement("Angle", "ThetaIn", "");
whitelist.addElement("Transmission Run(s)", "FirstTransmissionRun", "",
@@ -123,55 +124,55 @@ private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorTwoLevelTreeManagerTest *createSuite() {
- return new DataProcessorTwoLevelTreeManagerTest();
+ static TwoLevelTreeManagerTest *createSuite() {
+ return new TwoLevelTreeManagerTest();
}
- static void destroySuite(DataProcessorTwoLevelTreeManagerTest *suite) {
+ static void destroySuite(TwoLevelTreeManagerTest *suite) {
delete suite;
}
void test_publish_commands() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter,
- DataProcessorWhiteList());
+ TwoLevelTreeManager manager(&presenter,
+ WhiteList());
auto comm = manager.publishCommands();
TS_ASSERT_EQUALS(comm.size(), 31);
- TS_ASSERT(dynamic_cast<DataProcessorOpenTableCommand *>(comm[0].get()));
- TS_ASSERT(dynamic_cast<DataProcessorNewTableCommand *>(comm[1].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSaveTableCommand *>(comm[2].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSaveTableAsCommand *>(comm[3].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[4].get()));
- TS_ASSERT(dynamic_cast<DataProcessorImportTableCommand *>(comm[5].get()));
- TS_ASSERT(dynamic_cast<DataProcessorExportTableCommand *>(comm[6].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[7].get()));
- TS_ASSERT(dynamic_cast<DataProcessorOptionsCommand *>(comm[8].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[9].get()));
- TS_ASSERT(dynamic_cast<DataProcessorProcessCommand *>(comm[10].get()));
- TS_ASSERT(dynamic_cast<DataProcessorPauseCommand *>(comm[11].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[12].get()));
- TS_ASSERT(dynamic_cast<DataProcessorExpandCommand *>(comm[13].get()));
- TS_ASSERT(dynamic_cast<DataProcessorExpandGroupsCommand *>(comm[14].get()));
+ TS_ASSERT(dynamic_cast<OpenTableCommand *>(comm[0].get()));
+ TS_ASSERT(dynamic_cast<NewTableCommand *>(comm[1].get()));
+ TS_ASSERT(dynamic_cast<SaveTableCommand *>(comm[2].get()));
+ TS_ASSERT(dynamic_cast<SaveTableAsCommand *>(comm[3].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[4].get()));
+ TS_ASSERT(dynamic_cast<ImportTableCommand *>(comm[5].get()));
+ TS_ASSERT(dynamic_cast<ExportTableCommand *>(comm[6].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[7].get()));
+ TS_ASSERT(dynamic_cast<OptionsCommand *>(comm[8].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[9].get()));
+ TS_ASSERT(dynamic_cast<ProcessCommand *>(comm[10].get()));
+ TS_ASSERT(dynamic_cast<PauseCommand *>(comm[11].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[12].get()));
+ TS_ASSERT(dynamic_cast<ExpandCommand *>(comm[13].get()));
+ TS_ASSERT(dynamic_cast<ExpandGroupsCommand *>(comm[14].get()));
TS_ASSERT(
- dynamic_cast<DataProcessorCollapseGroupsCommand *>(comm[15].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[16].get()));
- TS_ASSERT(dynamic_cast<DataProcessorPlotRowCommand *>(comm[17].get()));
- TS_ASSERT(dynamic_cast<DataProcessorPlotGroupCommand *>(comm[18].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[19].get()));
- TS_ASSERT(dynamic_cast<DataProcessorAppendRowCommand *>(comm[20].get()));
- TS_ASSERT(dynamic_cast<DataProcessorAppendGroupCommand *>(comm[21].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[22].get()));
- TS_ASSERT(dynamic_cast<DataProcessorGroupRowsCommand *>(comm[23].get()));
- TS_ASSERT(dynamic_cast<DataProcessorCopySelectedCommand *>(comm[24].get()));
- TS_ASSERT(dynamic_cast<DataProcessorCutSelectedCommand *>(comm[25].get()));
+ dynamic_cast<CollapseGroupsCommand *>(comm[15].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[16].get()));
+ TS_ASSERT(dynamic_cast<PlotRowCommand *>(comm[17].get()));
+ TS_ASSERT(dynamic_cast<PlotGroupCommand *>(comm[18].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[19].get()));
+ TS_ASSERT(dynamic_cast<AppendRowCommand *>(comm[20].get()));
+ TS_ASSERT(dynamic_cast<AppendGroupCommand *>(comm[21].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[22].get()));
+ TS_ASSERT(dynamic_cast<GroupRowsCommand *>(comm[23].get()));
+ TS_ASSERT(dynamic_cast<CopySelectedCommand *>(comm[24].get()));
+ TS_ASSERT(dynamic_cast<CutSelectedCommand *>(comm[25].get()));
TS_ASSERT(
- dynamic_cast<DataProcessorPasteSelectedCommand *>(comm[26].get()));
+ dynamic_cast<PasteSelectedCommand *>(comm[26].get()));
TS_ASSERT(
- dynamic_cast<DataProcessorClearSelectedCommand *>(comm[27].get()));
- TS_ASSERT(dynamic_cast<DataProcessorSeparatorCommand *>(comm[28].get()));
- TS_ASSERT(dynamic_cast<DataProcessorDeleteRowCommand *>(comm[29].get()));
- TS_ASSERT(dynamic_cast<DataProcessorDeleteGroupCommand *>(comm[30].get()));
+ dynamic_cast<ClearSelectedCommand *>(comm[27].get()));
+ TS_ASSERT(dynamic_cast<SeparatorCommand *>(comm[28].get()));
+ TS_ASSERT(dynamic_cast<DeleteRowCommand *>(comm[29].get()));
+ TS_ASSERT(dynamic_cast<DeleteGroupCommand *>(comm[30].get()));
}
void test_append_row() {
@@ -179,7 +180,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -196,7 +197,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -211,7 +212,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren())
@@ -226,7 +227,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents())
.Times(1)
@@ -241,7 +242,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren())
@@ -256,7 +257,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren())
@@ -271,7 +272,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren())
@@ -286,7 +287,7 @@ public:
// checking that the presenter is called
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
EXPECT_CALL(presenter, selectedParents()).Times(0);
EXPECT_CALL(presenter, selectedChildren()).Times(0);
@@ -298,7 +299,7 @@ public:
NiceMock<MockDataProcessorPresenter> presenter;
auto table = reflTable();
auto whitelist = reflWhitelist();
- DataProcessorTwoLevelTreeManager manager(&presenter, whitelist);
+ TwoLevelTreeManager manager(&presenter, whitelist);
TS_ASSERT_THROWS_NOTHING(manager.newTable(table, whitelist));
QStringList firstRow = {"12345", "0.5", "", "0.1", "1.6", "0.04", "1", ""};
@@ -327,7 +328,7 @@ public:
NiceMock<MockDataProcessorPresenter> presenter;
auto table = reflTable();
auto whitelist = reflWhitelist();
- DataProcessorTwoLevelTreeManager manager(&presenter, whitelist);
+ TwoLevelTreeManager manager(&presenter, whitelist);
TS_ASSERT_THROWS_NOTHING(manager.newTable(table, whitelist));
TS_ASSERT_EQUALS(manager.getTableWorkspace()->rowCount(), 4);
@@ -350,7 +351,7 @@ public:
void test_transfer_fails_no_group() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Runs", "12345"}}};
TS_ASSERT_THROWS_ANYTHING(manager.transfer(runs, reflWhitelist()));
@@ -358,15 +359,15 @@ public:
void test_transfer_fails_wrong_whitelist() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Group", "0"}, {"Runs", "12345"}}};
- TS_ASSERT_THROWS_ANYTHING(manager.transfer(runs, DataProcessorWhiteList()));
+ TS_ASSERT_THROWS_ANYTHING(manager.transfer(runs, WhiteList()));
}
void test_transfer_nothing_transferred() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Group", "0"}, {"Runs", "12345"}}};
TS_ASSERT_THROWS_NOTHING(manager.transfer(runs, reflWhitelist()));
@@ -374,7 +375,7 @@ public:
void test_transfer_good_data() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
Runs runs = {{{"Group", "Group0"},
{"Run(s)", "12345"},
@@ -444,7 +445,7 @@ public:
void test_update() {
NiceMock<MockDataProcessorPresenter> presenter;
- DataProcessorTwoLevelTreeManager manager(&presenter, reflWhitelist());
+ TwoLevelTreeManager manager(&presenter, reflWhitelist());
QStringList newRow = {"0", "1", "2", "3", "4", "5", "6", "7"};
diff --git a/qt/widgets/common/test/DataProcessorUI/DataProcessorWhiteListTest.h b/qt/widgets/common/test/DataProcessorUI/WhiteListTest.h
similarity index 88%
rename from qt/widgets/common/test/DataProcessorUI/DataProcessorWhiteListTest.h
rename to qt/widgets/common/test/DataProcessorUI/WhiteListTest.h
index 30e8b96eefcbc928c15d11ef2a5215d3a191fd15..10436d59a2393075045bac15f18b55ebf3cdf9f3 100644
--- a/qt/widgets/common/test/DataProcessorUI/DataProcessorWhiteListTest.h
+++ b/qt/widgets/common/test/DataProcessorUI/WhiteListTest.h
@@ -5,27 +5,28 @@
#include <gmock/gmock.h>
#include <gtest/gtest.h>
-#include "MantidQtWidgets/Common/DataProcessorUI/DataProcessorWhiteList.h"
+#include "MantidQtWidgets/Common/DataProcessorUI/WhiteList.h"
using namespace MantidQt::MantidWidgets;
+using namespace MantidQt::MantidWidgets::DataProcessor;
using namespace testing;
//=====================================================================================
// Functional tests
//=====================================================================================
-class DataProcessorWhiteListTest : public CxxTest::TestSuite {
+class WhiteListTest : public CxxTest::TestSuite {
private:
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
- static DataProcessorWhiteListTest *createSuite() {
- return new DataProcessorWhiteListTest();
+ static WhiteListTest *createSuite() {
+ return new WhiteListTest();
}
- static void destroySuite(DataProcessorWhiteListTest *suite) { delete suite; }
+ static void destroySuite(WhiteListTest *suite) { delete suite; }
void test_column_index() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column2", "Property2", "Description2");
whitelist.addElement("Column3", "Property3", "Description3");
@@ -46,7 +47,7 @@ public:
}
void test_column_name() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column2", "Property2", "Description2");
whitelist.addElement("Column3", "Property3", "Description3");
@@ -61,7 +62,7 @@ public:
}
void test_column_property() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column2", "Property2", "Description2");
whitelist.addElement("Column3", "Property3", "Description3");
@@ -75,7 +76,7 @@ public:
}
void test_column_description() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column2", "Property2", "Description2");
whitelist.addElement("Column3", "Property3", "Description3");
@@ -90,7 +91,7 @@ public:
}
void test_column_showValue() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column3", "Property3", "Description3", true);
@@ -101,7 +102,7 @@ public:
}
void test_column_prefix() {
- DataProcessorWhiteList whitelist;
+ WhiteList whitelist;
whitelist.addElement("Column1", "Property1", "Description1");
whitelist.addElement("Column3", "Property3", "Description3", true, "blah");
diff --git a/qt/widgets/common/test/DataProcessorUI/ParseKeyValueStringTest.h b/qt/widgets/common/test/ParseKeyValueStringTest.h
similarity index 65%
rename from qt/widgets/common/test/DataProcessorUI/ParseKeyValueStringTest.h
rename to qt/widgets/common/test/ParseKeyValueStringTest.h
index 3664d873ad03a5b1e5231e1f21820bdfe0842722..f3fb517682785f000d3589d6a447819ff7e4f0c5 100644
--- a/qt/widgets/common/test/DataProcessorUI/ParseKeyValueStringTest.h
+++ b/qt/widgets/common/test/ParseKeyValueStringTest.h
@@ -1,15 +1,17 @@
#ifndef MANTID_MANTIDWIDGETS_PARSEKEYVALUESTRINGTEST_H
#define MANTID_MANTIDWIDGETS_PARSEKEYVALUESTRINGTEST_H
-#include "MantidQtWidgets/Common/DataProcessorUI/ParseKeyValueString.h"
+#include "MantidQtWidgets/Common/ParseKeyValueString.h"
#include <cxxtest/TestSuite.h>
+using MantidQt::MantidWidgets::parseKeyValueString;
+
class ParseKeyValueStringTest : public CxxTest::TestSuite {
public:
void testParseKeyValueString() {
std::map<std::string, std::string> kvp =
- MantidQt::MantidWidgets::parseKeyValueString(
+ parseKeyValueString(
"a = 1,b=2.0, c=3, d='1,2,3',e=\"4,5,6\",f=1+1=2, g = '\\''");
TS_ASSERT_EQUALS(kvp["a"], "1");
@@ -21,17 +23,17 @@ public:
TS_ASSERT_EQUALS(kvp["g"], "'");
TS_ASSERT_THROWS(
- MantidQt::MantidWidgets::parseKeyValueString("a = 1, b = 2, c = 3,"),
+ parseKeyValueString("a = 1, b = 2, c = 3,"),
std::runtime_error);
TS_ASSERT_THROWS(
- MantidQt::MantidWidgets::parseKeyValueString("a = 1, b = 2, c = 3,d"),
+ parseKeyValueString("a = 1, b = 2, c = 3,d"),
std::runtime_error);
- TS_ASSERT_THROWS(MantidQt::MantidWidgets::parseKeyValueString(",a = 1"),
+ TS_ASSERT_THROWS(parseKeyValueString(",a = 1"),
std::runtime_error);
TS_ASSERT_THROWS(
- MantidQt::MantidWidgets::parseKeyValueString(",a = 1 = 2,="),
+ parseKeyValueString(",a = 1 = 2,="),
std::runtime_error);
- TS_ASSERT_THROWS(MantidQt::MantidWidgets::parseKeyValueString("=,=,="),
+ TS_ASSERT_THROWS(parseKeyValueString("=,=,="),
std::runtime_error);
}
};
diff --git a/scripts/AbinsModules/AbinsConstants.py b/scripts/AbinsModules/AbinsConstants.py
index 9ca182a5f035b5262b497c85c27fa86d23b002b6..1bd3497eb2c41cc41b6acac048ad5169102349af 100644
--- a/scripts/AbinsModules/AbinsConstants.py
+++ b/scripts/AbinsModules/AbinsConstants.py
@@ -128,9 +128,7 @@ NUM_ZERO = 10e-15
MAX_ORDER = 4 # max quantum order event
-NUMPY_VERSION_REQUIRED = "1.6.0" # Abins requires numpy 1.6.0 or higher
-
-ALL_SUPPORTED_DFT_PROGRAMS = ["CRYSTAL", "CASTEP", "DMOL3"]
+ALL_SUPPORTED_DFT_PROGRAMS = ["CRYSTAL", "CASTEP", "DMOL3", "GAUSSIAN"]
ONE_DIMENSIONAL_INSTRUMENTS = ["TOSCA"]
ONE_DIMENSIONAL_SPECTRUM = 1
@@ -172,3 +170,5 @@ MAX_THRESHOLD = 0.3
ONE_CHARACTER = 1
EOF = b""
+
+ROTATIONS_AND_TRANSLATIONS = 6
diff --git a/scripts/AbinsModules/AbinsTestHelpers.py b/scripts/AbinsModules/AbinsTestHelpers.py
index f8d4defc896d2486c8be0d5bdc1aee59dd84c9f4..5fbc75babe1465ac16a0ef2f4a8baffd9193ea27 100644
--- a/scripts/AbinsModules/AbinsTestHelpers.py
+++ b/scripts/AbinsModules/AbinsTestHelpers.py
@@ -1,44 +1,14 @@
from __future__ import (absolute_import, division, print_function)
-import re
import os
-import AbinsModules
# Module with helper functions used to create tests.
-def version_as_tuple(string=None):
- """
- Calculates numerical representation of package version as a tuple.
-
- :param string: version of package in the format number1.number2.number3....numberN
- :return: numerical representation of package version in the form of tuple (number1, number2 ...., numberN)
- """
- if not isinstance(string, str):
- raise ValueError("Version of package in the form of string is expected.")
- if "." not in string:
- raise ValueError("Invalid format of package version.")
-
- try:
- return tuple([int(i) for i in re.findall(r'\d+', string=string)])
- except:
- raise ValueError("Version of package couldn't be converted to number. (version=", string)
-
-
-def is_numpy_valid(string=None):
- """
-
- :param string: version of numpy to be checked in the format number1.number2.number3
- :return: False if version of numpy is valid otherwise True
- """
-
- return version_as_tuple(string=string) < version_as_tuple(AbinsModules.AbinsConstants.NUMPY_VERSION_REQUIRED)
-
-
def find_file(filename=None):
"""
Calculates path of filename with the testing data. Path is determined in the platform independent way.
:param filename: name of file to find
- :return: full path for the file with the testing data
+ :returns: full path for the file with the testing data
"""
from mantid.api import FileFinder
return FileFinder.Instance().getFullPath(filename)
diff --git a/scripts/AbinsModules/AtomsData.py b/scripts/AbinsModules/AtomsData.py
index ba32848912e003be55d0b16ff711baebac149736..47eb8cabbba40906dc9aa519a04fe9ee4c62d330 100644
--- a/scripts/AbinsModules/AtomsData.py
+++ b/scripts/AbinsModules/AtomsData.py
@@ -20,7 +20,7 @@ class AtomsDaTa(AbinsModules.GeneralData):
def _append(self, item=None):
"""
Adds one elements to the collection of atoms data.
- @param item: element to be added
+ :param item: element to be added
"""
if not isinstance(item, dict):
diff --git a/scripts/AbinsModules/CalculateDWSingleCrystal.py b/scripts/AbinsModules/CalculateDWSingleCrystal.py
index 019a0974b421bd69924af162ee1cf9ffcb19b19b..45985aa4730ea87b6d5beaa90255aeb6888c9de8 100644
--- a/scripts/AbinsModules/CalculateDWSingleCrystal.py
+++ b/scripts/AbinsModules/CalculateDWSingleCrystal.py
@@ -97,7 +97,7 @@ class CalculateDWSingleCrystal(object):
def calculate_data(self):
"""
Calculates Debye-Waller factors.
- :return: object of type DwData with Debye-Waller factors.
+ :returns: object of type DwData with Debye-Waller factors.
"""
data = self._calculate_dw()
diff --git a/scripts/AbinsModules/CalculatePowder.py b/scripts/AbinsModules/CalculatePowder.py
index d99766d14e43d8d60a2a1f9e5133e06eee8b9ee6..2c96277e94c73c4e74d6dab35adb1286a60b33a4 100644
--- a/scripts/AbinsModules/CalculatePowder.py
+++ b/scripts/AbinsModules/CalculatePowder.py
@@ -96,7 +96,7 @@ class CalculatePowder(object):
def get_formatted_data(self):
"""
Method to obtain data.
- :return: obtained data
+ :returns: obtained data
"""
try:
self._clerk.check_previous_data()
@@ -114,7 +114,7 @@ class CalculatePowder(object):
def calculate_data(self):
"""
Calculates mean square displacements.
- :return: object of type PowderData with mean square displacements.
+ :returns: object of type PowderData with mean square displacements.
"""
data = self._calculate_powder()
@@ -128,7 +128,7 @@ class CalculatePowder(object):
def load_formatted_data(self):
"""
Loads mean square displacements.
- :return: object of type PowderData with mean square displacements.
+ :returns: object of type PowderData with mean square displacements.
"""
data = self._clerk.load(list_of_datasets=["powder_data"])
k_pkt = AbinsModules.AbinsConstants.GAMMA_POINT
diff --git a/scripts/AbinsModules/CalculateSingleCrystal.py b/scripts/AbinsModules/CalculateSingleCrystal.py
index 30922da7dbf84cdbfef3b7eafd3034811c868c8e..c5ca4b1af9cdefaf9533d1110cbe445c41b9833c 100644
--- a/scripts/AbinsModules/CalculateSingleCrystal.py
+++ b/scripts/AbinsModules/CalculateSingleCrystal.py
@@ -5,9 +5,9 @@ import AbinsModules
class CalculateSingleCrystal(AbinsModules.IOmodule):
def __init__(self, filename=None, abins_data=None, temperature=None):
"""
- @param filename: name of input DFT filename
- @param abins_data: object of type AbinsData with data from phonon DFT file
- @param temperature: temperature in K
+ :param filename: name of input DFT filename
+ :param abins_data: object of type AbinsData with data from phonon DFT file
+ :param temperature: temperature in K
"""
if not isinstance(abins_data, AbinsModules.AbinsData):
raise ValueError("Object of AbinsData was expected.")
@@ -37,7 +37,7 @@ class CalculateSingleCrystal(AbinsModules.IOmodule):
Calculates data needed for calculation of S(Q, omega) in case experimental sample is in
the form of single crystal.
Saves calculated data to an hdf file.
- @return: object of type SingleCrystalData
+ :returns: object of type SingleCrystalData
"""
data = self._calculate_crystal()
diff --git a/scripts/AbinsModules/DWSingleCrystalData.py b/scripts/AbinsModules/DWSingleCrystalData.py
index 7de936a3c11a677f974791bca7ea2aa45dee9cd1..85949234f5ec54979ed9c62fec5db5771a3a02c4 100644
--- a/scripts/AbinsModules/DWSingleCrystalData.py
+++ b/scripts/AbinsModules/DWSingleCrystalData.py
@@ -12,8 +12,8 @@ class DWSingleCrystalData(AbinsModules.GeneralData):
"""
def __init__(self, temperature=None, num_atoms=None):
"""
- @param temperature: temperature in K
- @param num_atoms: number of atoms in the unit cell
+ :param temperature: temperature in K
+ :param num_atoms: number of atoms in the unit cell
"""
super(DWSingleCrystalData, self).__init__()
@@ -33,8 +33,8 @@ class DWSingleCrystalData(AbinsModules.GeneralData):
"""
Appends DW tensor for one atom.
- @param item: DW tensor for one atom.
- @param num_atom: number of atom
+ :param item: DW tensor for one atom.
+ :param num_atom: number of atom
"""
@@ -44,7 +44,7 @@ class DWSingleCrystalData(AbinsModules.GeneralData):
def set(self, items=None):
"""
Sets a new value for DW factors.
- @param items: new value of DW
+ :param items: new value of DW
"""
self._check_items(items=items)
@@ -62,8 +62,8 @@ class DWSingleCrystalData(AbinsModules.GeneralData):
def _check_item(self, data=None, atom=None):
"""
Checks if structure of Debye-Waller factor is valid.
- @param data: Debye-Waller factor to check
- @param atom: number of atom
+ :param data: Debye-Waller factor to check
+ :param atom: number of atom
"""
if not isinstance(atom, six.integer_types):
raise ValueError("Number of atom should be an integer.")
@@ -81,7 +81,7 @@ class DWSingleCrystalData(AbinsModules.GeneralData):
def _check_items(self, items=None):
"""
Checks if structure of Debye-Waller factor is valid.
- @param items: Debye-Waller factor to check
+ :param items: Debye-Waller factor to check
"""
if not isinstance(items, np.ndarray):
diff --git a/scripts/AbinsModules/FrequencyPowderGenerator.py b/scripts/AbinsModules/FrequencyPowderGenerator.py
index 27fe12ef370ef6baf175ad17dfe1516cb22fa57e..1259070d87afa67bdbbfd1055911a5bc77bc4ac3 100644
--- a/scripts/AbinsModules/FrequencyPowderGenerator.py
+++ b/scripts/AbinsModules/FrequencyPowderGenerator.py
@@ -18,12 +18,12 @@ class FrequencyPowderGenerator(object):
"""
Generates frequencies for the given order of quantum event.
- @param previous_array: array with frequencies for the previous quantum event
- @param previous_coefficients: coefficients which correspond to the previous order quantum event
- @param fundamentals_array: array with frequencies for fundamentals
- @param fundamentals_coefficients: coefficients for fundamentals
- @param quantum_order: number of quantum order event for which new array should be constructed
- @return: array with frequencies for the required quantum number event, array which stores coefficients for all
+ :param previous_array: array with frequencies for the previous quantum event
+ :param previous_coefficients: coefficients which correspond to the previous order quantum event
+ :param fundamentals_array: array with frequencies for fundamentals
+ :param fundamentals_coefficients: coefficients for fundamentals
+ :param quantum_order: number of quantum order event for which new array should be constructed
+ :returns: array with frequencies for the required quantum number event, array which stores coefficients for all
frequencies
"""
if not (isinstance(fundamentals_array, np.ndarray) and
diff --git a/scripts/AbinsModules/GeneralDFTParser.py b/scripts/AbinsModules/GeneralDFTParser.py
index 7108ce7ed510d1d552c5a7f89c1ff1b1f12386a5..da2250004093ffcf42472c98cc5a4a0d48c3aa3b 100644
--- a/scripts/AbinsModules/GeneralDFTParser.py
+++ b/scripts/AbinsModules/GeneralDFTParser.py
@@ -52,7 +52,7 @@ class GeneralDFTParser(object):
"""
Checks end of the text file.
:param file_obj: file object which was open in "r" mode
- :return: True if end of file, otherwise False
+ :returns: True if end of file, otherwise False
"""
n = AbinsModules.AbinsConstants.ONE_CHARACTER
pos = file_obj.tell()
@@ -68,7 +68,7 @@ class GeneralDFTParser(object):
Checks for msg which terminates block.
:param file_obj: file object from which we read
:param msg: list with messages which end kpoint block.
- :return: True if end of block otherwise False
+ :returns: True if end of block otherwise False
"""
for item in msg:
pos = file_obj.tell()
diff --git a/scripts/AbinsModules/GeneralDFTProgram.py b/scripts/AbinsModules/GeneralDFTProgram.py
index 4c2bb02929a78c8f55311b53c17afa0d112b5097..31f96c17b5943c0811702917442c31ad3fa0e217 100644
--- a/scripts/AbinsModules/GeneralDFTProgram.py
+++ b/scripts/AbinsModules/GeneralDFTProgram.py
@@ -105,7 +105,7 @@ class GeneralDFTProgram(object):
For more details about these fields please look at the documentation of IOmodule class.
- @return: Method should return an object of type AbinsData.
+ :returns: Method should return an object of type AbinsData.
"""
return None
@@ -113,7 +113,7 @@ class GeneralDFTProgram(object):
def load_formatted_data(self):
"""
Loads data from hdf file. After data is loaded it is put into AbinsData object.
- @return:
+ :returns: object of type AbinsData
"""
data = self._clerk.load(list_of_datasets=["frequencies", "weights", "k_vectors",
"atomic_displacements", "unit_cell", "atoms"])
@@ -134,7 +134,7 @@ class GeneralDFTProgram(object):
def _recover_symmetry_points(self, data=None):
"""
This method reconstructs symmetry equivalent k-points.
- @param data: dictionary with the data for only symmetry inequivalent k-points. This methods
+ :param data: dictionary with the data for only symmetry inequivalent k-points. This methods
adds to this dictionary phonon data for symmetry equivalent k-points.
"""
@@ -145,8 +145,8 @@ class GeneralDFTProgram(object):
This method rearranges data read from phonon DFT file. It converts masses and frequencies Hartree atomic units.
It converts atomic displacements from atomic units to Angstroms
- @param data: dictionary with the data to rearrange
- @return: Returns an object of type AbinsData
+ :param data: dictionary with the data to rearrange
+ :returns: Returns an object of type AbinsData
"""
k_points = AbinsModules.KpointsData(num_atoms=self._num_atoms, num_k=self._num_k)
diff --git a/scripts/AbinsModules/GeneralData.py b/scripts/AbinsModules/GeneralData.py
index f4905b2ceebc5f5023d6e0e38ac450b9d4582b55..e6f77be703be8ab2c57aab3fc2c1a11136a0eaaf 100644
--- a/scripts/AbinsModules/GeneralData.py
+++ b/scripts/AbinsModules/GeneralData.py
@@ -17,7 +17,7 @@ class GeneralData(object):
def extract(self):
"""
Returns the data.
- @return: data
+ :returns: data
"""
return None
diff --git a/scripts/AbinsModules/GeneralLoadDFTTester.py b/scripts/AbinsModules/GeneralLoadDFTTester.py
index 49fcdf23d6d3819374c8341bdb9425c0cc7f9a49..86b061a782e80c2523c894a461e6717805ef52f4 100644
--- a/scripts/AbinsModules/GeneralLoadDFTTester.py
+++ b/scripts/AbinsModules/GeneralLoadDFTTester.py
@@ -6,7 +6,7 @@ import numpy as np
class GeneralLoadDFTTester(object):
- _loaders_extensions = {"LoadCASTEP": "phonon", "LoadCRYSTAL": "out", "LoadDMOL3": "outmol"}
+ _loaders_extensions = {"LoadCASTEP": "phonon", "LoadCRYSTAL": "out", "LoadDMOL3": "outmol", "LoadGAUSSIAN": "log"}
# noinspection PyMethodMayBeStatic
def _prepare_data(self, filename=None):
@@ -117,7 +117,7 @@ class GeneralLoadDFTTester(object):
Reads data from .{extension} file.
:param loader: DFT loader
:param filename: name of file with phonon data (name + extension)
- :return: phonon data
+ :returns: phonon data
"""
# 1) Read data
filename = AbinsModules.AbinsTestHelpers.find_file(filename=filename + "." + extension)
@@ -134,7 +134,7 @@ class GeneralLoadDFTTester(object):
def _get_reader_data(self, dft_reader=None):
"""
:param dft_reader: object of type GeneralDFTProgram
- :return: read data
+ :returns: read data
"""
abins_type_data = dft_reader.read_phonon_file()
data = {"datasets": abins_type_data.extract(),
diff --git a/scripts/AbinsModules/IOmodule.py b/scripts/AbinsModules/IOmodule.py
index c065a3bd7188bde8226b4f882fead9bb88444bfe..aa62ea433980879ef1683e477a8443fff998a4e5 100644
--- a/scripts/AbinsModules/IOmodule.py
+++ b/scripts/AbinsModules/IOmodule.py
@@ -67,7 +67,7 @@ class IOmodule(object):
def _valid_hash(self):
"""
Checks if input DFT file and content of HDF file are consistent.
- @return: True if consistent, otherwise False.
+ :returns: True if consistent, otherwise False.
"""
saved_hash = self.load(list_of_attributes=["hash"])
return self._hash_input_filename == saved_hash["attributes"]["hash"]
@@ -83,7 +83,7 @@ class IOmodule(object):
def get_previous_dft_program(self):
"""
- :return: name of DFT program which was used in the previous calculation.
+ :returns: name of DFT program which was used in the previous calculation.
"""
return self.load(list_of_attributes=["DFT_program"])["attributes"]["DFT_program"]
@@ -111,15 +111,14 @@ class IOmodule(object):
def add_attribute(self, name=None, value=None):
"""
Adds attribute to the dictionary with other attributes.
- @param name: name of the attribute
- @param value: value of the attribute. More about attributes at: http://docs.h5py.org/en/latest/high/attr.html
+ :param name: name of the attribute
+ :param value: value of the attribute. More about attributes at: http://docs.h5py.org/en/latest/high/attr.html
"""
self._attributes[name] = value
def add_file_attributes(self):
"""
Adds file attributes: filename and hash of file to the collection of all attributes.
- @return:
"""
self.add_attribute("hash", self._hash_input_filename)
self.add_attribute("filename", self._input_filename)
@@ -128,8 +127,8 @@ class IOmodule(object):
def add_data(self, name=None, value=None):
"""
Adds data to the dictionary with the collection of other datasets.
- @param name: name of dataset
- @param value: value of dataset. Numpy array is expected or complex data sets which have the form of Python
+ :param name: name of dataset
+ :param value: value of dataset. Numpy array is expected or complex data sets which have the form of Python
dictionaries or list of Python dictionaries. More about dataset at:
http://docs.h5py.org/en/latest/high/dataset.html
"""
@@ -138,7 +137,7 @@ class IOmodule(object):
def _save_attributes(self, group=None):
"""
Saves attributes to an hdf file.
- @param group: group to which attributes should be saved.
+ :param group: group to which attributes should be saved.
"""
for name in self._attributes:
if isinstance(self._attributes[name], (np.int64, int, np.float64, float, str, bytes)):
@@ -150,9 +149,9 @@ class IOmodule(object):
def _recursively_save_structured_data_to_group(self, hdf_file=None, path=None, dic=None):
"""
Helper function for saving structured data into an hdf file.
- @param hdf_file: hdf file object
- @param path: absolute name of the group
- @param dic: dictionary to be added
+ :param hdf_file: hdf file object
+ :param path: absolute name of the group
+ :param dic: dictionary to be added
"""
for key, item in dic.items():
@@ -174,8 +173,8 @@ class IOmodule(object):
"""
Saves data in the form of numpy array, dictionary or list of dictionaries. In case data in group already exist
it will be overridden.
- @param hdf_file: hdf file object to which data should be saved
- @param group: group to which data should be saved.
+ :param hdf_file: hdf file object to which data should be saved
+ :param group: group to which data should be saved.
"""
@@ -235,8 +234,8 @@ class IOmodule(object):
def _list_of_str(self, list_str=None):
"""
Checks if all elements of the list are strings.
- @param list_str: list to check
- @return: True if each entry in the list is a string, otherwise False
+ :param list_str: list to check
+ :returns: True if each entry in the list is a string, otherwise False
"""
if list_str is None:
return False
@@ -250,9 +249,9 @@ class IOmodule(object):
def _load_attributes(self, list_of_attributes=None, group=None):
"""
Loads collection of attributes from the given group.
- @param list_of_attributes:
- @param group:
- @return: dictionary with attributes
+ :param list_of_attributes:
+ :param group: name of group
+ :returns: dictionary with attributes
"""
results = {}
@@ -264,9 +263,9 @@ class IOmodule(object):
def _load_attribute(self, name=None, group=None):
"""
Loads attribute.
- @param group: group in hdf file
- @param name: name of attribute
- @return: value of attribute
+ :param group: group in hdf file
+ :param name: name of attribute
+ :returns: value of attribute
"""
if name not in group.attrs:
raise ValueError("Attribute %s in not present in %s file." % (name, self._hdf_filename))
@@ -276,10 +275,10 @@ class IOmodule(object):
def _load_datasets(self, hdf_file=None, list_of_datasets=None, group=None):
"""
Loads structured dataset which has a form of Python dictionary directly from an hdf file.
- @param hdf_file: hdf file object from which data should be loaded
- @param list_of_datasets: list with names of datasets to be loaded
- @param group:
- @return:
+ :param hdf_file: hdf file object from which data should be loaded
+ :param list_of_datasets: list with names of datasets to be loaded
+ :param group: name of group
+ :returns: dictionary with datasets
"""
results = {}
@@ -292,8 +291,8 @@ class IOmodule(object):
def _get_subgrp_name(self, path=None):
"""
Extracts name of the particular subgroup from the absolute name.
- @param path: absolute name of subgroup
- @return: name of subgroup
+ :param path: absolute name of subgroup
+ :returns: name of subgroup
"""
reversed_path = path[::-1]
end = reversed_path.find("/")
@@ -304,8 +303,8 @@ class IOmodule(object):
"""
Convert atom element from unicode to str
but only in Python 2 where unicode handling is a mess
- @param item: converts unicode to item
- @return: converted element
+ :param item: converts unicode to item
+ :returns: converted element
"""
assert isinstance(item, six.text_type)
return item.encode('utf-8')
@@ -315,7 +314,7 @@ class IOmodule(object):
Converts unicode to Python str, works for nested dicts and lists (recursive algorithm). Only required
for Python 2 where a mismatch with unicode/str objects is a problem for dictionary lookup
- @param object_to_check: dictionary, or list with names which should be converted from unicode to string.
+ :param object_to_check: dictionary, or list with names which should be converted from unicode to string.
"""
if six.PY2:
if isinstance(object_to_check, list):
@@ -343,10 +342,10 @@ class IOmodule(object):
def _load_dataset(self, hdf_file=None, name=None, group=None):
"""
Loads one structured dataset.
- @param hdf_file: hdf file object from which structured dataset should be loaded.
- @param name: name of dataset
- @param group: name of the main group
- @return:
+ :param hdf_file: hdf file object from which structured dataset should be loaded.
+ :param name: name of dataset
+ :param group: name of the main group
+ :returns: loaded dataset
"""
if not isinstance(name, str):
raise ValueError("Invalid name of the dataset.")
@@ -376,9 +375,9 @@ class IOmodule(object):
def _recursively_load_dict_contents_from_group(self, hdf_file=None, path=None):
"""
Loads structure dataset which has form of Python dictionary.
- @param hdf_file: hdf file object from which dataset is loaded
- @param path: path to dataset in hdf file
- @return: dictionary which was loaded from hdf file
+ :param hdf_file: hdf file object from which dataset is loaded
+ :param path: path to dataset in hdf file
+ :returns: dictionary which was loaded from hdf file
"""
ans = {}
@@ -393,11 +392,11 @@ class IOmodule(object):
def load(self, list_of_attributes=None, list_of_datasets=None):
"""
Loads all necessary data.
- @param list_of_attributes: list of attributes to load (list of strings with names of attributes)
- @param list_of_datasets: list of datasets to load. It is a list of strings with names of datasets.
+ :param list_of_attributes: list of attributes to load (list of strings with names of attributes)
+ :param list_of_datasets: list of datasets to load. It is a list of strings with names of datasets.
Datasets have a form of numpy arrays. Datasets can also have a form of Python
dictionary or list of Python dictionaries.
- @return: dictionary with both datasets and attributes
+ :returns: dictionary with both datasets and attributes
"""
@@ -424,7 +423,7 @@ class IOmodule(object):
"""
Calculates hash of a file defined by filename according to sha512 algorithm.
:param filename: name of a file to calculate hash (full path to the file)
- :return: string representation of hash
+ :returns: string representation of hash
"""
return self._calculate_hash_core(filename=filename, coding='utf-8')
@@ -432,7 +431,7 @@ class IOmodule(object):
"""
Helper function for calculating hash.
:param filename: name of a file to calculate hash
- :return: string representation of hash
+ :returns: string representation of hash
"""
hash_calculator = hashlib.sha512()
@@ -462,7 +461,7 @@ class IOmodule(object):
def calculate_dft_file_hash(self):
"""
This method calculates hash of the phonon file according to SHA-2 algorithm from hashlib library: sha512.
- @return: string representation of hash for phonon file which contains only hexadecimal digits
+ :returns: string representation of hash for phonon file which contains only hexadecimal digits
"""
return self._calculate_hash(filename=self._input_filename)
diff --git a/scripts/AbinsModules/Instruments/Instrument.py b/scripts/AbinsModules/Instruments/Instrument.py
index e9c3900497e367c53ebb0d4129cc442877603aa9..71479c03232934e9e11212584a816dc8f7cd41c3 100644
--- a/scripts/AbinsModules/Instruments/Instrument.py
+++ b/scripts/AbinsModules/Instruments/Instrument.py
@@ -14,7 +14,7 @@ class Instrument(object):
:param input_data: data from which Q2 should be calculated
- :return: numpy array with Q2 data
+ :returns: numpy array with Q2 data
"""
return None
@@ -38,7 +38,7 @@ class Instrument(object):
:param sigma: width of resolution function
:param pkt_per_peak: number of points per peak
:param gaussian: gaussian-like function used to broaden peaks
- :return: frequencies for which peaks have been broadened, corresponding S
+ :returns: frequencies for which peaks have been broadened, corresponding S
"""
fwhm = AbinsModules.AbinsParameters.fwhm
@@ -88,7 +88,7 @@ class Instrument(object):
:param sigma: sigma defines width of Gaussian
:param points: points for which Gaussian should be evaluated
:param center: center of Gaussian
- :return: numpy array with calculated Gaussian values
+ :returns: numpy array with calculated Gaussian values
"""
sigma_factor = 2.0 * sigma * sigma
norm = AbinsModules.AbinsParameters.pkt_per_peak / (2 * AbinsModules.AbinsParameters.fwhm * sigma)
diff --git a/scripts/AbinsModules/KpointsData.py b/scripts/AbinsModules/KpointsData.py
index 26ff0500d1f5ac3f8821eaf910b0e45b1ad267be..855e3a61ed05562d1a792a43366a48407fb5a2a2 100644
--- a/scripts/AbinsModules/KpointsData.py
+++ b/scripts/AbinsModules/KpointsData.py
@@ -36,7 +36,6 @@ class KpointsData(AbinsModules.GeneralData):
:param num_atoms: total number of atoms in the unit cell (int)
"""
super(KpointsData, self).__init__()
- dim = 3 # number of coordinates
if isinstance(num_k, six.integer_types) and num_k > 0:
self._num_k = num_k
@@ -44,7 +43,6 @@ class KpointsData(AbinsModules.GeneralData):
raise ValueError("Invalid number of k-points.")
if isinstance(num_atoms, six.integer_types) and num_atoms > 0:
- self._num_freq = dim * num_atoms # number of phonons for one k-point
self._num_atoms = num_atoms # number of displacements for one k-point
else:
raise ValueError("Invalid number of atoms.")
@@ -90,8 +88,9 @@ class KpointsData(AbinsModules.GeneralData):
# "frequencies"
frequencies = items["frequencies"]
+ num_freq = frequencies.shape[1]
if not (isinstance(frequencies, np.ndarray) and
- frequencies.shape == (self._num_k, self._num_freq) and
+ frequencies.shape == (self._num_k, num_freq) and
frequencies.dtype.num == AbinsModules.AbinsConstants.FLOAT_ID):
raise ValueError("Invalid value of frequencies.")
@@ -99,7 +98,7 @@ class KpointsData(AbinsModules.GeneralData):
atomic_displacements = items["atomic_displacements"]
if not (isinstance(
atomic_displacements, np.ndarray) and
- atomic_displacements.shape == (self._num_k, self._num_atoms, self._num_freq, dim) and
+ atomic_displacements.shape == (self._num_k, self._num_atoms, num_freq, dim) and
atomic_displacements.dtype.num == AbinsModules.AbinsConstants.COMPLEX_ID):
raise ValueError("Invalid value of atomic_displacements.")
@@ -129,7 +128,7 @@ class KpointsData(AbinsModules.GeneralData):
def get_gamma_point_data(self):
"""
Extracts k points data only for Gamma point.
- :return: dictionary with data only for Gamma point
+ :returns: dictionary with data only for Gamma point
"""
gamma_pkt_index = -1
diff --git a/scripts/AbinsModules/LoadCASTEP.py b/scripts/AbinsModules/LoadCASTEP.py
index 19ea68a8ae16cadb69fddcdb8bec20abd3e76ea6..53a3a7ffc216f39e2f52006e4f92bb9eaf3e5910 100644
--- a/scripts/AbinsModules/LoadCASTEP.py
+++ b/scripts/AbinsModules/LoadCASTEP.py
@@ -13,7 +13,7 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
def __init__(self, input_dft_filename):
"""
- @param input_dft_filename: name of file with phonon data (foo.phonon)
+ :param input_dft_filename: name of file with phonon data (foo.phonon)
"""
super(LoadCASTEP, self).__init__(input_dft_filename=input_dft_filename)
@@ -27,9 +27,9 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
"""
Parses the header of a block of frequencies and intensities
- @param header_match: the regex match to the header
- @param block_count: the count of blocks found so far
- @return weight for this block of values
+ :param header_match: the regex match to the header
+ :param block_count: the count of blocks found so far
+ :returns: weight for this block of values
"""
# Found header block at start of frequencies
if self._sum_rule and block_count == 0:
@@ -47,8 +47,8 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
"""
Reads information from the header of a <>.phonon file
- @param f_handle: handle to the file.
- @return List of ions in file as list of tuple of (ion, mode number)
+ :param f_handle: handle to the file.
+ :returns: List of ions in file as list of tuple of (ion, mode number)
"""
file_data = {"atoms": {}}
@@ -96,7 +96,7 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
"""
Reads frequencies block from <>.phonon file.
- @param f_handle: handle to the file.
+ :param f_handle: handle to the file.
"""
freq = []
@@ -111,8 +111,8 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
"""
Parses the unit cell vectors in a .phonon file.
- @param f_handle: Handle to the file
- @return Numpy array of unit vectors
+ :param f_handle: Handle to the file
+ :returns: Numpy array of unit vectors
"""
data = []
for _ in range(3):
@@ -126,8 +126,8 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
def _parse_phonon_eigenvectors(self, f_handle):
"""
- @param f_handle: file object to read
- @return: eigenvectors (atomic displacements) for all k-points
+ :param f_handle: file object to read
+ :returns: eigenvectors (atomic displacements) for all k-points
"""
dim = 3 # we have 3D space
@@ -153,7 +153,7 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
def _check_acoustic_sum(self):
"""
Checks if acoustic sum correction has been applied during calculations.
- @return: True is correction has been applied, otherwise False.
+ :returns: True is correction has been applied, otherwise False.
"""
header_str_sum = r"^ +q-pt=\s+\d+ +(%(s)s) +(%(s)s) +(%(s)s) +(%(s)s) + " \
r"(%(s)s) + (%(s)s) + (%(s)s)" % {'s': self._float_regex}
@@ -173,7 +173,7 @@ class LoadCASTEP(AbinsModules.GeneralDFTProgram):
from a <>.phonon file. Save frequencies, weights of k-point vectors, k-point vectors, amplitudes of atomic
displacements, hash of the phonon file (hash) to <>.hdf5
- @return object of type AbinsData.
+ :returns: object of type AbinsData.
"""
file_data = {}
diff --git a/scripts/AbinsModules/LoadCRYSTAL.py b/scripts/AbinsModules/LoadCRYSTAL.py
index 36a0b98d5f73d4f5cfb9bc2870500ce85eabfbf9..775d241fbd40363bd382fb5d01788c3e9ac9cfe3 100644
--- a/scripts/AbinsModules/LoadCRYSTAL.py
+++ b/scripts/AbinsModules/LoadCRYSTAL.py
@@ -1,10 +1,6 @@
from __future__ import (absolute_import, division, print_function)
-
import io
-from math import sqrt
-
import numpy as np
-
import AbinsModules
from mantid.kernel import Atom, logger
@@ -75,7 +71,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
def _determine_system(self):
"""
Determines whether the system is a molecule or a crystal.
- :return: True if calculation for molecule otherwise False
+ :returns: True if calculation for molecule otherwise False
"""
with io.open(self._clerk.get_input_filename(), "rb") as crystal_file:
lines = crystal_file.read()
@@ -98,7 +94,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
"""
Checks if we have data for more than one k-point. If data for more than one k-point then calculates
transformation matrix to primitive unit cell from super cell.
- :return: True if many k-points included in calculations otherwise False
+ :returns: True if many k-points included in calculations otherwise False
"""
with io.open(self._clerk.get_input_filename(), "rb") as crystal_file:
lines = crystal_file.read()
@@ -125,7 +121,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
"""
Reads lattice vectors from .out CRYSTAL file.
:param file_obj: file object from which we read
- :return: list with lattice vectors
+ :returns: list with lattice vectors
"""
self._parser.find_first(file_obj=file_obj, msg="DIRECT LATTICE VECTORS CARTESIAN COMPONENTS (ANGSTROM)")
file_obj.readline() # Line: X Y Z
@@ -142,7 +138,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
"""
Reads atomic coordinates from .out CRYSTAL file.
:param file_obj: file object from which we read
- :return: list with atomic coordinates
+ :returns: list with atomic coordinates
"""
coord_lines = []
self._parser.find_first(file_obj=file_obj,
@@ -170,7 +166,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
Reads vibrational modes (frequencies and atomic displacements).
:param phonon_dispersion: True if more then one k-point to parse, otherwise False.
:param file_obj: file object from which we read
- :return: Tuple with frequencies and corresponding atomic displacements, weights of k-points and coordinates of
+ :returns: Tuple with frequencies and corresponding atomic displacements, weights of k-points and coordinates of
k-points
"""
# case of more than one k-point
@@ -339,7 +335,7 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
"""
Checks if end of k-points block.
:param file_obj: file object from which we read
- :return: True if end of block otherwise False
+ :returns: True if end of block otherwise False
"""
allowed_keywords = [b" X ", b" Y ", b" Z ", b"-", b"REAL", b"IMAGINARY", b"MODES", b"DISPERSION"]
@@ -400,29 +396,50 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
# a) Put frequencies into dictionary
data["frequencies"] = np.asarray(freq).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE, casting="safe")
- # b) Normalise atomic displacements and put them into data dictionary
- all_kpoints = []
- for k in range(self._num_k):
- all_kpoints.append(self._create_kpoint_data(freq=freq[k], atomic_displacements=atomic_displacements[k],
- atomic_coordinates=atomic_coordinates))
+ # b) Extract atomic displacements, normalize them and put them into data dictionary
+ # Extract
+ all_k_atomic_disp = [self._create_kpoint_data(freq=freq[k],
+ atomic_displacements=atomic_displacements[k],
+ atomic_coordinates=atomic_coordinates)
+ for k in range(self._num_k)]
+
+ # normalise
+ all_k_atomic_disp = np.asarray(all_k_atomic_disp)
+ masses = np.asarray([data["atoms"]["atom_%s" % atom]["mass"] for atom in range(self._num_atoms)])
+
+ # [num_k ,num_freq, num_atoms, dim] -> [num_k, num_freq, num_atoms, dim, dim] -> [num_k, num_freq, num_atoms]
+ temp1 = np.trace(np.einsum("mlki, mlkj->mlkij", all_k_atomic_disp, all_k_atomic_disp.conjugate()),
+ axis1=3, axis2=4)
+ temp2 = np.einsum("mij, j->mij", temp1, masses)
+
+ # [num_k, num_freq, num_atoms] -> [num_k, num_freq]
+ norm = np.sum(temp2, axis=2)
+
+ # noinspection PyTypeChecker
+ all_k_atomic_disp = np.einsum("mijk,mi->mijk", all_k_atomic_disp, 1.0 / np.sqrt(norm))
+ all_k_atomic_disp = np.einsum("mijk,j->mijk", all_k_atomic_disp, np.sqrt(masses))
+
+ # [num_k, num_freq, num_atoms, dim] -> [num_k, num_atoms, num_freq, dim]
+ data["atomic_displacements"] = np.transpose(a=all_k_atomic_disp, axes=(0, 2, 1, 3))
- data["atomic_displacements"] = np.asarray(all_kpoints)
+ # c) Put weights into dictionary
data["weights"] = np.asarray(weights).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE, casting="safe")
+
+ # d) Put k-vectors into dictionary
data["k_vectors"] = np.asarray(k_coordinates).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE,
casting="safe")
-
+ # e) put unit cell into dictionary
temp = np.asarray(unit_cell).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE, casting="safe")
data["unit_cell"] = np.dot(self._inv_expansion_matrix, temp)
def _create_kpoint_data(self, freq=None, atomic_displacements=None, atomic_coordinates=None):
"""
- Normalises atomic displacements.
+ Extracts atomic displacements.
:param freq: normal modes for the given k-point
:param atomic_displacements: atomic displacements for the given k-point
- :param atomic_coordinates: atomic coordinates
+ :param atomic_coordinates: atomic coordinates (equilibrium positions)
:return normalised atomic displacements in the form of numpy array
"""
- # Normalise atomic displacements and put them into data dictionary for the given k-point
column_num = -1
freq_num = -1
row_num = 0
@@ -440,18 +457,18 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
# Parse blocks with default row width (6)
if row_num <= num_displacements / (default_row_width * num_coordinates) - 1:
- displacements.extend(self.create_kpoints_data_helper(
- atomic_displacements=atomic_displacements, atomic_coordinates=atomic_coordinates, row=row_num,
- column=column_num, freq_num=freq_num))
+ displacements.extend(self.create_kpoints_data_helper(atomic_displacements=atomic_displacements,
+ atomic_coordinates=atomic_coordinates, row=row_num,
+ column=column_num))
# At this point we have parsed all the modes that are
# part of blocks of 6 in the crystal output; now we need to
# consider the other blocks
elif num_displacements % default_row_width != 0:
current_row_width = num_displacements % default_row_width
- displacements.extend(self.create_kpoints_data_helper(
- atomic_displacements=atomic_displacements, atomic_coordinates=atomic_coordinates, row=row_num,
- column=column_num, freq_num=freq_num, row_width=current_row_width))
+ displacements.extend(self.create_kpoints_data_helper(atomic_displacements=atomic_displacements,
+ atomic_coordinates=atomic_coordinates, row=row_num,
+ column=column_num, row_width=current_row_width))
# Reshape displacements so that Abins can use it to create its internal data objects
# num_atoms: number of atoms in the system
@@ -459,65 +476,39 @@ class LoadCRYSTAL(AbinsModules.GeneralDFTProgram):
# dim: dimension for each atomic displacement (atoms vibrate in 3D space)
#
# The following conversion is necessary:
- # (num_freq * num_atom * dim) -> (num_freq, num_atom, dim) -> (num_atom, num_freq, dim)
+ # (num_freq * num_atom * dim) -> (num_freq, num_atom, dim)
num_freq = len(freq)
dim = 3
- displacements = np.asarray(a=[displacements], order="C")
- displacements = np.reshape(a=displacements, newshape=(num_freq, self._num_atoms, dim))
- displacements = np.transpose(a=displacements, axes=(1, 0, 2))
+ displacements = np.asarray(a=displacements, order="C").reshape(num_freq, self._num_atoms, dim)
return displacements
def create_kpoints_data_helper(self, atomic_displacements=None, atomic_coordinates=None, row=None, column=None,
- freq_num=None, row_width=6):
+ row_width=6):
"""
- Computes normalisation constant for displacements and builds a block of coordinates.
+ Extracts atomic displacements for the given row and column.
:param atomic_displacements: list with atomic displacements
:param atomic_coordinates: list with atomic coordinates
:param row: number of atomic_displacements row to parse
:param column: number of atomic_displacements column to parse
- :param freq_num: number of mode (frequency)
:param row_width: current width of row to parse
:return normalised atomic displacements
"""
xdisp = atomic_displacements[0]
ydisp = atomic_displacements[1]
zdisp = atomic_displacements[2]
- atom_num = -1
-
- # Compute normalisation constant for displacements
- # and build block of normalised coordinates.
- normalised_coordinates = []
- norm_const1 = 0.
- for line in atomic_coordinates:
- atom_num += 1
- l = line.split()
- indx = row * len(atomic_coordinates) * 6 + atom_num * row_width + column
- if indx <= len(xdisp) - 1:
- x, y, z = xdisp[indx], ydisp[indx], zdisp[indx]
- norm_const1 += (x * x.conjugate() + y * y.conjugate() + z * z.conjugate()).real
- normalised_coordinates += [[l[2], x, y, z]]
-
- # Normalise displacements and multiply displacements by sqrt(mass)-> xn, yn, zn
- xn = []
- yn = []
- zn = []
- norm_const1 = sqrt(norm_const1)
- norm = 0.0
-
- for item in normalised_coordinates:
- atom = Atom(symbol=str(item[0].decode("utf-8").capitalize()))
- mass = atom.mass
- x = item[1] / norm_const1 * sqrt(mass)
- y = item[2] / norm_const1 * sqrt(mass)
- z = item[3] / norm_const1 * sqrt(mass)
- xn += [x]
- yn += [y]
- zn += [z]
- norm += (x * x.conjugate() + y * y.conjugate() + z * z.conjugate()).real
-
- # Final normalization
- local_displacements = np.transpose(np.asarray([xn, yn, zn])) / sqrt(norm)
+
+ atomic_coordinates_length = len(atomic_coordinates)
+ atomic_coordinates_iter = range(atomic_coordinates_length)
+ const = row * atomic_coordinates_length * 6 + column
+
+ indices = [const + atom_num * row_width for atom_num in atomic_coordinates_iter]
+ x = [xdisp[indx] for indx in indices]
+ y = [ydisp[indx] for indx in indices]
+ z = [zdisp[indx] for indx in indices]
+
+ local_displacements = np.transpose(np.asarray([x, y, z]))
+
return local_displacements
diff --git a/scripts/AbinsModules/LoadDMOL3.py b/scripts/AbinsModules/LoadDMOL3.py
index 30aa4e86ce58b7344c2a79c311aebf18dde6d394..8170065245fbf2ce19fd303e5cfec21d548a88b1 100644
--- a/scripts/AbinsModules/LoadDMOL3.py
+++ b/scripts/AbinsModules/LoadDMOL3.py
@@ -12,7 +12,7 @@ class LoadDMOL3(AbinsModules.GeneralDFTProgram):
"""
def __init__(self, input_dft_filename):
"""
- @param input_dft_filename: name of file with phonon data (foo.outmol)
+ :param input_dft_filename: name of file with phonon data (foo.outmol)
"""
super(LoadDMOL3, self).__init__(input_dft_filename=input_dft_filename)
self._dft_program = "DMOL3"
@@ -23,7 +23,7 @@ class LoadDMOL3(AbinsModules.GeneralDFTProgram):
"""
Reads phonon data from DMOL3 output files. Saves frequencies, weights of k-point vectors, k-point vectors,
amplitudes of atomic displacements, hash of the phonon file (hash) to <>.hdf5
- :return: object of type AbinsData.
+ :returns: object of type AbinsData.
"""
data = {} # container to store read data
@@ -70,7 +70,7 @@ class LoadDMOL3(AbinsModules.GeneralDFTProgram):
def _convert_to_angstroms(self, string=None):
"""
:param string: string with number
- :return: converted coordinate of lattice vector to Angstroms
+ :returns: converted coordinate of lattice vector to Angstroms
"""
au2ang = AbinsModules.AbinsConstants.ATOMIC_LENGTH_2_ANGSTROM
return float(string) * au2ang
diff --git a/scripts/AbinsModules/LoadGAUSSIAN.py b/scripts/AbinsModules/LoadGAUSSIAN.py
new file mode 100644
index 0000000000000000000000000000000000000000..97cca379139bd7b2191097e79be48f905ba83b07
--- /dev/null
+++ b/scripts/AbinsModules/LoadGAUSSIAN.py
@@ -0,0 +1,178 @@
+from __future__ import (absolute_import, division, print_function)
+import AbinsModules
+import io
+import numpy as np
+from mantid.kernel import Atom
+
+
+class LoadGAUSSIAN(AbinsModules.GeneralDFTProgram):
+ """
+ Class for loading GAUSSIAN DFT vibrational data.
+ """
+ def __init__(self, input_dft_filename):
+ """
+ :param input_dft_filename: name of file with phonon data (foo.log)
+ """
+ super(LoadGAUSSIAN, self).__init__(input_dft_filename=input_dft_filename)
+ self._dft_program = "GAUSSIAN"
+ self._parser = AbinsModules.GeneralDFTParser()
+ self._num_atoms = None
+ self._num_read_freq = 0
+
+ def read_phonon_file(self):
+ """
+ Reads phonon data from GAUSSIAN output files. Saves frequencies and atomic displacements (only molecular
+ calculations), hash of the phonon file (hash) to <>.hdf5.
+ :returns: object of type AbinsData.
+ """
+
+ data = {} # container to store read data
+
+ with io.open(self._clerk.get_input_filename(), "rb", ) as gaussian_file:
+
+ # create dummy lattice vectors
+ self._generates_lattice_vectors(data=data)
+
+ # move file pointer to the last optimized atomic positions
+ self._parser.find_last(file_obj=gaussian_file, msg="Input orientation:")
+ self._read_atomic_coordinates(file_obj=gaussian_file, data=data)
+
+ # read frequencies, corresponding atomic displacements for a molecule
+ self._parser.find_first(file_obj=gaussian_file,
+ msg="Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering")
+ self._read_modes(file_obj=gaussian_file, data=data)
+
+ # save data to hdf file
+ self.save_dft_data(data=data)
+
+ # return AbinsData object
+ return self._rearrange_data(data=data)
+
+ def _read_atomic_coordinates(self, file_obj=None, data=None):
+ """
+ Reads atomic coordinates from .log GAUSSIAN file.
+ :param file_obj: file object from which we read
+ :param data: Python dictionary to which atoms data should be added
+ """
+ atoms = {}
+ atom_indx = 0
+ end_msgs = ["---------------------------------------------------------------------"]
+
+ header_lines = 5
+ # Input orientation:
+ # ---------------------------------------------------------------------
+ # Center Atomic Atomic Coordinates (Angstroms)
+ # Number Number Type X Y Z
+ # ---------------------------------------------------------------------
+ for i in range(header_lines):
+ file_obj.readline()
+
+ while not self._parser.block_end(file_obj=file_obj, msg=end_msgs):
+
+ line = file_obj.readline()
+ entries = line.split()
+ z_number = int(entries[1])
+ atom = Atom(z_number=z_number)
+ coord = np.asarray([float(i) for i in entries[3:6]])
+ atoms["atom_{}".format(atom_indx)] = {"symbol": atom.symbol, "mass": atom.mass, "sort": atom_indx,
+ "coord": coord}
+
+ atom_indx += 1
+ self._num_atoms = len(atoms)
+ data["atoms"] = atoms
+
+ def _generates_lattice_vectors(self, data=None):
+ """
+ Generates dummy lattice vectors. Gaussian is only for molecular calculations.
+ :param obj_file: file object from which we read
+ :param data: Python dictionary to which found lattice vectors should be added
+ """
+ data["unit_cell"] = np.zeros(shape=(3, 3), dtype=AbinsModules.AbinsConstants.FLOAT_TYPE)
+
+ def _read_modes(self, file_obj=None, data=None):
+ """
+ Reads vibrational modes (frequencies and atomic displacements).
+ :param file_obj: file object from which we read
+ :param data: Python dictionary to which k-point data should be added
+ """
+ freq = []
+ # it is a molecule so we subtract 3 translations and 3 rotations
+ num_freq = 3 * self._num_atoms - AbinsModules.AbinsConstants.ROTATIONS_AND_TRANSLATIONS
+ dim = 3
+ atomic_disp = np.zeros(shape=(num_freq, self._num_atoms, dim), dtype=AbinsModules.AbinsConstants.COMPLEX_TYPE)
+ end_msg = ["-------------------"]
+ # Next block is:
+ # -------------------
+ # - Thermochemistry -
+ # -------------------
+
+ # parse block with frequencies and atomic displacements
+ while not (self._parser.block_end(file_obj=file_obj, msg=end_msg) or self._parser.file_end(file_obj=file_obj)):
+
+ self._read_freq_block(file_obj=file_obj, freq=freq)
+ self._read_atomic_disp_block(file_obj=file_obj, disp=atomic_disp)
+
+ data["frequencies"] = np.asarray([freq]).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE, casting="safe")
+
+ # we mimic that we have one Gamma k-point
+ data["k_vectors"] = np.asarray([[0.0, 0.0, 0.0]]).astype(dtype=AbinsModules.AbinsConstants.FLOAT_TYPE,
+ casting="safe")
+ data["weights"] = np.asarray([1.0])
+
+ # Normalize displacements so that Abins can use it to create its internal data objects
+ # num_atoms: number of atoms in the system
+ # num_freq: number of modes
+ # dim: dimension for each atomic displacement (atoms vibrate in 3D space)
+ self._num_k = 1
+
+ # normalisation
+ # atomic_disp [num_freq, num_atoms, dim]
+ # masses [num_atoms]
+
+ masses = np.asarray([data["atoms"]["atom_%s" % atom]["mass"] for atom in range(self._num_atoms)])
+
+ # [num_freq, num_atoms, dim] -> [num_freq, num_atoms, dim, dim] -> [num_freq, num_atoms]
+ temp1 = np.trace(np.einsum("lki, lkj->lkij", atomic_disp, atomic_disp), axis1=2, axis2=3)
+ temp2 = np.einsum("ij, j->ij", temp1, masses)
+
+ # [num_freq, num_atoms] -> [num_freq]
+ norm = np.sum(temp2, axis=1)
+ # noinspection PyTypeChecker
+ atomic_disp = np.einsum("ijk,i->ijk", atomic_disp, 1.0 / np.sqrt(norm))
+ atomic_disp = np.einsum("ijk,j->ijk", atomic_disp, np.sqrt(masses))
+
+ # [num_freq, num_atoms, dim] -> [num_k, num_atoms, num_freq, dim]
+ data["atomic_displacements"] = np.asarray([np.transpose(a=atomic_disp, axes=(1, 0, 2))])
+
+ def _read_freq_block(self, file_obj=None, freq=None):
+ """
+ Parses block with frequencies.
+ :param file_obj: file object from which we read
+ :param freq: list with frequencies which we update
+ """
+ line = self._parser.find_first(file_obj=file_obj, msg="Frequencies --")
+ line = line.split()
+ freq.extend([float(i) for i in line[2:]])
+
+ def _read_atomic_disp_block(self, file_obj=None, disp=None):
+ """
+ Parses block with atomic displacements.
+ :param file_obj: file object from which we read
+ :param disp: list with x coordinates which we update [num_freq, num_atoms, dim]
+ """
+ sub_block_start = "Atom AN X Y Z X Y Z X Y Z"
+ self._parser.find_first(file_obj=file_obj, msg=sub_block_start)
+
+ num_atom = 0
+ line_size = len(sub_block_start.split())
+ freq_per_line = sub_block_start.count("X")
+
+ l = file_obj.readline().split()
+ while len(l) == line_size:
+ for f in range(freq_per_line):
+ disp[self._num_read_freq + f, num_atom, 0] = complex(float(l[2 + 3 * f]), 0)
+ disp[self._num_read_freq + f, num_atom, 1] = complex(float(l[3 + 3 * f]), 0)
+ disp[self._num_read_freq + f, num_atom, 2] = complex(float(l[4 + 3 * f]), 0)
+ l = file_obj.readline().split()
+ num_atom += 1
+ self._num_read_freq += freq_per_line
diff --git a/scripts/AbinsModules/SData.py b/scripts/AbinsModules/SData.py
index cf7c3b84287131b1c4e7ae7a2bc76f10e4dd89e9..7660cce9635f519aec5f38c14ff5f0aa6fdb81ff 100644
--- a/scripts/AbinsModules/SData.py
+++ b/scripts/AbinsModules/SData.py
@@ -62,7 +62,7 @@ class SData(AbinsModules.GeneralData):
def extract(self):
"""
Returns the data.
- @return: data
+ :returns: data
"""
return self._data
diff --git a/scripts/AbinsModules/SPowderSemiEmpiricalCalculator.py b/scripts/AbinsModules/SPowderSemiEmpiricalCalculator.py
index 1a30b3ef8b245f388abf83dffeab1fd8d93ccade..fd58b3bb10405589b8eeae60431d8bbc5a6c66a8 100644
--- a/scripts/AbinsModules/SPowderSemiEmpiricalCalculator.py
+++ b/scripts/AbinsModules/SPowderSemiEmpiricalCalculator.py
@@ -36,12 +36,12 @@ class SPowderSemiEmpiricalCalculator(object):
def __init__(self, filename=None, temperature=None, abins_data=None, instrument=None, quantum_order_num=None):
"""
- @param filename: name of input DFT file (CASTEP: foo.phonon)
- @param temperature: temperature in K for which calculation of S should be done
- @param sample_form: form in which experimental sample is: Powder or SingleCrystal (str)
- @param abins_data: object of type AbinsData with data from phonon file
- @param instrument: name of instrument (str)
- @param quantum_order_num: number of quantum order events taken into account during the simulation
+ :param filename: name of input DFT file (CASTEP: foo.phonon)
+ :param temperature: temperature in K for which calculation of S should be done
+ :param sample_form: form in which experimental sample is: Powder or SingleCrystal (str)
+ :param abins_data: object of type AbinsData with data from phonon file
+ :param instrument: name of instrument (str)
+ :param quantum_order_num: number of quantum order events taken into account during the simulation
"""
if not isinstance(temperature, (int, float)):
raise ValueError("Invalid value of the temperature. Number was expected.")
@@ -144,7 +144,7 @@ class SPowderSemiEmpiricalCalculator(object):
:param coeff: coefficients which correspond to freq
:param atom: number of atom
:param order: order of quantum event
- :return: large enough s, and corresponding freq, coeff and also if calculation is stable
+ :returns: large enough s, and corresponding freq, coeff and also if calculation is stable
"""
s_max = np.max(a=s)
threshold = max(s_max * self._s_current_threshold[atom], AbinsModules.AbinsParameters.s_absolute_threshold)
@@ -247,7 +247,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _calculate_s_powder_over_k(self):
"""
Helper function. It calculates S for all q points and all atoms.
- :return: dictionary with S
+ :returns: dictionary with S
"""
data = self._calculate_s_powder_over_atoms(q_indx=self._q2_indices[0])
@@ -273,7 +273,7 @@ class SPowderSemiEmpiricalCalculator(object):
"""
Calculates 1D S for the powder case.
- :return: object of type SData with 1D dynamical structure factors for the powder case
+ :returns: object of type SData with 1D dynamical structure factors for the powder case
"""
# calculate data
data = self._calculate_s_powder_over_k()
@@ -288,7 +288,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _calculate_s_powder_over_atoms(self, q_indx=None):
"""
Evaluates S for all atoms for the given q-point and checks if S is consistent.
- :return: Python dictionary with S data
+ :returns: Python dictionary with S data
"""
self._s_threshold_reset()
while True:
@@ -308,7 +308,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _calculate_s_powder_over_atoms_core(self, q_indx=None):
"""
Helper function for _calculate_s_powder_1d.
- :return: Python dictionary with S data
+ :returns: Python dictionary with S data
"""
atoms_items = {}
atoms = range(self._num_atoms)
@@ -328,7 +328,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _prepare_data(self, k_point=None):
"""
Sets all necessary fields for 1D calculations. Sorts atom indices to improve parallelism.
- :return: number of atoms, sorted atom indices
+ :returns: number of atoms, sorted atom indices
"""
# load powder data for one k
clerk = AbinsModules.IOmodule(input_filename=self._input_filename,
@@ -355,7 +355,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _report_progress(self, msg):
"""
- @param msg: message to print out
+ :param msg: message to print out
"""
# In order to avoid
#
@@ -380,8 +380,8 @@ class SPowderSemiEmpiricalCalculator(object):
def _calculate_s_powder_one_atom_core(self, atom=None):
"""
- @param atom: number of atom
- @return: s, and corresponding frequencies for all quantum events taken into account
+ :param atom: number of atom
+ :returns: s, and corresponding frequencies for all quantum events taken into account
"""
s = {}
@@ -431,7 +431,7 @@ class SPowderSemiEmpiricalCalculator(object):
:param local_freq: frequency from the previous transition
:param order: order of quantum event
:param s: dictionary with s data
- :return: 2D numpy array with fundamentals chunks, 2D array with corresponding coefficients
+ :returns: 2D numpy array with fundamentals chunks, 2D array with corresponding coefficients
"""
fund_size = self._fundamentals_freq.size
l_size = local_freq.size
@@ -514,14 +514,14 @@ class SPowderSemiEmpiricalCalculator(object):
b_tensor=None, b_trace=None):
"""
Calculates S for the first order quantum event for one atom.
- @param q2: squared values of momentum transfer vectors
- @param frequencies: frequencies for which transitions occur
- @param indices: array which stores information how transitions can be decomposed in terms of fundamentals
- @param a_tensor: total MSD tensor for the given atom
- @param a_trace: total MSD trace for the given atom
- @param b_tensor: frequency dependent MSD tensor for the given atom
- @param b_trace: frequency dependent MSD trace for the given atom
- @return: s for the first quantum order event for the given atom
+ :param q2: squared values of momentum transfer vectors
+ :param frequencies: frequencies for which transitions occur
+ :param indices: array which stores information how transitions can be decomposed in terms of fundamentals
+ :param a_tensor: total MSD tensor for the given atom
+ :param a_trace: total MSD trace for the given atom
+ :param b_tensor: frequency dependent MSD tensor for the given atom
+ :param b_trace: frequency dependent MSD trace for the given atom
+ :returns: s for the first quantum order event for the given atom
"""
trace_ba = np.einsum('kli, il->k', b_tensor, a_tensor)
coth = 1.0 / np.tanh(frequencies * AbinsModules.AbinsConstants.CM1_2_HARTREE /
@@ -537,14 +537,14 @@ class SPowderSemiEmpiricalCalculator(object):
"""
Calculates S for the second order quantum event for one atom.
- @param q2: squared values of momentum transfer vectors
- @param frequencies: frequencies for which transitions occur
- @param indices: array which stores information how transitions can be decomposed in terms of fundamentals
- @param a_tensor: total MSD tensor for the given atom
- @param a_trace: total MSD trace for the given atom
- @param b_tensor: frequency dependent MSD tensor for the given atom
- @param b_trace: frequency dependent MSD trace for the given atom
- @return: s for the second quantum order event for the given atom
+ :param q2: squared values of momentum transfer vectors
+ :param frequencies: frequencies for which transitions occur
+ :param indices: array which stores information how transitions can be decomposed in terms of fundamentals
+ :param a_tensor: total MSD tensor for the given atom
+ :param a_trace: total MSD trace for the given atom
+ :param b_tensor: frequency dependent MSD tensor for the given atom
+ :param b_trace: frequency dependent MSD trace for the given atom
+ :returns: s for the second quantum order event for the given atom
"""
coth = 1.0 / np.tanh(frequencies * AbinsModules.AbinsConstants.CM1_2_HARTREE /
(2.0 * self._temperature * AbinsModules.AbinsConstants.K_2_HARTREE))
@@ -591,14 +591,14 @@ class SPowderSemiEmpiricalCalculator(object):
b_tensor=None, b_trace=None):
"""
Calculates S for the third order quantum event for one atom.
- @param q2: squared values of momentum transfer vectors
- @param frequencies: frequencies for which transitions occur
- @param indices: array which stores information how transitions can be decomposed in terms of fundamentals
- @param a_tensor: total MSD tensor for the given atom
- @param a_trace: total MSD trace for the given atom
- @param b_tensor: frequency dependent MSD tensor for the given atom
- @param b_trace: frequency dependent MSD trace for the given atom
- @return: s for the third quantum order event for the given atom
+ :param q2: squared values of momentum transfer vectors
+ :param frequencies: frequencies for which transitions occur
+ :param indices: array which stores information how transitions can be decomposed in terms of fundamentals
+ :param a_tensor: total MSD tensor for the given atom
+ :param a_trace: total MSD trace for the given atom
+ :param b_tensor: frequency dependent MSD tensor for the given atom
+ :param b_trace: frequency dependent MSD trace for the given atom
+ :returns: s for the third quantum order event for the given atom
"""
coth = 1.0 / np.tanh(frequencies * AbinsModules.AbinsConstants.CM1_2_HARTREE /
(2.0 * self._temperature * AbinsModules.AbinsConstants.K_2_HARTREE))
@@ -612,14 +612,14 @@ class SPowderSemiEmpiricalCalculator(object):
b_tensor=None, b_trace=None):
"""
Calculates S for the fourth order quantum event for one atom.
- @param q2: q2: squared values of momentum transfer vectors
- @param frequencies: frequencies for which transitions occur
- @param indices: array which stores information how transitions can be decomposed in terms of fundamentals
- @param a_tensor: total MSD tensor for the given atom
- @param a_trace: total MSD trace for the given atom
- @param b_tensor: frequency dependent MSD tensor for the given atom
- @param b_trace: frequency dependent MSD trace for the given atom
- @return: s for the forth quantum order event for the given atom
+ :param q2: q2: squared values of momentum transfer vectors
+ :param frequencies: frequencies for which transitions occur
+ :param indices: array which stores information how transitions can be decomposed in terms of fundamentals
+ :param a_tensor: total MSD tensor for the given atom
+ :param a_trace: total MSD trace for the given atom
+ :param b_tensor: frequency dependent MSD tensor for the given atom
+ :param b_trace: frequency dependent MSD trace for the given atom
+ :returns: s for the forth quantum order event for the given atom
"""
coth = 1.0 / np.tanh(frequencies * AbinsModules.AbinsConstants.CM1_2_HARTREE /
(2.0 * self._temperature * AbinsModules.AbinsConstants.K_2_HARTREE))
@@ -633,7 +633,7 @@ class SPowderSemiEmpiricalCalculator(object):
Rebins S data so that all quantum events have the same x-axis. The size of rebined data is equal to _bins.size.
:param array_x: numpy array with frequencies
:param array_y: numpy array with S
- :return: rebined frequencies, rebined S
+ :returns: rebined frequencies, rebined S
"""
inds = np.digitize(x=array_x, bins=self._bins) - AbinsModules.AbinsConstants.PYTHON_INDEX_SHIFT
output_array_y = np.asarray(
@@ -647,7 +647,7 @@ class SPowderSemiEmpiricalCalculator(object):
Rebins S data in optimised way: the size of rebined data may be smaller then _bins.size.
:param array_x: numpy array with frequencies
:param array_y: numpy array with S
- :return: rebined frequencies, rebined S
+ :returns: rebined frequencies, rebined S
"""
if self._bins.size > array_x.size:
output_array_x = array_x
@@ -664,7 +664,7 @@ class SPowderSemiEmpiricalCalculator(object):
def _fix_empty_array(self, array_y=None):
"""
Fixes empty numpy arrays which occur in case of heavier atoms.
- :return: numpy array filled with zeros of dimension _bins.size - AbinsConstants.FIRST_BIN_INDEX
+ :returns: numpy array filled with zeros of dimension _bins.size - AbinsConstants.FIRST_BIN_INDEX
"""
if array_y is None:
# number of frequencies = self._bins.size - AbinsConstants.FIRST_BIN_INDEX
@@ -682,7 +682,7 @@ class SPowderSemiEmpiricalCalculator(object):
def calculate_data(self):
"""
Calculates dynamical structure factor S.
- @return: object of type SData and dictionary with total S.
+ :returns: object of type SData and dictionary with total S.
"""
data = self._calculate_s()
@@ -696,7 +696,7 @@ class SPowderSemiEmpiricalCalculator(object):
def load_formatted_data(self):
"""
Loads S from an hdf file.
- @return: object of type SData.
+ :returns: object of type SData.
"""
data = self._clerk.load(list_of_datasets=["data"], list_of_attributes=["filename", "order_of_quantum_events"])
if self._quantum_order_num > data["attributes"]["order_of_quantum_events"]:
@@ -732,7 +732,7 @@ class SPowderSemiEmpiricalCalculator(object):
def get_formatted_data(self):
"""
Method to obtain data
- @return: obtained data
+ :returns: obtained data
"""
try:
diff --git a/scripts/AbinsModules/__init__.py b/scripts/AbinsModules/__init__.py
index 1255abf67e3b69d068d62385392de51a9af17ed4..f515aa9c53fbc7d3aedab16bd80f470654d563e6 100644
--- a/scripts/AbinsModules/__init__.py
+++ b/scripts/AbinsModules/__init__.py
@@ -23,13 +23,14 @@ from .GeneralDFTProgram import GeneralDFTProgram
from .LoadCASTEP import LoadCASTEP
from .LoadCRYSTAL import LoadCRYSTAL
from .LoadDMOL3 import LoadDMOL3
+from .LoadGAUSSIAN import LoadGAUSSIAN
from .GeneralDFTParser import GeneralDFTParser
# Calculating modules
from .CalculatePowder import CalculatePowder
from .CalculateSingleCrystal import CalculateSingleCrystal
from .CalculateDWSingleCrystal import CalculateDWSingleCrystal
-from .CalculateS import CalculateS
+from .CalculateS import CalculateS
from .SPowderSemiEmpiricalCalculator import SPowderSemiEmpiricalCalculator
# Data
diff --git a/scripts/CMakeLists.txt b/scripts/CMakeLists.txt
index 5223e895b151e59d8b349d9dfac514b3706a1f0f..35e284ac46681393c05967995da7979071ef26f0 100644
--- a/scripts/CMakeLists.txt
+++ b/scripts/CMakeLists.txt
@@ -5,6 +5,7 @@ add_subdirectory(HFIRPowderReduction)
add_subdirectory(Interface/ui)
add_subdirectory(TofConverter)
add_subdirectory(HFIR_4Circle_Reduction)
+add_subdirectory(Muon)
# Chain all required interface custom targets into CompilePyUI
add_custom_target(CompilePyUI DEPENDS
@@ -13,6 +14,7 @@ add_custom_target(CompilePyUI DEPENDS
CompileUITofConverter
CompileUIUI
CompileUIHFIR_4Circle_Reduction
+ CompileUIFrequency_Domain_Analysis
)
# Put them into the 'CompileUI' folder or group in VS and the like, for convenience
@@ -22,6 +24,7 @@ set_property ( TARGET CompileUIHFIRPowderReduction PROPERTY FOLDER "CompilePyUI"
set_property ( TARGET CompileUITofConverter PROPERTY FOLDER "CompilePyUI" )
set_property ( TARGET CompileUIUI PROPERTY FOLDER "CompilePyUI" )
set_property ( TARGET CompileUIHFIR_4Circle_Reduction PROPERTY FOLDER "CompilePyUI" )
+set_property ( TARGET CompileUIFrequency_Domain_Analysis PROPERTY FOLDER "CompilePyUI" )
set ( TEST_PY_FILES
test/AbinsAtomsDataTest.py
@@ -37,6 +40,7 @@ set ( TEST_PY_FILES
test/AbinsLoadCASTEPTest.py
test/AbinsLoadCRYSTALTest.py
test/AbinsLoadDMOL3Test.py
+ test/AbinsLoadGAUSSIANTest.py
test/AbinsPowderDataTest.py
test/ConvertToWavelengthTest.py
test/CrystalFieldTest.py
@@ -74,6 +78,7 @@ set ( TEST_PY_FILES
# Addition tests for SANS components
add_subdirectory(test/SANS)
+add_subdirectory(test/Muon)
# python unit tests
if (PYUNITTEST_FOUND)
diff --git a/scripts/Diffraction/isis_powder/__init__.py b/scripts/Diffraction/isis_powder/__init__.py
index 4b03af1a87c11109b7dfce786e24b2d793cf9658..dd21b7db222d59a6c5c07444c019be57732350d9 100644
--- a/scripts/Diffraction/isis_powder/__init__.py
+++ b/scripts/Diffraction/isis_powder/__init__.py
@@ -3,6 +3,7 @@ from __future__ import (absolute_import, division, print_function)
# Disable unused import warnings. The import is for user convenience
# Bring instruments into package namespace
from .gem import Gem # noqa: F401
+from .hrpd import HRPD # noqa: F401
from .pearl import Pearl # noqa: F401
from .polaris import Polaris # noqa: F401
diff --git a/scripts/Diffraction/isis_powder/abstract_inst.py b/scripts/Diffraction/isis_powder/abstract_inst.py
index f8d390702aa81f8fa693a213a1da105c07d24377..a068ffb16c64f3b72b42df42bcdf464543ef6eba 100644
--- a/scripts/Diffraction/isis_powder/abstract_inst.py
+++ b/scripts/Diffraction/isis_powder/abstract_inst.py
@@ -70,14 +70,13 @@ class AbstractInst(object):
"""
raise NotImplementedError("get_run_details must be implemented per instrument")
- @staticmethod
- def _generate_input_file_name(run_number):
+ def _generate_input_file_name(self, run_number):
"""
Generates a name which Mantid uses within Load to find the file.
:param run_number: The run number to convert into a valid format for Mantid
:return: A filename that will allow Mantid to find the correct run for that instrument.
"""
- raise NotImplementedError("generate_input_file_name must be implemented per instrument")
+ return self._generate_inst_filename(run_number=run_number)
def _apply_absorb_corrections(self, run_details, ws_to_correct):
"""
@@ -95,7 +94,7 @@ class AbstractInst(object):
:param run_number_string: The run string to uniquely identify the run
:return: The file name which identifies the run and appropriate parameter settings
"""
- raise NotImplementedError("generate_output_file_name must be implemented per instrument")
+ return self._generate_input_file_name(run_number=run_number_string)
def _spline_vanadium_ws(self, focused_vanadium_banks):
"""
@@ -230,3 +229,11 @@ class AbstractInst(object):
"output_folder": output_directory}
return out_file_names
+
+ def _generate_inst_filename(self, run_number):
+ if isinstance(run_number, list):
+ # Multiple entries
+ return [self._generate_inst_filename(run) for run in run_number]
+ else:
+ # Individual entry
+ return self._inst_prefix + str(run_number)
diff --git a/scripts/Diffraction/isis_powder/gem.py b/scripts/Diffraction/isis_powder/gem.py
index e798877b73701cf05a9e91a6ec21d017bbf51c57..c1d00a1dfc1259e4bb13528cd7d4f99a55d89f58 100644
--- a/scripts/Diffraction/isis_powder/gem.py
+++ b/scripts/Diffraction/isis_powder/gem.py
@@ -62,7 +62,8 @@ class Gem(AbstractInst):
def _apply_absorb_corrections(self, run_details, ws_to_correct):
if self._is_vanadium:
return gem_algs.calculate_van_absorb_corrections(
- ws_to_correct=ws_to_correct, multiple_scattering=self._inst_settings.multiple_scattering)
+ ws_to_correct=ws_to_correct, multiple_scattering=self._inst_settings.multiple_scattering,
+ is_vanadium=self._is_vanadium)
else:
return absorb_corrections.run_cylinder_absorb_corrections(
ws_to_correct=ws_to_correct, multiple_scattering=self._inst_settings.multiple_scattering,
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
index fcba0656630e1e0e0b697fbc4e067bbe262a4685..56f5b5c31c8b5384b26c15c9b5ca24d4a1dd701c 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
@@ -8,7 +8,7 @@ from isis_powder.routines.run_details import create_run_details_object, \
from isis_powder.gem_routines import gem_advanced_config
-def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering):
+def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering, is_vanadium):
# First 100 detectors are monitors or not connected to DAE
mantid.MaskDetectors(ws_to_correct, SpectraList=range(1, 101))
diff --git a/scripts/Diffraction/isis_powder/hrpd.py b/scripts/Diffraction/isis_powder/hrpd.py
new file mode 100644
index 0000000000000000000000000000000000000000..24283728bc99bc3c62300c77126086e29ee5322b
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd.py
@@ -0,0 +1,96 @@
+from __future__ import (absolute_import, division, print_function)
+
+from isis_powder.abstract_inst import AbstractInst
+from isis_powder.routines import absorb_corrections, common, instrument_settings
+from isis_powder.hrpd_routines import hrpd_advanced_config, hrpd_algs, hrpd_param_mapping
+
+
+class HRPD(AbstractInst):
+
+ def __init__(self, **kwargs):
+ self._inst_settings = instrument_settings.InstrumentSettings(
+ param_map=hrpd_param_mapping.attr_mapping, kwargs=kwargs,
+ adv_conf_dict=hrpd_advanced_config.get_all_adv_variables())
+
+ super(HRPD, self).__init__(user_name=self._inst_settings.user_name,
+ calibration_dir=self._inst_settings.calibration_dir,
+ output_dir=self._inst_settings.output_dir,
+ inst_prefix="HRPD")
+
+ # Cannot load older .nxs files into Mantid from HRPD
+ # because of a long-term bug which was not reported.
+ # Instead, ask Mantid to use .raw files in this case
+ if not self._inst_settings.file_extension:
+ self._inst_settings.file_extension = ".raw"
+
+ self._cached_run_details = {}
+ self._sample_details = None
+
+ def focus(self, **kwargs):
+ self._switch_tof_window_inst_settings(kwargs.get("window"))
+ self._inst_settings.update_attributes(kwargs=kwargs)
+ return self._focus(
+ run_number_string=self._inst_settings.run_number, do_van_normalisation=self._inst_settings.do_van_norm,
+ do_absorb_corrections=self._inst_settings.do_absorb_corrections)
+
+ def create_vanadium(self, **kwargs):
+ self._switch_tof_window_inst_settings(kwargs.get("window"))
+ self._inst_settings.update_attributes(kwargs=kwargs)
+
+ return self._create_vanadium(run_number_string=self._inst_settings.run_in_range,
+ do_absorb_corrections=self._inst_settings.do_absorb_corrections)
+
+ def set_sample_details(self, **kwargs):
+ kwarg_name = "sample"
+ sample_details_obj = common.dictionary_key_helper(
+ dictionary=kwargs, key=kwarg_name,
+ exception_msg="The argument containing sample details was not found. Please"
+ " set the following argument: {}".format(kwarg_name))
+ self._sample_details = sample_details_obj
+
+ def _apply_absorb_corrections(self, run_details, ws_to_correct):
+ if self._is_vanadium:
+ return hrpd_algs.calculate_van_absorb_corrections(
+ ws_to_correct=ws_to_correct, multiple_scattering=self._inst_settings.multiple_scattering)
+ elif self._sample_details is None:
+ raise RuntimeError("Absorption corrections cannot be run without sample details."
+ " Please set sample details using set_sample before running absorption corrections.")
+ elif self._sample_details.shape_type() == "slab":
+ return hrpd_algs.calculate_slab_absorb_corrections(ws_to_correct=ws_to_correct,
+ sample_details_obj=self._sample_details)
+ else:
+ return absorb_corrections.run_cylinder_absorb_corrections(
+ ws_to_correct=ws_to_correct, multiple_scattering=self._inst_settings.multiple_scattering,
+ sample_details_obj=self._sample_details, is_vanadium=self._is_vanadium)
+
+ def _crop_banks_to_user_tof(self, focused_banks):
+ return common.crop_banks_using_crop_list(focused_banks, self._inst_settings.tof_cropping_values)
+
+ def _crop_van_to_expected_tof_range(self, van_ws_to_crop):
+ return common.crop_in_tof(ws_to_crop=van_ws_to_crop, x_min=self._inst_settings.van_tof_cropping[0],
+ x_max=self._inst_settings.van_tof_cropping[-1])
+
+ def _get_instrument_bin_widths(self):
+ return self._inst_settings.focused_bin_widths
+
+ def _get_run_details(self, run_number_string):
+ run_number_string_key = self._generate_run_details_fingerprint(run_number_string,
+ self._inst_settings.file_extension)
+
+ if run_number_string_key in self._cached_run_details:
+ return self._cached_run_details[run_number_string_key]
+
+ self._cached_run_details[run_number_string_key] = hrpd_algs.get_run_details(
+ run_number_string=run_number_string, inst_settings=self._inst_settings, is_vanadium=self._is_vanadium)
+
+ return self._cached_run_details[run_number_string_key]
+
+ def _spline_vanadium_ws(self, focused_vanadium_banks, instrument_version=''):
+ spline_coeff = self._inst_settings.spline_coeff
+ output = hrpd_algs.process_vanadium_for_focusing(bank_spectra=focused_vanadium_banks,
+ spline_number=spline_coeff)
+ return output
+
+ def _switch_tof_window_inst_settings(self, tof_window):
+ self._inst_settings.update_attributes(
+ advanced_config=hrpd_advanced_config.get_tof_window_dict(tof_window=tof_window))
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/__init__.py b/scripts/Diffraction/isis_powder/hrpd_routines/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_advanced_config.py b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_advanced_config.py
new file mode 100644
index 0000000000000000000000000000000000000000..28ef6070d26a3ddbd5d73c8d4970a314c76931a0
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_advanced_config.py
@@ -0,0 +1,71 @@
+from __future__ import (absolute_import, division, print_function)
+
+from isis_powder.hrpd_routines.hrpd_enums import HRPD_TOF_WINDOWS
+
+absorption_correction_params = {
+ "cylinder_sample_height": 2.0,
+ "cylinder_sample_radius": 0.3,
+ "cylinder_position": [0., 0., 0.],
+ "chemical_formula": "V"
+}
+
+# Default cropping values are 5% off each end
+
+window_10_110_params = {
+ "vanadium_tof_cropping": (1e4, 1.2e5),
+ "focused_cropping_values": [
+ (1.5e4, 1.08e5), # Bank 1
+ (1.5e4, 1.12e5), # Bank 2
+ (1.5e4, 1e5) # Bank 3
+ ]
+}
+
+window_30_130_params = {
+ "vanadium_tof_cropping": (3e4, 1.4e5),
+ "focused_cropping_values": [
+ (3.5e4, 1.3e5), # Bank 1
+ (3.4e4, 1.4e5), # Bank 2
+ (3.3e4, 1.3e5) # Bank 3
+ ]
+}
+
+window_100_200_params = {
+ "vanadium_tof_cropping": (1e5, 2.15e5),
+ "focused_cropping_values": [
+ (1e5, 2e5), # Bank 1
+ (8.7e4, 2.1e5), # Bank 2
+ (9.9e4, 2.1e5) # Bank 3
+ ]
+}
+
+file_names = {
+ "grouping_file_name": "hrpd_new_072_01_corr.cal"
+}
+
+general_params = {
+ "spline_coefficient": 70,
+ "focused_bin_widths": [
+ -0.0005, # Bank 1
+ -0.0005, # Bank 2
+ -0.001 # Bank 3
+ ],
+ "mode": "coupled"
+}
+
+
+def get_all_adv_variables(tof_window=HRPD_TOF_WINDOWS.window_10_110):
+ advanced_config_dict = {}
+ advanced_config_dict.update(file_names)
+ advanced_config_dict.update(general_params)
+ advanced_config_dict.update(get_tof_window_dict(tof_window=tof_window))
+ return advanced_config_dict
+
+
+def get_tof_window_dict(tof_window):
+ if tof_window == HRPD_TOF_WINDOWS.window_10_110:
+ return window_10_110_params
+ if tof_window == HRPD_TOF_WINDOWS.window_30_130:
+ return window_30_130_params
+ if tof_window == HRPD_TOF_WINDOWS.window_100_200:
+ return window_100_200_params
+ raise RuntimeError("Invalid time-of-flight window: {}".format(tof_window))
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py
new file mode 100644
index 0000000000000000000000000000000000000000..d1fcda6b683030ab32bd421aae5a2b48f74911f8
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py
@@ -0,0 +1,143 @@
+from __future__ import (absolute_import, division, print_function)
+
+import mantid.simpleapi as mantid
+
+from isis_powder.hrpd_routines import hrpd_advanced_config
+from isis_powder.routines import common, absorb_corrections, sample_details, common_enums
+from isis_powder.routines.run_details import create_run_details_object, \
+ RunDetailsWrappedCommonFuncs, CustomFuncForRunDetails
+
+
+def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering):
+ absorb_dict = hrpd_advanced_config.absorption_correction_params
+ sample_details_obj = absorb_corrections.create_vanadium_sample_details_obj(config_dict=absorb_dict)
+ ws_to_correct = absorb_corrections.run_cylinder_absorb_corrections(
+ ws_to_correct=ws_to_correct, multiple_scattering=multiple_scattering, sample_details_obj=sample_details_obj,
+ is_vanadium=True)
+ return ws_to_correct
+
+
+def calculate_slab_absorb_corrections(ws_to_correct, sample_details_obj):
+ """
+ Sets a slab sample from the user specified dictionary and performs HRPDSlabCanAbsorption on the workspace.
+ The SampleDetails object defines the sample, material and associated properties.
+ :param ws_to_correct: The workspace to do corrections on
+ :param sample_details_obj: The object containing the sample details
+ :return: The corrected workspace
+ """
+
+ if not isinstance(sample_details_obj, sample_details.SampleDetails):
+ raise RuntimeError("A SampleDetails object was not set or a different object type was found when sample"
+ " absorption corrections were requested. If you want sample absorption corrections please "
+ "create a SampleDetails object and set the relevant properties it. "
+ "Then set the new sample by calling set_sample_details().")
+ if not sample_details_obj.is_material_set():
+ raise RuntimeError("The material for this sample has not been set yet. Please call"
+ " set_material on the SampleDetails object to set the material")
+
+ geometry_json = {"Shape": "FlatPlate", "Thick": sample_details_obj.thickness(), "Width": sample_details_obj.width(),
+ "Height": sample_details_obj.height(), "Center": sample_details_obj.center(),
+ "Angle": sample_details_obj.angle()}
+ material = sample_details_obj.material_object
+ # See SetSampleMaterial for documentation on this dictionary
+ material_json = {"ChemicalFormula": material.chemical_formula}
+ if material.number_density:
+ material_json["SampleNumberDensity"] = material.number_density
+ if material.absorption_cross_section:
+ material_json["AttenuationXSection"] = material.absorption_cross_section
+ if material.scattering_cross_section:
+ material_json["ScatteringXSection"] = material.scattering_cross_section
+
+ mantid.SetSample(InputWorkspace=ws_to_correct, Geometry=geometry_json, Material=material_json)
+
+ previous_units = ws_to_correct.getAxis(0).getUnit().unitID()
+ ws_units = common_enums.WORKSPACE_UNITS
+
+ # HRPDSlabCanAbsorption must be completed in units of wavelength - convert if needed, than convert back afterwards
+ if previous_units != ws_units.wavelength:
+ ws_to_correct = mantid.ConvertUnits(InputWorkspace=ws_to_correct, OutputWorkspace=ws_to_correct,
+ Target=ws_units.wavelength)
+
+ absorb_factors = mantid.HRPDSlabCanAbsorption(InputWorkspace=ws_to_correct)
+ ws_to_correct = mantid.Divide(LHSWorkspace=ws_to_correct, RHSWorkspace=absorb_factors,
+ OutputWorkspace=ws_to_correct)
+ mantid.DeleteWorkspace(Workspace=absorb_factors)
+
+ if previous_units != ws_units.wavelength:
+ ws_to_correct = mantid.ConvertUnits(InputWorkspace=ws_to_correct, OutputWorkspace=ws_to_correct,
+ Target=previous_units)
+
+ return ws_to_correct
+
+
+def get_run_details(run_number_string, inst_settings, is_vanadium):
+ cal_mapping_callable = CustomFuncForRunDetails().add_to_func_chain(
+ user_function=RunDetailsWrappedCommonFuncs.get_cal_mapping_dict,
+ run_number_string=run_number_string, inst_settings=inst_settings)
+
+ mapping_dict_callable = cal_mapping_callable.add_to_func_chain(user_function=hrpd_get_inst_mode,
+ inst_settings=inst_settings)
+
+ tof_dict_callable = mapping_dict_callable.add_to_func_chain(user_function=hrpd_get_tof_window,
+ inst_settings=inst_settings)
+
+ err_message = "this must be under 'coupled' or 'decoupled' and the time of flight window eg 10-110."
+ empty_run_callable = tof_dict_callable.add_to_func_chain(
+ user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="empty_run_numbers",
+ append_to_error_message=err_message)
+
+ vanadium_run_callable = tof_dict_callable.add_to_func_chain(
+ user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="vanadium_run_numbers",
+ append_to_error_message=err_message)
+
+ return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
+ is_vanadium_run=is_vanadium, empty_run_call=empty_run_callable,
+ vanadium_run_call=vanadium_run_callable)
+
+
+def hrpd_get_inst_mode(forwarded_value, inst_settings):
+ cal_mapping = forwarded_value
+ return common.cal_map_dictionary_key_helper(dictionary=cal_mapping, key=inst_settings.mode)
+
+
+def hrpd_get_tof_window(forwarded_value, inst_settings):
+ cal_mapping = forwarded_value
+ return common.cal_map_dictionary_key_helper(dictionary=cal_mapping, key=inst_settings.tof_window)
+
+
+def process_vanadium_for_focusing(bank_spectra, spline_number):
+ output = common.spline_workspaces(num_splines=spline_number, focused_vanadium_spectra=bank_spectra)
+ return output
+
+
+# The following 2 functions may be moved to common
+def _apply_bragg_peaks_masking(workspaces_to_mask, mask_list):
+ output_workspaces = list(workspaces_to_mask)
+
+ for ws_index, (bank_mask_list, workspace) in enumerate(zip(mask_list, output_workspaces)):
+ output_name = "masked_vanadium-" + str(ws_index + 1)
+ for mask_params in bank_mask_list:
+ output_workspaces[ws_index] = mantid.MaskBins(InputWorkspace=output_workspaces[ws_index],
+ OutputWorkspace=output_name,
+ XMin=mask_params[0], XMax=mask_params[1])
+ return output_workspaces
+
+
+def _read_masking_file(masking_file_path):
+ all_banks_masking_list = []
+ bank_masking_list = []
+ ignore_line_prefixes = (' ', '\n', '\t', '#') # Matches whitespace or # symbol
+ with open(masking_file_path) as mask_file:
+ for line in mask_file:
+ if line.startswith(ignore_line_prefixes):
+ # Push back onto new bank
+ if bank_masking_list:
+ all_banks_masking_list.append(bank_masking_list)
+ bank_masking_list = []
+ else:
+ # Parse and store in current list
+ line.rstrip()
+ bank_masking_list.append(line.split())
+ if bank_masking_list:
+ all_banks_masking_list.append(bank_masking_list)
+ return all_banks_masking_list
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_enums.py b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_enums.py
new file mode 100644
index 0000000000000000000000000000000000000000..57583772ac082c443c1604512e5836837f22b7e9
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_enums.py
@@ -0,0 +1,14 @@
+from __future__ import (absolute_import, division, print_function)
+
+
+class HRPD_TOF_WINDOWS(object):
+ enum_friendly_name = "TOF windows"
+ window_10_110 = "10-110"
+ window_30_130 = "30-130"
+ window_100_200 = "100-200"
+
+
+class HRPD_MODES(object):
+ enum_friendly_name = "Grouping mode"
+ coupled = "coupled"
+ decoupled = "decoupled"
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_param_mapping.py b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_param_mapping.py
new file mode 100644
index 0000000000000000000000000000000000000000..e1c9e8ad32b9a49e11d83801b676d5bcec9c58d7
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_param_mapping.py
@@ -0,0 +1,27 @@
+from __future__ import (absolute_import, division, print_function)
+
+from isis_powder.hrpd_routines.hrpd_enums import HRPD_MODES, HRPD_TOF_WINDOWS
+from isis_powder.routines.param_map_entry import ParamMapEntry
+
+attr_mapping = \
+ [
+ ParamMapEntry(ext_name="calibration_directory", int_name="calibration_dir"),
+ ParamMapEntry(ext_name="calibration_mapping_file", int_name="cal_mapping_path"),
+ ParamMapEntry(ext_name="do_absorb_corrections", int_name="do_absorb_corrections"),
+ ParamMapEntry(ext_name="file_ext", int_name="file_extension", optional=True),
+ ParamMapEntry(ext_name="focused_bin_widths", int_name="focused_bin_widths"),
+ ParamMapEntry(ext_name="focused_cropping_values", int_name="tof_cropping_values"),
+ ParamMapEntry(ext_name="grouping_file_name", int_name="grouping_file_name"),
+ ParamMapEntry(ext_name="output_directory", int_name="output_dir"),
+ ParamMapEntry(ext_name="spline_coefficient", int_name="spline_coeff"),
+ ParamMapEntry(ext_name="first_cycle_run_no", int_name="run_in_range"),
+ ParamMapEntry(ext_name="mode", int_name="mode", enum_class=HRPD_MODES),
+ ParamMapEntry(ext_name="multiple_scattering", int_name="multiple_scattering"),
+ ParamMapEntry(ext_name="run_number", int_name="run_number"),
+ ParamMapEntry(ext_name="sample_empty", int_name="sample_empty", optional=True),
+ ParamMapEntry(ext_name="sample_empty_scale", int_name="sample_empty_scale"),
+ ParamMapEntry(ext_name="user_name", int_name="user_name"),
+ ParamMapEntry(ext_name="vanadium_normalisation", int_name="do_van_norm"),
+ ParamMapEntry(ext_name="vanadium_tof_cropping", int_name="van_tof_cropping"),
+ ParamMapEntry(ext_name="window", int_name="tof_window", enum_class=HRPD_TOF_WINDOWS)
+ ]
diff --git a/scripts/Diffraction/isis_powder/pearl.py b/scripts/Diffraction/isis_powder/pearl.py
index 0db5123de79c6add279f7366993f07aae1a0a1dd..b677f99b10339e40d5ac5ffc0ae05ddfb1047584 100644
--- a/scripts/Diffraction/isis_powder/pearl.py
+++ b/scripts/Diffraction/isis_powder/pearl.py
@@ -59,10 +59,6 @@ class Pearl(AbstractInst):
# Params #
- @staticmethod
- def _generate_input_file_name(run_number):
- return _generate_inst_padding(run_number=run_number)
-
def _generate_output_file_name(self, run_number_string):
inst = self._inst_settings
return pearl_algs.generate_out_name(run_number_string=run_number_string,
@@ -145,16 +141,3 @@ class Pearl(AbstractInst):
def _switch_long_mode_inst_settings(self, long_mode_on):
self._inst_settings.update_attributes(advanced_config=pearl_advanced_config.get_long_mode_dict(long_mode_on),
suppress_warnings=True)
-
-
-def _generate_inst_padding(run_number):
- digit = len(str(run_number))
-
- number_of_digits = 8
- filename = "PEARL"
-
- for i in range(0, number_of_digits - digit):
- filename += "0"
-
- filename += str(run_number)
- return filename
diff --git a/scripts/Diffraction/isis_powder/polaris.py b/scripts/Diffraction/isis_powder/polaris.py
index c2e44836c954898796e9d778f1a170bd2032b953..995443610bcf6d83e88610ff77a5525cfd70af53 100644
--- a/scripts/Diffraction/isis_powder/polaris.py
+++ b/scripts/Diffraction/isis_powder/polaris.py
@@ -90,9 +90,6 @@ class Polaris(AbstractInst):
prefix = polaris_new_name if use_new_name else polaris_old_name
return prefix + str(run_number)
- def _generate_output_file_name(self, run_number_string):
- return self._generate_input_file_name(run_number=run_number_string)
-
def _get_input_batching_mode(self):
return self._inst_settings.input_mode
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_param_mapping.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_param_mapping.py
index 8bafc9756e75a42560bfc6bf59090efa6ccb3baa..3ff98f3754a2403a5022a4a925c0572dc209acee 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_param_mapping.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_param_mapping.py
@@ -9,7 +9,6 @@ attr_mapping = \
[
ParamMapEntry(ext_name="calibration_directory", int_name="calibration_dir"),
ParamMapEntry(ext_name="calibration_mapping_file", int_name="cal_mapping_path"),
-
ParamMapEntry(ext_name="config_file", int_name="config_file"),
ParamMapEntry(ext_name="do_absorb_corrections", int_name="do_absorb_corrections"),
ParamMapEntry(ext_name="do_van_normalisation", int_name="do_van_normalisation"),
diff --git a/scripts/Diffraction/isis_powder/routines/absorb_corrections.py b/scripts/Diffraction/isis_powder/routines/absorb_corrections.py
index afa3eecac5d46e4fbfcc13961a854d50586f6901..47407321d6c54bafb8cde4cd89b6c965bf3955b2 100644
--- a/scripts/Diffraction/isis_powder/routines/absorb_corrections.py
+++ b/scripts/Diffraction/isis_powder/routines/absorb_corrections.py
@@ -26,7 +26,7 @@ def create_vanadium_sample_details_obj(config_dict):
formula = common.dictionary_key_helper(dictionary=config_dict, key=formula_key, exception_msg=e_msg + formula_key)
number_density = common.dictionary_key_helper(dictionary=config_dict, key=number_density_key, throws=False)
- vanadium_sample_details = sample_details.SampleDetails(height=height, radius=radius, center=pos)
+ vanadium_sample_details = sample_details.SampleDetails(height=height, radius=radius, center=pos, shape="cylinder")
vanadium_sample_details.set_material(chemical_formula=formula, number_density=number_density)
return vanadium_sample_details
@@ -86,8 +86,8 @@ def _calculate__cylinder_absorb_corrections(ws_to_correct, multiple_scattering,
def _setup_sample_for_cylinder_absorb_corrections(ws_to_correct, sample_details_obj):
geometry_json = {'Shape': 'Cylinder',
- 'Height': sample_details_obj.height, 'Radius': sample_details_obj.radius,
- 'Center': sample_details_obj.center}
+ 'Height': sample_details_obj.height(), 'Radius': sample_details_obj.radius(),
+ 'Center': sample_details_obj.center()}
material = sample_details_obj.material_object
# See SetSampleMaterial for documentation on this dictionary
material_json = {'ChemicalFormula': material.chemical_formula}
diff --git a/scripts/Diffraction/isis_powder/routines/calibrate.py b/scripts/Diffraction/isis_powder/routines/calibrate.py
index cb5700733a1cc9e81b71ee46505ec773a369d6f1..c60ad306e308b7ae5e8d919eb4d98430a202e74a 100644
--- a/scripts/Diffraction/isis_powder/routines/calibrate.py
+++ b/scripts/Diffraction/isis_powder/routines/calibrate.py
@@ -28,11 +28,12 @@ def create_van(instrument, run_details, absorb):
# Crop the tail end of the data on PEARL if they are not capturing slow neutrons
corrected_van_ws = instrument._crop_raw_to_expected_tof_range(ws_to_crop=corrected_van_ws)
- aligned_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
- CalibrationFile=run_details.offset_file_path)
if absorb:
- aligned_ws = instrument._apply_absorb_corrections(run_details=run_details, ws_to_correct=aligned_ws)
+ corrected_van_ws = instrument._apply_absorb_corrections(run_details=run_details,
+ ws_to_correct=corrected_van_ws)
+ aligned_ws = mantid.AlignDetectors(InputWorkspace=corrected_van_ws,
+ CalibrationFile=run_details.offset_file_path)
focused_vanadium = mantid.DiffractionFocussing(InputWorkspace=aligned_ws,
GroupingFileName=run_details.grouping_file_path)
diff --git a/scripts/Diffraction/isis_powder/routines/sample_details.py b/scripts/Diffraction/isis_powder/routines/sample_details.py
index 648c9d6c062b60c8a11d29e7652869232bc11d35..596b51fdabda55edb756af9daf6aa4d6f358b7e2 100644
--- a/scripts/Diffraction/isis_powder/routines/sample_details.py
+++ b/scripts/Diffraction/isis_powder/routines/sample_details.py
@@ -3,22 +3,32 @@ from __future__ import (absolute_import, division, print_function)
from six import iteritems
from isis_powder.routines import common
import math
+from mantid import logger
+
+property_err_string = "The following sample property was not passed as an argument: {}"
class SampleDetails(object):
def __init__(self, **kwargs):
- # By using kwargs we get a better error that, init takes 4 arguments
- err_string = "A following sample property was not passed as an argument: "
- height = common.dictionary_key_helper(dictionary=kwargs, key="height", exception_msg=err_string + "height")
- radius = common.dictionary_key_helper(dictionary=kwargs, key="radius", exception_msg=err_string + "radius")
- center = common.dictionary_key_helper(dictionary=kwargs, key="center", exception_msg=err_string + "center")
-
- # Currently we only support cylinders
- self.shape_type = "cylinder"
- SampleDetails._validate_sample_details_constructor_inputs(height=height, radius=radius, center=center)
- self.height = float(height)
- self.radius = float(radius)
- self.center = [float(i) for i in center] # List of X, Y, Z position
+ self._shape_type = common.dictionary_key_helper(dictionary=kwargs, key="shape", throws=False)
+ if self._shape_type is None:
+ self._shape_type = "cylinder"
+ warning = "Failed to supply parameter \"shape\" to SampleDetails - defaulting to \"cylinder\""
+ print("WARNING: {}".format(warning)) # Show warning in script window
+ logger.warning(warning) # Show warning in Mantid logging area
+
+ center = common.dictionary_key_helper(dictionary=kwargs, key="center",
+ exception_msg=property_err_string.format("center"))
+ SampleDetails._validate_center(center)
+ self._center = [float(i) for i in center] # List of X, Y, Z position
+
+ if self._shape_type == "cylinder":
+ self._shape = _Cylinder(kwargs)
+ elif self._shape_type == "slab":
+ self._shape = _Slab(kwargs)
+ else:
+ raise KeyError("Shape type \"" + self._shape_type + "\" not supported: current supported shape types are "
+ "\"cylinder\" and \"slab\"")
self.material_object = None
@@ -58,30 +68,8 @@ class SampleDetails(object):
self.material_object.set_material_properties(abs_cross_sect=absorption_cross_section,
scattering_cross_sect=scattering_cross_section)
- def _print(self):
- print("Sample Details:")
- print("------------------------")
- print("Cylinder:")
- print("Height: {}".format(self.height))
- print("Radius: {}".format(self.radius))
- print("Center X:{}, Y:{}, Z{}".format(self.center[0], self.center[1], self.center[2]))
- print("------------------------")
- if self.material_object is None:
- print("Material has not been set (or has been reset).")
- else:
- self.material_object.print_material()
- print() # Newline for visual spacing
-
@staticmethod
- def _validate_sample_details_constructor_inputs(height, radius, center):
- # Ensure we got double (or int) types and they are sane
- values_to_check = {'height': height, 'radius': radius}
-
- # Attempt to convert them all to floating point relying on the fact on
- # the way Python has aliases to an object
- for key, value in iteritems(values_to_check):
- _check_value_is_physical(property_name=key, value=value)
-
+ def _validate_center(center):
# Center has to be checked specially - it has to be a list of floating point values
if not isinstance(center, list):
raise ValueError("The center of the cylinder must be specified as a list of X, Y, Z co-ordinates."
@@ -95,7 +83,63 @@ class SampleDetails(object):
for val in center:
_check_can_convert_to_float(property_name="center", value=val)
- # All properties validated at this point
+ @staticmethod
+ def validate_constructor_inputs(values_to_check):
+ # Ensure we got double (or int) types and they are sane
+
+ # Attempt to convert them all to floating point relying on the fact on
+ # the way Python has aliases to an object
+ for key, value in iteritems(values_to_check):
+ _check_value_is_physical(property_name=key, value=value)
+ _check_can_convert_to_float(property_name=key, value=value)
+
+ def _print(self):
+ print("Sample Details")
+ print("------------------------")
+ print("Shape type: " + self._shape_type)
+ print("Center X:{}, Y:{}, Z{}".format(self._center[0], self._center[1], self._center[2]))
+
+ self._shape.print_shape()
+ print("------------------------")
+
+ if self.material_object is None:
+ print("Material has not been set (or has been reset).")
+ else:
+ self.material_object.print_material()
+ print() # Newline for visual spacing
+
+ def shape_type(self):
+ return self._shape_type
+
+ def radius(self):
+ if self._shape_type == "cylinder":
+ return self._shape.radius
+ else:
+ raise RuntimeError("Radius is not applicable for the shape type \"{}\"".format(self._shape_type))
+
+ def height(self):
+ return self._shape.height
+
+ def center(self):
+ return self._center
+
+ def width(self):
+ if self._shape_type == "slab":
+ return self._shape.width
+ else:
+ raise RuntimeError("Width is not applicable for the shape type \"{}\"".format(self._shape_type))
+
+ def angle(self):
+ if self._shape_type == "slab":
+ return self._shape.angle
+ else:
+ raise RuntimeError("Angle is not applicable for the shape type \"{}\"".format(self._shape_type))
+
+ def thickness(self):
+ if self._shape_type == "slab":
+ return self._shape.thickness
+ else:
+ raise RuntimeError("Thickness is not applicable for the shape type \"{}\"".format(self._shape_type))
class _Material(object):
@@ -155,21 +199,76 @@ class _Material(object):
self._is_material_props_set = True
+class _Cylinder(object):
+ def __init__(self, kwargs):
+ # By using kwargs we get a better error than "init takes n arguments"
+ height = common.dictionary_key_helper(dictionary=kwargs, key="height",
+ exception_msg=property_err_string.format("height"))
+ radius = common.dictionary_key_helper(dictionary=kwargs, key="radius",
+ exception_msg=property_err_string.format("radius"))
+
+ _Cylinder._validate_constructor_inputs(height=height, radius=radius)
+ SampleDetails.validate_constructor_inputs({"height": height, "radius": radius})
+ self.height = float(height)
+ self.radius = float(radius)
+ self.shape_type = "cylinder"
+
+ @staticmethod
+ def _validate_constructor_inputs(height, radius):
+ # Ensure we got double (or int) types and they are sane
+ values_to_check = {'height': height, 'radius': radius}
+
+ # Attempt to convert them all to floating point relying on the fact on
+ # the way Python has aliases to an object
+ for key, value in iteritems(values_to_check):
+ _check_value_is_physical(property_name=key, value=value)
+ _check_can_convert_to_float(property_name=key, value=value)
+
+ def print_shape(self):
+ print("Height: {}".format(self.height))
+ print("Radius: {}".format(self.radius))
+
+
+class _Slab(object):
+ def __init__(self, kwargs):
+ # By using kwargs we get a better error than "init takes n arguments"
+ thickness = common.dictionary_key_helper(dictionary=kwargs, key="thickness",
+ exception_msg=property_err_string.format("thickness"))
+ width = common.dictionary_key_helper(dictionary=kwargs, key="width",
+ exception_msg=property_err_string.format("width"))
+ height = common.dictionary_key_helper(dictionary=kwargs, key="height",
+ exception_msg=property_err_string.format("height"))
+ angle = common.dictionary_key_helper(dictionary=kwargs, key="angle",
+ exception_msg=property_err_string.format("angle"))
+
+ SampleDetails.validate_constructor_inputs({"thickness": thickness, "width": width, "height": height,
+ "angle": angle})
+ self.thickness = float(thickness)
+ self.width = float(width)
+ self.height = float(height)
+ self.angle = float(angle)
+ self.shape_type = "slab"
+
+ def print_shape(self):
+ print("Thickness: {}".format(self.thickness))
+
+
def _check_value_is_physical(property_name, value):
original_value = value
value = _check_can_convert_to_float(property_name=property_name, value=value)
if value <= 0 or math.isnan(value):
- raise ValueError("The value set for " + property_name + " was: " + str(original_value)
- + " which is impossible for a physical object")
+ raise ValueError("The value set for {} was: {} which is impossible for a physical object".format(property_name,
+ original_value
+ ))
def _check_can_convert_to_float(property_name, value):
original_value = value
value = convert_to_float(value)
if value is None:
- raise ValueError("Could not convert the " + property_name + " to a number."
- " The input was: '" + str(original_value) + "'")
+ raise ValueError("Could not convert the {} to a number. The input was: '{}'".format(property_name,
+ original_value))
return value
diff --git a/scripts/Frequency_Domain_Analysis.py b/scripts/Frequency_Domain_Analysis.py
new file mode 100644
index 0000000000000000000000000000000000000000..d907f51c863ad3c6737233a25e9ed0c840be385a
--- /dev/null
+++ b/scripts/Frequency_Domain_Analysis.py
@@ -0,0 +1,31 @@
+#pylint: disable=invalid-name
+from __future__ import (absolute_import, division, print_function)
+import sys
+
+import PyQt4.QtGui as QtGui
+
+from Muon import FFT_presenter
+from Muon import FFT_view
+
+
+class FrequencyDomainAnalysisGui(QtGui.QMainWindow):
+ def __init__(self,parent=None):
+ super(FrequencyDomainAnalysisGui,self).__init__(parent)
+ view =FFT_view.FFTView(self)
+ self.presenter =FFT_presenter.FFTPresenter(view) #the main ui class in this file is called MainWindow
+ self.setCentralWidget(view)
+ self.setWindowTitle("Frequency Domain Analysis")
+
+
+def qapp():
+ if QtGui.QApplication.instance():
+ _app = QtGui.QApplication.instance()
+ else:
+ _app = QtGui.QApplication(sys.argv)
+ return _app
+
+app = qapp()
+ex= FrequencyDomainAnalysisGui()
+ex.resize(700,700)
+ex.show()
+app.exec_()
diff --git a/scripts/Inelastic/IndirectReductionCommon.py b/scripts/Inelastic/IndirectReductionCommon.py
index 90f6b8c99762e691fd694a67dacf97ff45938c12..2d6cbf6609d772138e6baf57bd15c465cbf30e04 100644
--- a/scripts/Inelastic/IndirectReductionCommon.py
+++ b/scripts/Inelastic/IndirectReductionCommon.py
@@ -25,11 +25,16 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
"""
from mantid.simpleapi import (Load, LoadVesuvio, LoadParameterFile,
ChopData, ExtractSingleSpectrum,
- CropWorkspace)
+ CropWorkspace, DeleteWorkspace)
+ delete_monitors = False
if load_opts is None:
load_opts = {}
+ if "DeleteMonitors" in load_opts:
+ delete_monitors = load_opts["DeleteMonitors"]
+ load_opts.pop("DeleteMonitors")
+
workspace_names = []
for filename in data_files:
@@ -87,6 +92,9 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
OutputWorkspace=monitor_ws_name,
WorkspaceIndex=monitor_index)
+ if delete_monitors:
+ DeleteWorkspace(Workspace=monitor_ws_name)
+
# Crop to the detectors required
chop_ws = mtd[chop_ws_name]
CropWorkspace(InputWorkspace=chop_ws_name,
@@ -104,6 +112,9 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
else:
workspace_names = sum_regular_runs(workspace_names)
+ if delete_monitors:
+ load_opts['DeleteMonitors'] = True
+
logger.information('Summed workspace names: %s' % (str(workspace_names)))
return workspace_names, chopped_data
diff --git a/scripts/Interface/ui/dataprocessorinterface/data_processor_gui.py b/scripts/Interface/ui/dataprocessorinterface/data_processor_gui.py
index 9cad69f2ab03af194c32aee47610af7eeb6aed73..797996ba824d011a7990a150cbd7f7f86faccc97 100644
--- a/scripts/Interface/ui/dataprocessorinterface/data_processor_gui.py
+++ b/scripts/Interface/ui/dataprocessorinterface/data_processor_gui.py
@@ -6,13 +6,13 @@ except ImportError:
from PyQt4 import QtGui
from mantidqtpython import MantidQt
-from ui.reflectometer.ui_data_processor_window import Ui_DataProcessorWindow
+from ui.dataprocessorinterface.ui_data_processor_window import Ui_DataProcessorWindow
canMantidPlot = True
-class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
+class MainPresenter(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter):
"""
A DataProcessorMainPresenter. The base class provides default implementations
but we should re-implement the following methods:
@@ -28,7 +28,7 @@ class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
"""
def __init__(self, gui):
- super(MantidQt.MantidWidgets.DataProcessorMainPresenter, self).__init__()
+ super(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter, self).__init__()
self.gui = gui
def getPreprocessingOptionsAsString(self):
@@ -91,7 +91,7 @@ class DataProcessorGui(QtGui.QMainWindow, Ui_DataProcessorWindow):
# The fifth arument is a prefix added to the value in this column used to generate the name of the reduced run
# (unused if the previous argument is false)
# In addition to the specified columns, a last column 'Options' is always added
- whitelist = MantidQt.MantidWidgets.DataProcessorWhiteList()
+ whitelist = MantidQt.MantidWidgets.DataProcessor.WhiteList()
whitelist.addElement('Runs', 'InputWorkspace', 'The run to reduce', True, '')
whitelist.addElement('Angle', 'ThetaIn', 'The incident angle', False, '')
whitelist.addElement('Transmission Runs', 'FirstTransmissionRun', 'Transmission runs', False, '')
@@ -110,7 +110,7 @@ class DataProcessorGui(QtGui.QMainWindow, Ui_DataProcessorWindow):
# Third argument is a prefix to name the pre-processed workspace
# Fourth argument is used if a 'HintingLineEdit' is used in the interface. In this case it indicates
# the blacklist of properties that should be hidden in the hinting line edit
- preprocess_map = MantidQt.MantidWidgets.DataProcessorPreprocessMap()
+ preprocess_map = MantidQt.MantidWidgets.DataProcessor.PreprocessMap()
preprocess_map.addElement('Runs', 'Plus', '', '')
preprocess_map.addElement('Transmission Runs', 'CreateTransmissionWorkspaceAuto', '', '')
@@ -123,17 +123,19 @@ class DataProcessorGui(QtGui.QMainWindow, Ui_DataProcessorWindow):
# the whitelist above
# Additionally (not specified here) a blacklist of properties can be specified as the third
# argument. These properties will not appear in the 'Options' column when typing
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_','')
+ alg = MantidQt.MantidWidgets.DataProcessor.ProcessingAlgorithm('ReflectometryReductionOneAuto','IvsQ_binned_, IvsQ_, IvsLam_','')
# Post-processing algorithm (optional, but functionality not well tested when not supplied)
# Algorithm to post-process runs belonging to the same group
# First argument is the name of the algorithm
# Second argument is the prefix to be added to the name of the post-processed workspace
# Third argument is a black list of properties to hide if a hinting line edit is added to the interface
- post_alg = MantidQt.MantidWidgets.DataProcessorPostprocessingAlgorithm('Stitch1DMany', 'IvsQ_', 'InputWorkspaces, OutputWorkspaces')
+ post_alg = MantidQt.MantidWidgets.DataProcessor.PostprocessingAlgorithm(
+ 'Stitch1DMany', 'IvsQ_', 'InputWorkspaces, OutputWorkspaces')
# The table widget
- self.data_processor_table = MantidQt.MantidWidgets.QDataProcessorWidget(whitelist, preprocess_map, alg, post_alg, self)
+ self.data_processor_table = MantidQt.MantidWidgets.DataProcessor.QDataProcessorWidget(
+ whitelist, preprocess_map, alg, post_alg, self)
# A main presenter
# Needed to supply global options for pre-processing/processing/post-processing to the widget
@@ -160,33 +162,33 @@ class DataProcessorGui(QtGui.QMainWindow, Ui_DataProcessorWindow):
self.menuFile.clear()
# Actions that go in the 'Edit' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorProcessCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorExpandCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPlotRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPlotGroupCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorAppendRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorAppendGroupCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorGroupRowsCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCopySelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCutSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPasteSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorClearSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorDeleteRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorDeleteGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ProcessCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ExpandCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PlotRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PlotGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.AppendRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.AppendGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.GroupRowsCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.CopySelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.CutSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PasteSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ClearSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DeleteRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DeleteGroupCommand(self.data_processor_table), self.menuEdit)
# Actions that go in the 'File' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorOpenTableCommand(self.data_processor_table), self.menuFile, workspace_list)
- self._create_action(MantidQt.MantidWidgets.DataProcessorNewTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableAsCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorImportTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorExportTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorOptionsCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OpenTableCommand(self.data_processor_table), self.menuFile, workspace_list)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.NewTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableAsCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ImportTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ExportTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OptionsCommand(self.data_processor_table), self.menuFile)
def _create_action(self, command, menu, workspace_list = None):
"""
- Create an action from a given DataProcessorCommand and add it to a given menu
- A 'workspace_list' can be provided but it is only intended to be used with DataProcessorOpenTableCommand.
+ Create an action from a given Command and add it to a given menu
+ A 'workspace_list' can be provided but it is only intended to be used with OpenTableCommand.
It refers to the list of table workspaces in the ADS that could be loaded into the widget. Note that only
table workspaces with an appropriate number of columns and column types can be loaded.
"""
@@ -196,7 +198,7 @@ class DataProcessorGui(QtGui.QMainWindow, Ui_DataProcessorWindow):
submenu.setIcon(QtGui.QIcon(command.icon()))
for ws in workspace_list:
- ws_command = MantidQt.MantidWidgets.DataProcessorWorkspaceCommand(self.data_processor_table, ws)
+ ws_command = MantidQt.MantidWidgets.WorkspaceCommand(self.data_processor_table, ws)
action = QtGui.QAction(QtGui.QIcon(ws_command.icon()), ws_command.name(), self)
action.triggered.connect(lambda: self._connect_action(ws_command))
submenu.addAction(action)
diff --git a/scripts/Interface/ui/poldi/poldi_gui.py b/scripts/Interface/ui/poldi/poldi_gui.py
index b289f2bab670400d1124405dc7c684fd5b8ea01f..0ae97e6fba0e054b78b65fe687a5217ff2756ba4 100644
--- a/scripts/Interface/ui/poldi/poldi_gui.py
+++ b/scripts/Interface/ui/poldi/poldi_gui.py
@@ -13,7 +13,7 @@ from ui.poldi.ui_poldi_window import Ui_PoldiWindow
canMantidPlot = True
-class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
+class MainPresenter(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter):
"""
A DataProcessorMainPresenter. The base class provides default implementations
but we should re-implement the following methods:
@@ -29,7 +29,7 @@ class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
"""
def __init__(self, gui):
- super(MantidQt.MantidWidgets.DataProcessorMainPresenter, self).__init__()
+ super(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter, self).__init__()
self.gui = gui
def getPreprocessingOptionsAsString(self):
@@ -92,7 +92,7 @@ class PoldiGui(QtGui.QMainWindow, Ui_PoldiWindow):
# The fifth arument is a prefix added to the value in this column used to generate the name of the reduced run
# (unused if the previous argument is false)
# In addition to the specified columns, a last column 'Options' is always added
- whitelist = MantidQt.MantidWidgets.DataProcessorWhiteList()
+ whitelist = MantidQt.MantidWidgets.DataProcessor.WhiteList()
whitelist.addElement('Run(s)', 'InputWorkspace', 'Workspace with Poldi 2D-data and valid IDF', True)
whitelist.addElement('Expected peak(s)', 'ExpectedPeaks', 'TableWorkspace with expected peaks used for indexing')
whitelist.addElement('Maximum number of peaks', 'MaximumPeakNumber', 'Maximum number of peaks to process')
@@ -112,13 +112,13 @@ class PoldiGui(QtGui.QMainWindow, Ui_PoldiWindow):
# the whitelist above
# Additionally (not specified here) a blacklist of properties can be specified as the third
# argument. These properties will not appear in the 'Options' column when typing
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm('PoldiDataAnalysis','Poldi_','')
+ alg = MantidQt.MantidWidgets.DataProcessor.ProcessingAlgorithm('PoldiDataAnalysis','Poldi_','')
# Post-processing algorithm (optional)
# Not used in this interface
# The table widget
- self.data_processor_table = MantidQt.MantidWidgets.QDataProcessorWidget(whitelist, alg, self)
+ self.data_processor_table = MantidQt.MantidWidgets.DataProcessor.QDataProcessorWidget(whitelist, alg, self)
# A main presenter
# Needed to supply global options for pre-processing/processing/post-processing to the widget
@@ -150,28 +150,28 @@ class PoldiGui(QtGui.QMainWindow, Ui_PoldiWindow):
self.menuFile.addAction(demo)
# Actions that go in the 'Edit' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorProcessCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorExpandCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPlotRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPlotGroupCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorAppendRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorAppendGroupCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorGroupRowsCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCopySelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCutSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPasteSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorClearSelectedCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorDeleteRowCommand(self.data_processor_table), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorDeleteGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ProcessCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ExpandCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PlotRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PlotGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.AppendRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.AppendGroupCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.GroupRowsCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.CopySelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.CutSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PasteSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ClearSelectedCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DeleteRowCommand(self.data_processor_table), self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DeleteGroupCommand(self.data_processor_table), self.menuEdit)
# Actions that go in the 'File' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorOpenTableCommand(self.data_processor_table), self.menuFile, workspace_list)
- self._create_action(MantidQt.MantidWidgets.DataProcessorNewTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableAsCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorImportTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorExportTableCommand(self.data_processor_table), self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorOptionsCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OpenTableCommand(self.data_processor_table), self.menuFile, workspace_list)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.NewTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableAsCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ImportTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ExportTableCommand(self.data_processor_table), self.menuFile)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OptionsCommand(self.data_processor_table), self.menuFile)
def _demo_clicked(self):
PoldiLoadRuns(2013, 6903, 6904, 2, OutputWorkspace='poldi', MaskBadDetectors=False)
@@ -181,8 +181,8 @@ class PoldiGui(QtGui.QMainWindow, Ui_PoldiWindow):
def _create_action(self, command, menu, workspace_list = None):
"""
- Create an action from a given DataProcessorCommand and add it to a given menu
- A 'workspace_list' can be provided but it is only intended to be used with DataProcessorOpenTableCommand.
+ Create an action from a given Command and add it to a given menu
+ A 'workspace_list' can be provided but it is only intended to be used with OpenTableCommand.
It refers to the list of table workspaces in the ADS that could be loaded into the widget. Note that only
table workspaces with an appropriate number of columns and column types can be loaded.
"""
@@ -192,7 +192,7 @@ class PoldiGui(QtGui.QMainWindow, Ui_PoldiWindow):
submenu.setIcon(QtGui.QIcon(command.icon()))
for ws in workspace_list:
- ws_command = MantidQt.MantidWidgets.DataProcessorWorkspaceCommand(self.data_processor_table, ws)
+ ws_command = MantidQt.MantidWidgets.DataProcessor.WorkspaceCommand(self.data_processor_table, ws)
action = QtGui.QAction(QtGui.QIcon(ws_command.icon()), ws_command.name(), self)
action.triggered.connect(lambda: self._connect_action(ws_command))
submenu.addAction(action)
diff --git a/scripts/Interface/ui/reflectometer/refl_gui.py b/scripts/Interface/ui/reflectometer/refl_gui.py
index 38b16362740a05f5873bff0e76e93f1acde6e3de..dbbaf544b7833fd6b44a33b33c0f8bfe6d54d9a1 100644
--- a/scripts/Interface/ui/reflectometer/refl_gui.py
+++ b/scripts/Interface/ui/reflectometer/refl_gui.py
@@ -254,7 +254,7 @@ class ReflGui(QtGui.QMainWindow, Ui_windowRefl):
# Setup polarisation options with default assigned
self.comboPolarCorrect.clear()
- self.comboPolarCorrect.addItems(self.polarisation_options.keys())
+ self.comboPolarCorrect.addItems(list(self.polarisation_options.keys()))
self.comboPolarCorrect.setCurrentIndex(self.comboPolarCorrect.findText('None'))
self.current_polarisation_method = self.polarisation_options['None']
self.comboPolarCorrect.setEnabled(self.current_instrument in self.polarisation_instruments)
diff --git a/scripts/Interface/ui/sans_isis/masking_table.py b/scripts/Interface/ui/sans_isis/masking_table.py
index 934438318df0081c3951ccff51aa62b4cf509969..c2e86bfcaab18da63deca8a5ec4d9321c8740ed6 100644
--- a/scripts/Interface/ui/sans_isis/masking_table.py
+++ b/scripts/Interface/ui/sans_isis/masking_table.py
@@ -38,6 +38,7 @@ class MaskingTable(QtGui.QWidget, ui_masking_table.Ui_MaskingTable):
# Hook up signal and slots
self.connect_signals()
self._masking_tab_listeners = []
+ self.masking_table.setEditTriggers(QtGui.QAbstractItemView.NoEditTriggers)
def add_listener(self, listener):
if not isinstance(listener, MaskingTable.MaskingTableListener):
@@ -62,6 +63,7 @@ class MaskingTable(QtGui.QWidget, ui_masking_table.Ui_MaskingTable):
def connect_signals(self):
self.select_row_combo_box.currentIndexChanged.connect(self.on_row_changed)
+ self.display_mask_push_button.clicked.connect(self.on_display)
# ------------------------------------------------------------------------------------------------------------------
# Actions
@@ -101,3 +103,11 @@ class MaskingTable(QtGui.QWidget, ui_masking_table.Ui_MaskingTable):
self.masking_table.setItem(row, 0, entry_type)
self.masking_table.setItem(row, 1, entry_detector)
self.masking_table.setItem(row, 2, entry_detail)
+
+ def set_display_mask_button_to_processing(self):
+ self.display_mask_push_button.setText("Processing ...")
+ self.display_mask_push_button.setEnabled(False)
+
+ def set_display_mask_button_to_normal(self):
+ self.display_mask_push_button.setText("Display Mask")
+ self.display_mask_push_button.setEnabled(True)
diff --git a/scripts/Interface/ui/sans_isis/masking_table.ui b/scripts/Interface/ui/sans_isis/masking_table.ui
index 89ca3dddd0b299ea61072bd16dc300c24763e525..29da7e2fb9998c60da19b8c66649e258fb599ba2 100644
--- a/scripts/Interface/ui/sans_isis/masking_table.ui
+++ b/scripts/Interface/ui/sans_isis/masking_table.ui
@@ -69,6 +69,16 @@
</property>
</widget>
</item>
+ <item row="2" column="1">
+ <widget class="QPushButton" name="display_mask_push_button">
+ <property name="toolTip">
+ <string><html><head/><body><p>Displays the masked scatter sample workspace in the InstrumentView. Note that the generation of the InstrumentView migth take several seconds.</p></body></html></string>
+ </property>
+ <property name="text">
+ <string>Display Mask</string>
+ </property>
+ </widget>
+ </item>
</layout>
</widget>
</item>
diff --git a/scripts/Interface/ui/sans_isis/sans_data_processor_gui.py b/scripts/Interface/ui/sans_isis/sans_data_processor_gui.py
index 94111efab9eb2ef5450710ab2333b23292f2ad44..4433b78e1cf54ba7f0fd853027e270e2bd25bd96 100644
--- a/scripts/Interface/ui/sans_isis/sans_data_processor_gui.py
+++ b/scripts/Interface/ui/sans_isis/sans_data_processor_gui.py
@@ -23,21 +23,7 @@ from . import ui_sans_data_processor_window as ui_sans_data_processor_window
from sans.common.enums import (ReductionDimensionality, OutputMode, SaveType, SANSInstrument,
RangeStepType, SampleShape, ReductionMode, FitType)
from sans.gui_logic.gui_common import (get_reduction_mode_from_gui_selection,
- get_string_for_gui_from_reduction_mode)
-
-
-# ----------------------------------------------------------------------------------------------------------------------
-# Free Functions
-# ----------------------------------------------------------------------------------------------------------------------
-def open_file_dialog(line_edit, filter_text, directory):
- dlg = QtGui.QFileDialog()
- dlg.setFileMode(QtGui.QFileDialog.AnyFile)
- dlg.setFilter(filter_text)
- dlg.setDirectory(directory)
- if dlg.exec_():
- file_names = dlg.selectedFiles()
- if file_names:
- line_edit.setText(file_names[0])
+ get_string_for_gui_from_reduction_mode, GENERIC_SETTINGS, load_file)
# ----------------------------------------------------------------------------------------------------------------------
@@ -60,6 +46,10 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
def on_batch_file_load(self):
pass
+ @abstractmethod
+ def on_mask_file_add(self):
+ pass
+
@abstractmethod
def on_processed_clicked(self):
pass
@@ -87,9 +77,10 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
self._settings_listeners = []
# Q Settings
- self.__generic_settings = "Mantid/ISISSANS"
+ self.__generic_settings = GENERIC_SETTINGS
self.__path_key = "sans_path"
self.__instrument_name = "sans_instrument"
+ self.__mask_file_input_path_key = "mask_files"
# Logger
self.gui_logger = Logger("SANS GUI LOGGER")
@@ -98,7 +89,8 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
SANSDataProcessorGui.INSTRUMENTS = ",".join([SANSInstrument.to_string(item)
for item in [SANSInstrument.SANS2D,
SANSInstrument.LOQ,
- SANSInstrument.LARMOR]])
+ SANSInstrument.LARMOR,
+ SANSInstrument.ZOOM]])
settings = QtCore.QSettings()
settings.beginGroup(self.__generic_settings)
instrument_name = settings.value(self.__instrument_name,
@@ -112,7 +104,7 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
def add_listener(self, listener):
if not isinstance(listener, SANSDataProcessorGui.RunTabListener):
- raise ValueError("The listener ist not of type RunTabListener but rather {}".format(type(listener)))
+ raise ValueError("The listener is not of type RunTabListener but rather {}".format(type(listener)))
self._settings_listeners.append(listener)
def clear_listeners(self):
@@ -148,11 +140,14 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
settings_icon = QtGui.QIcon(settings_icon_path)
_ = QtGui.QListWidgetItem(settings_icon, "Settings", self.tab_choice_list) # noqa
+ # Set the 0th row enabled
+ self.tab_choice_list.setCurrentRow(0)
+
# --------------------------------------------------------------------------------------------------------------
# Algorithm setup
# --------------------------------------------------------------------------------------------------------------
# Setup white list
- white_list = MantidQt.MantidWidgets.DataProcessorWhiteList()
+ white_list = MantidQt.MantidWidgets.DataProcessor.WhiteList()
for entry in self._white_list_entries:
# If there is a column name specified, then it is a white list entry.
if entry.column_name:
@@ -162,13 +157,13 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
# Setup the black list, ie the properties which should not appear in the Options column
# Processing algorithm (mandatory)
- alg = MantidQt.MantidWidgets.DataProcessorProcessingAlgorithm(self._gui_algorithm_name, 'unused_',
- self._black_list)
+ alg = MantidQt.MantidWidgets.DataProcessor.ProcessingAlgorithm(self._gui_algorithm_name,
+ 'unused_', self._black_list)
# --------------------------------------------------------------------------------------------------------------
# Main Tab
# --------------------------------------------------------------------------------------------------------------
- self.data_processor_table = MantidQt.MantidWidgets.QDataProcessorWidget(white_list, alg, self)
+ self.data_processor_table = MantidQt.MantidWidgets.DataProcessor.QDataProcessorWidget(white_list, alg, self)
self.data_processor_table.setForcedReProcessing(True)
self._setup_main_tab()
@@ -185,6 +180,10 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
self.reduction_mode_combo_box.currentIndexChanged.connect(self._on_reduction_mode_selection_has_changed)
self._on_reduction_mode_selection_has_changed() # Disable the merge settings initially
+ # Mask file input settings
+ self.mask_file_browse_push_button.clicked.connect(self._on_load_mask_file)
+ self.mask_file_add_push_button.clicked.connect(self._on_mask_file_add)
+
# Set the q step type settings
self.q_1d_step_type_combo_box.currentIndexChanged.connect(self._on_q_1d_step_type_has_changed)
self._on_q_1d_step_type_has_changed()
@@ -223,6 +222,10 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
self.user_file_button.clicked.connect(self._on_user_file_load)
self.batch_button.clicked.connect(self._on_batch_file_load)
+ # Disable the line edit fields. The user should not edit the paths manually. They have to use the button.
+ self.user_file_line_edit.setDisabled(True)
+ self.batch_line_edit.setDisabled(True)
+
# --------------------------------------------------------------------------------------------------------------
# Table setup
# --------------------------------------------------------------------------------------------------------------
@@ -258,8 +261,8 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
Load the user file
"""
# Load the user file
- self._load_file(self.user_file_line_edit, "*.*", self.__generic_settings, self.__path_key,
- self.get_user_file_path)
+ load_file(self.user_file_line_edit, "*.*", self.__generic_settings, self.__path_key,
+ self.get_user_file_path)
# Notify presenters
self._call_settings_listeners(lambda listener: listener.on_user_file_load())
@@ -268,8 +271,8 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
"""
Load the batch file
"""
- self._load_file(self.batch_line_edit, "*.*", self.__generic_settings, self.__path_key,
- self.get_batch_file_path)
+ load_file(self.batch_line_edit, "*.*", self.__generic_settings, self.__path_key,
+ self.get_batch_file_path)
self._call_settings_listeners(lambda listener: listener.on_batch_file_load())
def _set_mantid_instrument(self, instrument_string):
@@ -293,49 +296,30 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
def get_batch_file_path(self):
return str(self.batch_line_edit.text())
- @staticmethod
- def _load_file(line_edit_field, filter_for_dialog, q_settings_group_key, q_settings_key, func):
- # Get the last location of the user file
- settings = QtCore.QSettings()
- settings.beginGroup(q_settings_group_key)
- last_path = settings.value(q_settings_key, "", type=str)
- settings.endGroup()
-
- # Open the dialog
- open_file_dialog(line_edit_field, filter_for_dialog, last_path)
-
- # Save the new location
- new_path, _ = os.path.split(func())
- if new_path:
- settings = QtCore.QSettings()
- settings.beginGroup(q_settings_group_key)
- settings.setValue(q_settings_key, new_path)
- settings.endGroup()
-
def _on_load_pixel_adjustment_det_1(self):
- self._load_file(self.pixel_adjustment_det_1_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_pixel_adjustment_det_1)
+ load_file(self.pixel_adjustment_det_1_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_pixel_adjustment_det_1)
def get_pixel_adjustment_det_1(self):
return str(self.pixel_adjustment_det_1_line_edit.text())
def _on_load_pixel_adjustment_det_2(self):
- self._load_file(self.pixel_adjustment_det_2_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_pixel_adjustment_det_2)
+ load_file(self.pixel_adjustment_det_2_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_pixel_adjustment_det_2)
def get_pixel_adjustment_det_2(self):
return str(self.pixel_adjustment_det_2_line_edit.text())
def _on_load_wavelength_adjustment_det_1(self):
- self._load_file(self.wavelength_adjustment_det_1_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_wavelength_adjustment_det_1)
+ load_file(self.wavelength_adjustment_det_1_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_wavelength_adjustment_det_1)
def get_wavelength_adjustment_det_1(self):
return str(self.wavelength_adjustment_det_1_line_edit.text())
def _on_load_wavelength_adjustment_det_2(self):
- self._load_file(self.wavelength_adjustment_det_2_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_wavelength_adjustment_det_2)
+ load_file(self.wavelength_adjustment_det_2_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_wavelength_adjustment_det_2)
def get_wavelength_adjustment_det_2(self):
return str(self.wavelength_adjustment_det_2_line_edit.text())
@@ -437,10 +421,9 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
use_roi = not use_monitor
self.transmission_monitor_label.setEnabled(use_monitor)
- self.transmission_m3_radio_button.setEnabled(use_monitor)
- self.transmission_m4_radio_button.setEnabled(use_monitor)
- self.transmission_m4_shift_label.setEnabled(use_monitor)
- self.transmission_m4_shift_line_edit.setEnabled(use_monitor)
+ self.transmission_monitor_line_edit.setEnabled(use_monitor)
+ self.transmission_mn_shift_label.setEnabled(use_monitor)
+ self.transmission_mn_shift_line_edit.setEnabled(use_monitor)
self.transmission_radius_label.setEnabled(use_roi)
self.transmission_radius_line_edit.setEnabled(use_roi)
@@ -455,22 +438,32 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
return str(self.transmission_roi_files_line_edit.text())
def _on_load_transmission_roi_files(self):
- self._load_file(self.transmission_roi_files_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_transmission_roi_files)
+ load_file(self.transmission_roi_files_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_transmission_roi_files)
def get_transmission_mask_files(self):
return str(self.transmission_mask_files_line_edit.text())
def _on_load_transmission_mask_files(self):
- self._load_file(self.transmission_mask_files_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_transmission_mask_files)
+ load_file(self.transmission_mask_files_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_transmission_mask_files)
def get_moderator_file(self):
return str(self.q_resolution_moderator_file_line_edit.text())
def _on_load_moderator_file(self):
- self._load_file(self.q_resolution_moderator_file_line_edit, "*.*", self.__generic_settings,
- self.__path_key, self.get_moderator_file)
+ load_file(self.q_resolution_moderator_file_line_edit, "*.*", self.__generic_settings,
+ self.__path_key, self.get_moderator_file)
+
+ def get_mask_file(self):
+ return str(self.mask_file_input_line_edit.text())
+
+ def _on_load_mask_file(self):
+ self._load_file(self.mask_file_input_line_edit, "*.*", self.__generic_settings,
+ self.__mask_file_input_path_key, self.get_mask_file)
+
+ def _on_mask_file_add(self):
+ self._call_settings_listeners(lambda listener: listener.on_mask_file_add())
# ------------------------------------------------------------------------------------------------------------------
# Elements which can be set and read by the model
@@ -900,22 +893,19 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
@property
def transmission_monitor(self):
- return 3 if self.transmission_m3_radio_button.isChecked() else 4
+ return self.get_simple_line_edit_field(line_edit="transmission_monitor_line_edit", expected_type=int)
@transmission_monitor.setter
def transmission_monitor(self, value):
- if value == 3:
- self.transmission_m3_radio_button.setChecked(True)
- else:
- self.transmission_m4_radio_button.setChecked(True)
+ self.update_simple_line_edit_field(line_edit="transmission_monitor_line_edit", value=value)
@property
- def transmission_m4_shift(self):
- return self.get_simple_line_edit_field(line_edit="transmission_m4_shift_line_edit", expected_type=float)
+ def transmission_mn_shift(self):
+ return self.get_simple_line_edit_field(line_edit="transmission_mn_shift_line_edit", expected_type=float)
- @transmission_m4_shift.setter
- def transmission_m4_shift(self, value):
- self.update_simple_line_edit_field(line_edit="transmission_m4_shift_line_edit", value=value)
+ @transmission_mn_shift.setter
+ def transmission_mn_shift(self, value):
+ self.update_simple_line_edit_field(line_edit="transmission_mn_shift_line_edit", value=value)
# ------------------------------------------------------------------------------------------------------------------
# Transmission fit
@@ -1124,6 +1114,7 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
# Set to the default
self.q_1d_step_type_combo_box.setCurrentIndex(0)
else:
+ self.update_gui_combo_box(value=value, expected_type=RangeStepType, combo_box="q_1d_step_type_combo_box")
# Set the list
if isinstance(value, list):
gui_element = self.q_1d_step_type_combo_box
@@ -1374,8 +1365,9 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
# --------------------------------
self.monitor_normalization_line_edit.setValidator(positive_integer_validator)
self.transmission_line_edit.setValidator(positive_integer_validator)
+ self.transmission_monitor_line_edit.setValidator(positive_integer_validator)
self.transmission_radius_line_edit.setValidator(positive_double_validator)
- self.transmission_m4_shift_line_edit.setValidator(double_validator)
+ self.transmission_mn_shift_line_edit.setValidator(double_validator)
self.fit_sample_wavelength_min_line_edit.setValidator(positive_double_validator)
self.fit_sample_wavelength_max_line_edit.setValidator(positive_double_validator)
@@ -1385,6 +1377,7 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
# --------------------------------
# Q tab
# --------------------------------
+ self.q_1d_min_line_edit.setValidator(double_validator)
self.q_1d_max_line_edit.setValidator(double_validator)
self.q_1d_step_line_edit.setValidator(positive_double_validator)
self.q_xy_max_line_edit.setValidator(positive_double_validator) # Yes, this should be positive!
@@ -1439,8 +1432,8 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
self.transmission_line_edit.setText("")
self.transmission_interpolating_rebin_check_box.setChecked(False)
self.transmission_target_combo_box.setCurrentIndex(0)
- self.transmission_m3_radio_button.setChecked(True)
- self.transmission_m4_shift_line_edit.setText("")
+ self.transmission_monitor_line_edit.setText("")
+ self.transmission_mn_shift_line_edit.setText("")
self.transmission_radius_line_edit.setText("")
self.transmission_roi_files_line_edit.setText("")
self.transmission_mask_files_line_edit.setText("")
@@ -1518,43 +1511,43 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
self.menuFile.clear()
# Actions that go in the 'Edit' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorProcessCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ProcessCommand(self.data_processor_table),
+ self.menuEdit)
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PlotRowCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPlotRowCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorAppendRowCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorAppendRowCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorCopySelectedCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCopySelectedCommand(self.data_processor_table
- ), self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorCutSelectedCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorCutSelectedCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorPasteSelectedCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.PasteSelectedCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorClearSelectedCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorClearSelectedCommand(self.data_processor_table),
self.menuEdit)
- self._create_action(MantidQt.MantidWidgets.DataProcessorDeleteRowCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorDeleteRowCommand(self.data_processor_table),
self.menuEdit)
# Actions that go in the 'File' menu
- self._create_action(MantidQt.MantidWidgets.DataProcessorOpenTableCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OpenTableCommand(self.data_processor_table),
self.menuFile, workspace_list)
- self._create_action(MantidQt.MantidWidgets.DataProcessorNewTableCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.NewTableCommand(self.data_processor_table),
self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableCommand(self.data_processor_table),
self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorSaveTableAsCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.SaveTableAsCommand(self.data_processor_table),
self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorImportTableCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.ImportTableCommand(self.data_processor_table),
self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorExportTableCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.DataProcessorExportTableCommand(self.data_processor_table),
self.menuFile)
- self._create_action(MantidQt.MantidWidgets.DataProcessorOptionsCommand(self.data_processor_table),
+ self._create_action(MantidQt.MantidWidgets.DataProcessor.OptionsCommand(self.data_processor_table),
self.menuFile)
def _create_action(self, command, menu, workspace_list=None):
"""
Create an action from a given DataProcessorCommand and add it to a given menu
- A 'workspace_list' can be provided but it is only intended to be used with DataProcessorOpenTableCommand.
+ A 'workspace_list' can be provided but it is only intended to be used with OpenTableCommand.
It refers to the list of table workspaces in the ADS that could be loaded into the widget. Note that only
table workspaces with an appropriate number of columns and column types can be loaded.
"""
@@ -1563,7 +1556,7 @@ class SANSDataProcessorGui(QtGui.QMainWindow, ui_sans_data_processor_window.Ui_S
submenu.setIcon(QtGui.QIcon(command.icon()))
for ws in workspace_list:
- ws_command = MantidQt.MantidWidgets.DataProcessorWorkspaceCommand(self.data_processor_table, ws)
+ ws_command = MantidQt.MantidWidgets.DataProcessor.WorkspaceCommand(self.data_processor_table, ws)
action = QtGui.QAction(QtGui.QIcon(ws_command.icon()), ws_command.name(), self)
action.triggered.connect(lambda: self._connect_action(ws_command))
submenu.addAction(action)
diff --git a/scripts/Interface/ui/sans_isis/sans_data_processor_window.ui b/scripts/Interface/ui/sans_isis/sans_data_processor_window.ui
index 4db2388268b7fbde08dabca85a41c48b14ea20b5..a27f5fa92952885005787fbdd2ab0fe42e4cb50f 100644
--- a/scripts/Interface/ui/sans_isis/sans_data_processor_window.ui
+++ b/scripts/Interface/ui/sans_isis/sans_data_processor_window.ui
@@ -6,7 +6,7 @@
<rect>
<x>0</x>
<y>0</y>
- <width>1072</width>
+ <width>1211</width>
<height>897</height>
</rect>
</property>
@@ -64,7 +64,7 @@ QGroupBox::title {
<item>
<widget class="QStackedWidget" name="main_stacked_widget">
<property name="currentIndex">
- <number>0</number>
+ <number>1</number>
</property>
<widget class="QWidget" name="run_page">
<layout class="QVBoxLayout" name="verticalLayout_3">
@@ -339,7 +339,7 @@ QGroupBox::title {
<item>
<widget class="QTabWidget" name="settings_tab_widget">
<property name="currentIndex">
- <number>0</number>
+ <number>2</number>
</property>
<widget class="QWidget" name="general_tab">
<attribute name="title">
@@ -875,6 +875,32 @@ QGroupBox::title {
</layout>
</widget>
</item>
+ <item>
+ <widget class="QGroupBox" name="mask_file_input_group_box">
+ <property name="title">
+ <string>Mask File Input</string>
+ </property>
+ <layout class="QGridLayout" name="gridLayout_7">
+ <item row="0" column="0">
+ <widget class="QLineEdit" name="mask_file_input_line_edit"/>
+ </item>
+ <item row="0" column="1">
+ <widget class="QPushButton" name="mask_file_browse_push_button">
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="1">
+ <widget class="QPushButton" name="mask_file_add_push_button">
+ <property name="text">
+ <string>Add</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
<item>
<spacer name="verticalSpacer_4">
<property name="orientation">
@@ -1056,7 +1082,7 @@ QGroupBox::title {
</widget>
</item>
<item row="4" column="2">
- <widget class="QLineEdit" name="transmission_m4_shift_line_edit">
+ <widget class="QLineEdit" name="transmission_mn_shift_line_edit">
<property name="toolTip">
<string><html><head/><body><p>An option shift of the M4 monitor.</p></body></html></string>
</property>
@@ -1070,12 +1096,12 @@ QGroupBox::title {
</widget>
</item>
<item row="4" column="0">
- <widget class="QLabel" name="transmission_m4_shift_label">
+ <widget class="QLabel" name="transmission_mn_shift_label">
<property name="toolTip">
<string><html><head/><body><p>An option shift of the M4 monitor.</p></body></html></string>
</property>
<property name="text">
- <string>M4 Shift [m]</string>
+ <string>Monitor Shift [mm]</string>
</property>
</widget>
</item>
@@ -1089,30 +1115,6 @@ QGroupBox::title {
</property>
</widget>
</item>
- <item row="3" column="2">
- <layout class="QGridLayout" name="gridLayout_14">
- <item row="1" column="0">
- <widget class="QRadioButton" name="transmission_m3_radio_button">
- <property name="toolTip">
- <string><html><head/><body><p>If this is selected then the standard transmission monitor is used for transmission calculation.</p></body></html></string>
- </property>
- <property name="text">
- <string>M3</string>
- </property>
- </widget>
- </item>
- <item row="1" column="1">
- <widget class="QRadioButton" name="transmission_m4_radio_button">
- <property name="toolTip">
- <string><html><head/><body><p>If this is selected then the M4 transmission monitor is used for transmission calculation. This is the monitor which is located just before the detector. The name of this monitor might be different for some instruments (e.g. in ZOOM it is M5).</p></body></html></string>
- </property>
- <property name="text">
- <string>M4</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
<item row="8" column="0" colspan="4">
<widget class="QGroupBox" name="fit_combo_box">
<property name="toolTip">
@@ -1322,6 +1324,9 @@ QGroupBox::title {
</layout>
</widget>
</item>
+ <item row="3" column="2">
+ <widget class="QLineEdit" name="transmission_monitor_line_edit"/>
+ </item>
</layout>
</widget>
</item>
@@ -1867,7 +1872,7 @@ QGroupBox::title {
<rect>
<x>0</x>
<y>0</y>
- <width>1072</width>
+ <width>1211</width>
<height>22</height>
</rect>
</property>
@@ -1889,13 +1894,13 @@ QGroupBox::title {
<customwidget>
<class>SettingsDiagnosticTab</class>
<extends>QWidget</extends>
- <header>settings_diagnostic_tab.h</header>
+ <header>ui.sans_isis.settings_diagnostic_tab</header>
<container>1</container>
</customwidget>
<customwidget>
<class>MaskingTable</class>
<extends>QWidget</extends>
- <header>masking_table.h</header>
+ <header>ui.sans_isis.masking_table</header>
<container>1</container>
</customwidget>
</customwidgets>
diff --git a/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.py b/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.py
index e53cf665ffdce6709a45284a7f0985644b1864a0..aee7c12cce943ac61f3427282993291bb6740f3e 100644
--- a/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.py
+++ b/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.py
@@ -9,10 +9,12 @@ from __future__ import (absolute_import, division, print_function)
import six
from abc import ABCMeta, abstractmethod
+import os
from six import with_metaclass
from PyQt4 import QtGui
+from sans.gui_logic.gui_common import (GENERIC_SETTINGS, JSON_SUFFIX, load_file)
import ui_settings_diagnostic_tab
if six.PY3:
@@ -40,6 +42,10 @@ class SettingsDiagnosticTab(QtGui.QWidget, ui_settings_diagnostic_tab.Ui_Setting
def on_expand(self):
pass
+ @abstractmethod
+ def on_save_state_to_file(self):
+ pass
+
def __init__(self):
super(SettingsDiagnosticTab, self).__init__()
self.setupUi(self)
@@ -52,9 +58,13 @@ class SettingsDiagnosticTab(QtGui.QWidget, ui_settings_diagnostic_tab.Ui_Setting
self.excluded = ["state_module", "state_name"]
self.class_type_id = "ClassTypeParameter"
+ # Q Settings
+ self.__generic_settings = GENERIC_SETTINGS
+ self.__save_location_path_key = "save_state_location"
+
def add_listener(self, listener):
if not isinstance(listener, SettingsDiagnosticTab.SettingsDiagnosticTabListener):
- raise ValueError("The listener ist not of type SettingsDiagnosticTabListener but rather {}".format(type(listener)))
+ raise ValueError("The listener is not of type SettingsDiagnosticTabListener but rather {}".format(type(listener)))
self._settings_diagnostic_listeners.append(listener)
def clear_listeners(self):
@@ -76,11 +86,31 @@ class SettingsDiagnosticTab(QtGui.QWidget, ui_settings_diagnostic_tab.Ui_Setting
def on_update_rows(self):
self._call_settings_diagnostic_listeners(lambda listener: listener.on_update_rows())
+ def on_save_state(self):
+ self._call_settings_diagnostic_listeners(lambda listener: listener.on_save_state_to_file())
+
+ def on_browse_save_location(self):
+ load_file(self.save_state_line_edit, "*.json", self.__generic_settings, self.__save_location_path_key,
+ self.get_save_location)
+
+ # Correct the file extension. The output file has to be a json type file. If the user has added a different
+ # file extension then change it to .json
+ save_location = self.get_save_location()
+ path_dir = os.path.dirname(save_location)
+ if not path_dir:
+ return
+
+ file_name, _ = os.path.splitext(save_location)
+ full_file_path = file_name + JSON_SUFFIX
+ self.save_state_line_edit.setText(full_file_path)
+
def connect_signals(self):
self.select_row_combo_box.currentIndexChanged.connect(self.on_row_changed)
self.select_row_push_button.clicked.connect(self.on_update_rows)
self.collapse_button.clicked.connect(self.on_collapse)
self.expand_button.clicked.connect(self.on_expand)
+ self.save_state_save_push_button.clicked.connect(self.on_save_state)
+ self.save_state_browse_push_button.clicked.connect(self.on_browse_save_location)
# ------------------------------------------------------------------------------------------------------------------
# Actions
@@ -146,3 +176,9 @@ class SettingsDiagnosticTab(QtGui.QWidget, ui_settings_diagnostic_tab.Ui_Setting
for index in range(self.tree_widget.topLevelItemCount()):
top_level_item = self.tree_widget.topLevelItem(index)
self.tree_widget.expandItem(top_level_item)
+
+ def get_save_location(self):
+ return str(self.save_state_line_edit.text())
+
+ def set_save_location(self, full_file_path):
+ self.save_state_line_edit.setText(full_file_path)
diff --git a/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.ui b/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.ui
index a3bb4b2be4b1be1832a64c430d00a8a854bd000d..b93973b6e2c4f76d8657728f593d47acbf62e6a5 100644
--- a/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.ui
+++ b/scripts/Interface/ui/sans_isis/settings_diagnostic_tab.ui
@@ -88,6 +88,39 @@
</column>
</widget>
</item>
+ <item>
+ <widget class="QGroupBox" name="save_state_group_box">
+ <property name="title">
+ <string>Save current state to file</string>
+ </property>
+ <layout class="QGridLayout" name="gridLayout">
+ <item row="0" column="0">
+ <widget class="QLabel" name="save_state_label">
+ <property name="text">
+ <string>Save to</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="2">
+ <widget class="QPushButton" name="save_state_browse_push_button">
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="1">
+ <widget class="QLineEdit" name="save_state_line_edit"/>
+ </item>
+ <item row="0" column="3">
+ <widget class="QPushButton" name="save_state_save_push_button">
+ <property name="text">
+ <string>Save</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ </item>
</layout>
</widget>
<resources/>
diff --git a/scripts/Interface/ui/sans_isis/work_handler.py b/scripts/Interface/ui/sans_isis/work_handler.py
new file mode 100644
index 0000000000000000000000000000000000000000..3b0ca71671297026e629931039aeb397ca71313a
--- /dev/null
+++ b/scripts/Interface/ui/sans_isis/work_handler.py
@@ -0,0 +1,52 @@
+from PyQt4.QtCore import pyqtSlot, QThreadPool
+from abc import ABCMeta, abstractmethod
+from six import with_metaclass
+from worker import Worker
+
+
+class WorkHandler(object):
+ class WorkListener(with_metaclass(ABCMeta, object)):
+ def __init__(self):
+ pass
+
+ @abstractmethod
+ def on_processing_finished(self, result):
+ pass
+
+ @abstractmethod
+ def on_processing_error(self, error):
+ pass
+
+ def __init__(self):
+ self.thread_pool = None
+ self._listener = None
+ self._worker = None
+
+ def _add_listener(self, listener):
+ if not isinstance(listener, WorkHandler.WorkListener):
+ raise ValueError("The listener ist not of type WorkListener but rather {}".format(type(listener)))
+ self._listener = listener
+
+ @pyqtSlot()
+ def on_finished(self):
+ result = self._worker.result
+ self._worker = None
+ self._listener.on_processing_finished(result)
+
+ @pyqtSlot()
+ def on_error(self, error):
+ self._worker = None
+ self._listener.on_processing_error(error)
+
+ def process(self, caller, func, *args, **kwargs):
+ # Add the caller
+ self._add_listener(caller)
+
+ # Generate worker
+ self._worker = Worker(func, *args, **kwargs)
+ self._worker.signals.finished.connect(self.on_finished)
+ self._worker.signals.error.connect(self.on_error)
+
+ if not self.thread_pool:
+ self.thread_pool = QThreadPool()
+ self.thread_pool.start(self._worker)
diff --git a/scripts/Interface/ui/sans_isis/worker.py b/scripts/Interface/ui/sans_isis/worker.py
new file mode 100644
index 0000000000000000000000000000000000000000..f8bfbf6644c2d15f90b80c6c7711c6c1f2792250
--- /dev/null
+++ b/scripts/Interface/ui/sans_isis/worker.py
@@ -0,0 +1,38 @@
+from PyQt4.QtCore import QRunnable, pyqtSlot, pyqtSignal, QObject
+import traceback
+import sys
+# Following https://martinfitzpatrick.name/article/multithreading-pyqt-applications-with-qthreadpool/
+
+
+class WorkerSignals(QObject):
+ finished = pyqtSignal()
+ error = pyqtSignal(tuple)
+
+
+class Worker(QRunnable):
+ """
+ Worker thread which allows for async execution
+ """
+
+ def __init__(self, func, *args, **kwargs):
+ super(Worker, self).__init__()
+ self.func = func
+ self.args = args
+ self.kwargs = kwargs
+ self.signals = WorkerSignals()
+
+ self.result = None
+
+ @pyqtSlot()
+ def run(self):
+ """
+ Async runner
+ """
+ try:
+ self.result = self.func(*self.args, **self.kwargs)
+ except: # noqa
+ traceback.print_exc()
+ exception_type, value = sys.exc_info()[:2]
+ self.signals.error.emit((exception_type, value, traceback.format_exc()))
+ finally:
+ self.signals.finished.emit()
diff --git a/scripts/Muon/CMakeLists.txt b/scripts/Muon/CMakeLists.txt
new file mode 100644
index 0000000000000000000000000000000000000000..4b621c70759f07d6c53b69ae02cda776850a1343
--- /dev/null
+++ b/scripts/Muon/CMakeLists.txt
@@ -0,0 +1,7 @@
+include (UiToPy)
+
+# List of UIs to Auto convert
+set( UI_FILES
+)
+
+UiToPy( UI_FILES CompileUIFrequency_Domain_Analysis)
diff --git a/scripts/Muon/FFT_presenter.py b/scripts/Muon/FFT_presenter.py
new file mode 100644
index 0000000000000000000000000000000000000000..e48aa166e2b8182bf3e6ba65123246908237e575
--- /dev/null
+++ b/scripts/Muon/FFT_presenter.py
@@ -0,0 +1,62 @@
+from __future__ import (absolute_import, division, print_function)
+from six import iteritems
+
+import mantid.simpleapi as mantid
+
+
+class FFTPresenter(object):
+
+ def __init__(self,view):
+ self.view=view
+ # set data
+ self.getWorkspaceNames()
+ #connect
+ self.view.tableClickSignal.connect(self.tableClicked)
+ self.view.buttonSignal.connect(self.handleButton)
+
+ # only get ws that are groups or pairs
+ # ignore raw
+ def getWorkspaceNames(self):
+ options = mantid.AnalysisDataService.getObjectNames()
+ options = [item.replace(" ","") for item in options]
+ final_options = []
+ for pick in options:
+ if ";" in pick and "Raw" not in pick:
+ final_options.append(pick)
+ self.view.addItems(final_options)
+
+ #functions
+ def tableClicked(self,row,col):
+ if row == self.view.getImBoxRow() and col == 1:
+ self.view.changedHideUnTick(self.view.getImBox(),self.view.getImBoxRow()+1)
+ elif row == self.view.getShiftBoxRow() and col == 1:
+ self.view.changed(self.view.getShiftBox(),self.view.getShiftBoxRow()+1)
+
+ def handleButton(self):
+ inputs = self.get_FFT_input()
+ alg = mantid.AlgorithmManager.create("FFT")
+ alg.initialize()
+ alg.setChild(False)
+ for name,value in iteritems(inputs):
+ alg.setProperty(name,value)
+ alg.execute()
+ ws = alg.getPropertyValue("OutputWorkspace")
+ if mantid.AnalysisDataService.doesExist("FFTMuon"):
+ FFTMuon = mantid.AnalysisDataService.retrieve("FFTMuon")
+ FFTMuon.add(ws)
+ else:
+ FFTMuon = mantid.GroupWorkspaces(InputWorkspaces=ws)
+
+ def get_FFT_input(self):
+ inputs=self.view.initFFTInput()
+ if self.view.isRaw():
+ self.view.addRaw(inputs,"InputWorkspace")
+ if self.view.isAutoShift():
+ inputs["AutoShift"] = True
+ else:
+ self.view.addFFTShift(inputs)
+ if self.view.isComplex():
+ self.view.addFFTComplex(inputs)
+ if self.view.isRaw():
+ self.view.addRaw(inputs,"InputImagWorkspace")
+ return inputs
diff --git a/scripts/Muon/FFT_view.py b/scripts/Muon/FFT_view.py
new file mode 100644
index 0000000000000000000000000000000000000000..e0374875fd3da835bf26faecc00bfc9fb501f6fe
--- /dev/null
+++ b/scripts/Muon/FFT_view.py
@@ -0,0 +1,120 @@
+from __future__ import (absolute_import, division, print_function)
+
+from PyQt4 import QtCore, QtGui
+
+from Muon import table_utils
+
+
+class FFTView(QtGui.QWidget):
+ # signals
+ buttonSignal = QtCore.pyqtSignal()
+ tableClickSignal = QtCore.pyqtSignal(object,object)
+
+ def __init__(self, parent=None):
+ super(FFTView, self).__init__(parent)
+ self.grid = QtGui.QGridLayout(self)
+ self.table = QtGui.QTableWidget(self)
+
+ #make table
+ self.table.resize(800, 800)
+ self.table.setRowCount(6)
+ self.table.setColumnCount(2)
+ self.table.setColumnWidth(0,300)
+ self.table.setColumnWidth(1,300)
+
+ self.table.setHorizontalHeaderLabels(("FFT Property;Value").split(";"))
+
+ # populate table
+ options=['test']
+
+ table_utils.setRowName(self.table,0,"Workspace")
+ self.ws= table_utils.addComboToTable(self.table,0,options)
+ self.Im_box_row = 1
+ table_utils.setRowName(self.table,self.Im_box_row,"Imaginary Data")
+ self.Im_box = table_utils.addCheckBoxToTable(self.table,True,self.Im_box_row)
+
+ table_utils.setRowName(self.table,2,"Imaginary Workspace")
+ self.Im_ws = table_utils.addComboToTable(self.table,2,options)
+
+ self.shift_box_row = 3
+ table_utils.setRowName(self.table,self.shift_box_row,"Auto shift")
+ self.shift_box = table_utils.addCheckBoxToTable(self.table,True,self.shift_box_row)
+
+ table_utils.setRowName(self.table,4,"Shift")
+ self.shift = table_utils.addDoubleToTable(self.table,0.0,4)
+ self.table.hideRow(4)
+
+ table_utils.setRowName(self.table,5,"Use Raw data")
+ self.Raw_box = table_utils.addCheckBoxToTable(self.table,True,5)
+ #make button
+ self.button = QtGui.QPushButton('Calculate FFT', self)
+ self.button.setStyleSheet("background-color:lightgrey")
+ #connects
+ self.table.cellClicked.connect(self.tableClick)
+ self.button.clicked.connect(self.buttonClick)
+ # add to layout
+ self.grid.addWidget(self.table)
+ self.grid.addWidget(self.button)
+
+ # add data to view
+ def addItems(self,options):
+ self.ws.clear()
+ self.ws.addItems(options)
+ self.Im_ws.clear()
+ self.Im_ws.addItems(options)
+
+ # connect signals
+ def tableClick(self,row,col):
+ self.tableClickSignal.emit(row,col)
+
+ def buttonClick(self):
+ self.buttonSignal.emit()
+
+ #functions
+ def changed(self,box,row ):
+ self.table.setRowHidden(row,box.checkState() == QtCore.Qt.Checked)
+
+ def changedHideUnTick(self,box,row ):
+ self.table.setRowHidden(row, box.checkState() != QtCore.Qt.Checked)
+
+ def initFFTInput(self):
+ inputs={}
+ inputs['InputWorkspace']=str( self.ws.currentText()).replace(";","; ")
+ inputs['Real']= 0 # always zero
+ out=str( self.ws.currentText()).replace(";","; ")
+ inputs['OutputWorkspace']=out+";FFT"
+ inputs["AcceptXRoundingErrors"]=True
+ return inputs
+
+ def addFFTComplex(self,inputs):
+ inputs["InputImagWorkspace"]=str( self.Im_ws.currentText()).replace(";","; ")
+ inputs["Imaginary"] = 0 #always zero
+
+ def addFFTShift(self,inputs):
+ inputs['AutoShift'] =False
+ inputs['Shift'] = float(self.shift.text())
+
+ def addRaw(self,inputs,key):
+ inputs[key] += "_Raw"
+
+ # get methods
+ def isAutoShift(self):
+ return self.shift_box.checkState() == QtCore.Qt.Checked
+
+ def isComplex(self):
+ return self.Im_box.checkState() == QtCore.Qt.Checked
+
+ def isRaw(self):
+ return self.Raw_box.checkState() == QtCore.Qt.Checked
+
+ def getImBoxRow(self):
+ return self.Im_box_row
+
+ def getShiftBoxRow(self):
+ return self.shift_box_row
+
+ def getImBox(self):
+ return self.Im_box
+
+ def getShiftBox(self):
+ return self.shift_box
diff --git a/scripts/Muon/__init__.py b/scripts/Muon/__init__.py
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/scripts/Muon/table_utils.py b/scripts/Muon/table_utils.py
new file mode 100644
index 0000000000000000000000000000000000000000..f4a236023429442763ff79f7c75423e2ce38f5fc
--- /dev/null
+++ b/scripts/Muon/table_utils.py
@@ -0,0 +1,38 @@
+from __future__ import (absolute_import, division, print_function)
+from PyQt4 import QtCore, QtGui
+
+"""
+This module contains the methods for
+adding information to tables.
+"""
+
+
+def setRowName(table,row,name):
+ text = QtGui.QTableWidgetItem((name))
+ text.setFlags(QtCore.Qt.ItemIsEnabled)
+ table.setItem(row,0, text)
+
+
+def addComboToTable(table,row,options):
+ combo=QtGui.QComboBox()
+ combo.addItems(options)
+ table.setCellWidget(row,1,combo)
+ return combo
+
+
+def addDoubleToTable(table,value,row):
+ numberWidget = QtGui.QTableWidgetItem(str(value))
+ table.setItem(row,1, numberWidget)
+ return numberWidget
+
+
+def addCheckBoxToTable(table,state,row):
+ box = QtGui.QTableWidgetItem()
+ box.setFlags(QtCore.Qt.ItemIsUserCheckable |QtCore.Qt.ItemIsEnabled)
+ if state:
+ box.setCheckState(QtCore.Qt.Checked)
+ else:
+ box.setCheckState(QtCore.Qt.Unchecked)
+
+ table.setItem(row,1, box)
+ return box
diff --git a/scripts/SANS/sans/algorithm_detail/move_workspaces.py b/scripts/SANS/sans/algorithm_detail/move_workspaces.py
index 81c08e37692423ac7167e3af436d545c173d668e..8990235ca5c25521c44186a42ad62a694aa199e8 100644
--- a/scripts/SANS/sans/algorithm_detail/move_workspaces.py
+++ b/scripts/SANS/sans/algorithm_detail/move_workspaces.py
@@ -451,14 +451,15 @@ class SANSMoveSANS2D(SANSMove):
move_low_angle_bank_for_SANS2D_and_ZOOM(move_info, workspace, coordinates)
@staticmethod
- def _move_monitor_4(workspace, move_info):
- if move_info.monitor_4_offset != 0.0:
- monitor_4_name = move_info.monitor_names["4"]
+ def _move_monitor_n(workspace, move_info, monitor_spectrum_number):
+ if move_info.monitor_n_offset != 0.0:
+ monitor_spectrum_number_as_string = str(monitor_spectrum_number)
+ monitor_n_name = move_info.monitor_names[monitor_spectrum_number_as_string]
instrument = workspace.getInstrument()
- monitor_4 = instrument.getComponentByName(monitor_4_name)
+ monitor_n = instrument.getComponentByName(monitor_n_name)
- # Get position of monitor 4
- monitor_position = monitor_4.getPos()
+ # Get position of monitor n
+ monitor_position = monitor_n.getPos()
z_position_monitor = monitor_position.getZ()
# The location is relative to the rear-detector, get this position
@@ -468,12 +469,12 @@ class SANSMoveSANS2D(SANSMove):
detector_position = lab_detector_component.getPos()
z_position_detector = detector_position.getZ()
- monitor_4_offset = move_info.monitor_4_offset
- z_new = z_position_detector + monitor_4_offset
+ monitor_n_offset = move_info.monitor_n_offset
+ z_new = z_position_detector + monitor_n_offset
z_move = z_new - z_position_monitor
offset = {CanonicalCoordinates.Z: z_move}
- move_component(workspace, offset, monitor_4_name)
+ move_component(workspace, offset, monitor_n_name)
def do_move_initial(self, move_info, workspace, coordinates, component, is_transmission_workspace):
# For LOQ we only have to coordinates
@@ -491,8 +492,9 @@ class SANSMoveSANS2D(SANSMove):
# Move the sample holder
move_sample_holder(workspace, move_info.sample_offset, move_info.sample_offset_direction)
- # Move monitor 4
- self._move_monitor_4(workspace, move_info)
+ # Move monitor
+ monitor_spectrum_number = 4
+ self._move_monitor_n(workspace, move_info, monitor_spectrum_number=monitor_spectrum_number)
def do_move_with_elementary_displacement(self, move_info, workspace, coordinates, component):
# For LOQ we only have to coordinates
diff --git a/scripts/SANS/sans/gui_logic/gui_common.py b/scripts/SANS/sans/gui_logic/gui_common.py
index 5ff232601326771a28bb8ab0ef2f399d138abafb..b9ab0fe69cae6efbe66c606472aba7ad6c11fafa 100644
--- a/scripts/SANS/sans/gui_logic/gui_common.py
+++ b/scripts/SANS/sans/gui_logic/gui_common.py
@@ -1,13 +1,28 @@
from sans.common.enums import SANSInstrument, ISISReductionMode
-
+from PyQt4 import QtGui, QtCore
+import os
# ----------------------------------------------------------------------------------------------------------------------
# Option column globals
# ----------------------------------------------------------------------------------------------------------------------
-OPTIONS_INDEX = 7
+SAMPLE_SCATTER_INDEX = 0
+SAMPLE_SCATTER_PERIOD_INDEX = 1
+SAMPLE_TRANSMISSION_INDEX = 2
+SAMPLE_TRANSMISSION_PERIOD_INDEX = 3
+SAMPLE_DIRECT_INDEX = 4
+SAMPLE_DIRECT_PERIOD_INDEX = 5
+CAN_SCATTER_INDEX = 6
+CAN_SCATTER_PERIOD_INDEX = 7
+CAN_TRANSMISSION_INDEX = 8
+CAN_TRANSMISSION_PERIOD_INDEX = 9
+CAN_DIRECT_INDEX = 10
+CAN_DIRECT_PERIOD_INDEX = 11
+OUTPUT_NAME_INDEX = 12
+OPTIONS_INDEX = 13
+HIDDEN_OPTIONS_INDEX = 14
+
OPTIONS_SEPARATOR = ","
OPTIONS_EQUAL = "="
-HIDDEN_OPTIONS_INDEX = 8
# ----------------------------------------------------------------------------------------------------------------------
# Other Globals
@@ -20,11 +35,17 @@ LOQ_HAB = "Hab"
LARMOR_LAB = "DetectorBench"
+ZOOM_LAB = "rear-detector"
+
DEFAULT_LAB = ISISReductionMode.to_string(ISISReductionMode.LAB)
DEFAULT_HAB = ISISReductionMode.to_string(ISISReductionMode.HAB)
MERGED = "Merged"
ALL = "All"
+GENERIC_SETTINGS = "Mantid/ISISSANS"
+
+JSON_SUFFIX = ".json"
+
def get_reduction_mode_strings_for_gui(instrument=None):
if instrument is SANSInstrument.SANS2D:
@@ -33,6 +54,8 @@ def get_reduction_mode_strings_for_gui(instrument=None):
return [LOQ_LAB, LOQ_HAB, MERGED, ALL]
elif instrument is SANSInstrument.LARMOR:
return [LARMOR_LAB]
+ elif instrument is SANSInstrument.ZOOM:
+ return [ZOOM_LAB]
else:
return [DEFAULT_LAB, DEFAULT_HAB, MERGED, ALL]
@@ -48,6 +71,8 @@ def get_reduction_selection(instrument):
ISISReductionMode.HAB: LOQ_HAB})
elif instrument is SANSInstrument.LARMOR:
selection = {ISISReductionMode.LAB: LARMOR_LAB}
+ elif instrument is SANSInstrument.ZOOM:
+ selection = {ISISReductionMode.LAB: ZOOM_LAB}
else:
selection.update({ISISReductionMode.LAB: DEFAULT_LAB,
ISISReductionMode.HAB: DEFAULT_HAB})
@@ -67,9 +92,34 @@ def get_reduction_mode_from_gui_selection(gui_selection):
return ISISReductionMode.Merged
elif gui_selection == ALL:
return ISISReductionMode.All
- elif gui_selection == SANS2D_LAB or gui_selection == LOQ_LAB or gui_selection == LARMOR_LAB or gui_selection == DEFAULT_LAB: # noqa
+ elif gui_selection == SANS2D_LAB or gui_selection == LOQ_LAB or gui_selection == LARMOR_LAB or gui_selection == ZOOM_LAB or gui_selection == DEFAULT_LAB: # noqa
return ISISReductionMode.LAB
elif gui_selection == SANS2D_HAB or gui_selection == LOQ_HAB:
return ISISReductionMode.HAB
else:
raise RuntimeError("Reduction mode selection is not valid.")
+
+
+def load_file(line_edit_field, filter_for_dialog, q_settings_group_key, q_settings_key, func):
+ # Get the last location of the user file
+ settings = QtCore.QSettings()
+ settings.beginGroup(q_settings_group_key)
+ last_path = settings.value(q_settings_key, "", type=str)
+ settings.endGroup()
+
+ # Open the dialog
+ open_file_dialog(line_edit_field, filter_for_dialog, last_path)
+
+ # Save the new location
+ new_path, _ = os.path.split(func())
+ if new_path:
+ settings = QtCore.QSettings()
+ settings.beginGroup(q_settings_group_key)
+ settings.setValue(q_settings_key, new_path)
+ settings.endGroup()
+
+
+def open_file_dialog(line_edit, filter_text, directory):
+ file_name = QtGui.QFileDialog.getOpenFileName(None, 'Open', directory, filter_text)
+ if file_name:
+ line_edit.setText(file_name)
diff --git a/scripts/SANS/sans/gui_logic/models/state_gui_model.py b/scripts/SANS/sans/gui_logic/models/state_gui_model.py
index 93f1f17859de4ece0ca37938449d093900e7d115..9444b2b513926b645a5ee94cc1422371554bd0c3 100644
--- a/scripts/SANS/sans/gui_logic/models/state_gui_model.py
+++ b/scripts/SANS/sans/gui_logic/models/state_gui_model.py
@@ -7,7 +7,7 @@ are not available in the model associated with the data table.
from __future__ import (absolute_import, division, print_function)
from sans.user_file.settings_tags import (OtherId, DetectorId, LimitsId, SetId, SampleId, MonId, TransId, GravityId,
- QResolutionId, FitId, event_binning_string_values, set_scales_entry,
+ QResolutionId, FitId, MaskId, event_binning_string_values, set_scales_entry,
monitor_spectrum, simple_range, monitor_file, det_fit_range,
q_rebin_values, fit_general, mask_angle_entry, range_entry)
from sans.common.enums import (ReductionDimensionality, ISISReductionMode, RangeStepType, SaveType,
@@ -500,12 +500,12 @@ class StateGuiModel(object):
self.set_simple_element(element_id=TransId.spec, value=value)
@property
- def transmission_m4_shift(self):
+ def transmission_mn_shift(self):
# Note that this is actually part of the move operation, but is conceptually part of transmission
return self.get_simple_element(element_id=TransId.spec_shift, default_value="")
- @transmission_m4_shift.setter
- def transmission_m4_shift(self, value):
+ @transmission_mn_shift.setter
+ def transmission_mn_shift(self, value):
# Note that this is actually part of the move operation, but is conceptually part of transmission
self.set_simple_element(element_id=TransId.spec_shift, value=value)
@@ -967,6 +967,24 @@ class StateGuiModel(object):
def radius_limit_max(self, value):
self._set_radius_limit(max_value=value)
+ # ------------------------------------------------------------------------------------------------------------------
+ # Mask files
+ # ------------------------------------------------------------------------------------------------------------------
+ @property
+ def mask_files(self):
+ if MaskId.file in self._user_file_items:
+ return self._user_file_items[MaskId.file]
+ return []
+
+ @mask_files.setter
+ def mask_files(self, value):
+ if value is None:
+ return
+ if MaskId.file in self._user_file_items:
+ del self._user_file_items[MaskId.file]
+ new_state_entries = {MaskId.file: value}
+ self._user_file_items.update(new_state_entries)
+
# ------------------------------------------------------------------------------------------------------------------
# Output name
# ------------------------------------------------------------------------------------------------------------------
diff --git a/scripts/SANS/sans/gui_logic/models/table_model.py b/scripts/SANS/sans/gui_logic/models/table_model.py
index 0167984dbe74ac368d1e621e72edf3e945cbd7b2..2c4df2ffcba73c2f9df454e3aad103a4c96e787b 100644
--- a/scripts/SANS/sans/gui_logic/models/table_model.py
+++ b/scripts/SANS/sans/gui_logic/models/table_model.py
@@ -57,18 +57,28 @@ class TableModel(object):
class TableIndexModel(object):
- def __init__(self, index, sample_scatter, sample_transmission, sample_direct,
- can_scatter, can_transmission, can_direct, output_name="",
- options_column_string=""):
+ def __init__(self, index, sample_scatter, sample_scatter_period,
+ sample_transmission, sample_transmission_period,
+ sample_direct, sample_direct_period,
+ can_scatter, can_scatter_period,
+ can_transmission, can_transmission_period,
+ can_direct, can_direct_period,
+ output_name="", options_column_string=""):
super(TableIndexModel, self).__init__()
self.index = index
self.sample_scatter = sample_scatter
+ self.sample_scatter_period = sample_scatter_period
self.sample_transmission = sample_transmission
+ self.sample_transmission_period = sample_transmission_period
self.sample_direct = sample_direct
+ self.sample_direct_period = sample_direct_period
self.can_scatter = can_scatter
+ self.can_scatter_period = can_scatter_period
self.can_transmission = can_transmission
+ self.can_transmission_period = can_transmission_period
self.can_direct = can_direct
+ self.can_direct_period = can_direct_period
self.user_file = ""
self.output_name = output_name
diff --git a/scripts/SANS/sans/gui_logic/presenter/gui_state_director.py b/scripts/SANS/sans/gui_logic/presenter/gui_state_director.py
index aa21875931fc42e23d422939f49699c651a66fc7..2cc513fa8923d5bdf860fd0f6b9c06b05ded92d2 100644
--- a/scripts/SANS/sans/gui_logic/presenter/gui_state_director.py
+++ b/scripts/SANS/sans/gui_logic/presenter/gui_state_director.py
@@ -25,11 +25,17 @@ class GuiStateDirector(object):
data_builder = get_data_builder(self._facility)
self._set_data_entry(data_builder.set_sample_scatter, table_index_model.sample_scatter)
+ self._set_data_period_entry(data_builder.set_sample_scatter_period, table_index_model.sample_scatter_period)
self._set_data_entry(data_builder.set_sample_transmission, table_index_model.sample_transmission)
+ self._set_data_period_entry(data_builder.set_sample_transmission_period, table_index_model.sample_transmission_period) # noqa
self._set_data_entry(data_builder.set_sample_direct, table_index_model.sample_direct)
+ self._set_data_period_entry(data_builder.set_sample_direct_period, table_index_model.sample_direct_period)
self._set_data_entry(data_builder.set_can_scatter, table_index_model.can_scatter)
+ self._set_data_period_entry(data_builder.set_can_scatter_period, table_index_model.can_scatter_period)
self._set_data_entry(data_builder.set_can_transmission, table_index_model.can_transmission)
+ self._set_data_period_entry(data_builder.set_can_transmission_period, table_index_model.can_transmission_period)
self._set_data_entry(data_builder.set_can_direct, table_index_model.can_direct)
+ self._set_data_period_entry(data_builder.set_can_direct_period, table_index_model.can_direct_period)
data = data_builder.build()
@@ -55,6 +61,17 @@ class GuiStateDirector(object):
if entry:
func(entry)
+ @staticmethod
+ def _set_data_period_entry(func, entry):
+ if entry:
+ # Ensure that it is convertible to an integer and that it is larger than 0
+ try:
+ entry_as_integer = int(entry)
+ if entry_as_integer > 0:
+ func(entry_as_integer)
+ except ValueError: # noqa
+ pass
+
@staticmethod
def _apply_column_options_to_state(options_column_model, state_gui_model):
"""
diff --git a/scripts/SANS/sans/gui_logic/presenter/main_presenter.py b/scripts/SANS/sans/gui_logic/presenter/main_presenter.py
index 89f0e96d68f27559a38bcd449fc8458b03f16892..517634ab49aa6338bc8f9d9e210afc5c26bb29d3 100644
--- a/scripts/SANS/sans/gui_logic/presenter/main_presenter.py
+++ b/scripts/SANS/sans/gui_logic/presenter/main_presenter.py
@@ -18,7 +18,7 @@ class PresenterEnum(object):
pass
-class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
+class MainPresenter(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter):
"""
Comments below are from Raquel:
@@ -36,7 +36,7 @@ class MainPresenter(MantidQt.MantidWidgets.DataProcessorMainPresenter):
"""
def __init__(self, facility):
- super(MantidQt.MantidWidgets.DataProcessorMainPresenter, self).__init__()
+ super(MantidQt.MantidWidgets.DataProcessor.DataProcessorMainPresenter, self).__init__()
self._view = None
diff --git a/scripts/SANS/sans/gui_logic/presenter/masking_table_presenter.py b/scripts/SANS/sans/gui_logic/presenter/masking_table_presenter.py
index b873431581384f4f9b24196b506cc534ed55fceb..fc3bc368f3a961dc53f6528d2fb0ed9d51742149 100644
--- a/scripts/SANS/sans/gui_logic/presenter/masking_table_presenter.py
+++ b/scripts/SANS/sans/gui_logic/presenter/masking_table_presenter.py
@@ -5,7 +5,9 @@ from __future__ import (absolute_import, division, print_function)
from collections import namedtuple
import copy
+from mantid.kernel import Logger
from mantid.api import (AnalysisDataService)
+
try:
import mantidplot
except ImportError:
@@ -15,11 +17,101 @@ from ui.sans_isis.masking_table import MaskingTable
from sans.common.enums import DetectorType
from sans.common.constants import EMPTY_NAME
from sans.common.general_functions import create_unmanaged_algorithm
-
+from ui.sans_isis.work_handler import WorkHandler
masking_information = namedtuple("masking_information", "first, second, third")
+def load_and_mask_workspace(state, workspace_name):
+ workspace_to_mask = load_workspace(state, workspace_name)
+ return mask_workspace(state, workspace_name, workspace_to_mask)
+
+
+def load_workspace(state, workspace_name):
+ prepare_to_load_scatter_sample_only(state)
+ handle_multi_period_data(state)
+
+ serialized_state = state.property_manager
+
+ workspace = perform_load(serialized_state)
+ perform_move(serialized_state, workspace)
+ store_in_ads_as_hidden(workspace_name, workspace)
+ return workspace
+
+
+def mask_workspace(state, workspace_name, workspace_to_mask):
+ serialized_state = state.property_manager
+ masking_algorithm = create_masking_algorithm(serialized_state, workspace_to_mask)
+
+ detectors = [DetectorType.to_string(DetectorType.LAB), DetectorType.to_string(DetectorType.HAB)]
+ for detector in detectors:
+ masking_algorithm.setProperty("Component", detector)
+ masking_algorithm.execute()
+
+ return masking_algorithm.getProperty("Workspace").value
+
+
+def prepare_to_load_scatter_sample_only(state):
+ # We only want to load the data for the scatter sample. Hence we set everything else to an empty string.
+ # This is ok since we are changing a copy of the state which is not being used for the actual data reduction.
+ state.data.sample_transmission = ""
+ state.data.sample_direct = ""
+ state.data.can_scatter = ""
+ state.data.can_transmission = ""
+ state.data.can_direct = ""
+
+
+def handle_multi_period_data(state):
+ # If the data is multi-period data, then we select only the first period.
+ if state.data.sample_scatter_is_multi_period and state.data.sample_scatter_period == 0:
+ state.data.sample_scatter_period = 1
+
+
+def perform_load(serialized_state):
+ load_algorithm = create_load_algorithm(serialized_state)
+ load_algorithm.execute()
+ return load_algorithm.getProperty("SampleScatterWorkspace").value
+
+
+def perform_move(serialized_state, workspace):
+ create_move_algorithm(serialized_state, workspace).execute()
+
+
+def store_in_ads_as_hidden(workspace_name, workspace):
+ AnalysisDataService.addOrReplace(workspace_name, workspace)
+
+
+def create_masking_algorithm(serialized_state, workspace_to_mask):
+ mask_name = "SANSMaskWorkspace"
+ mask_options = {"SANSState": serialized_state,
+ "Workspace": workspace_to_mask}
+ return create_unmanaged_algorithm(mask_name, **mask_options)
+
+
+def create_load_algorithm(serialized_state):
+ load_name = "SANSLoad"
+ load_options = {"SANSState": serialized_state,
+ "PublishToCache": True,
+ "UseCached": True,
+ "SampleScatterWorkspace": EMPTY_NAME,
+ "SampleScatterMonitorWorkspace": EMPTY_NAME,
+ "SampleTransmissionWorkspace": EMPTY_NAME,
+ "SampleDirectWorkspace": EMPTY_NAME,
+ "CanScatterWorkspace": EMPTY_NAME,
+ "CanScatterMonitorWorkspace": EMPTY_NAME,
+ "CanTransmissionWorkspace": EMPTY_NAME,
+ "CanDirectWorkspace": EMPTY_NAME}
+ return create_unmanaged_algorithm(load_name, **load_options)
+
+
+def create_move_algorithm(serialized_state, workspace_to_move):
+ move_name = "SANSMove"
+ move_options = {"SANSState": serialized_state,
+ "Workspace": workspace_to_move,
+ "MoveType": "InitialMove"}
+ return create_unmanaged_algorithm(move_name, **move_options)
+
+
class MaskingTablePresenter(object):
DISPLAY_WORKSPACE_NAME = "__sans_mask_display_dummy_workspace"
@@ -37,10 +129,23 @@ class MaskingTablePresenter(object):
def on_display(self):
self._presenter.on_display()
+ class DisplayMaskListener(WorkHandler.WorkListener):
+ def __init__(self, presenter):
+ super(MaskingTablePresenter.DisplayMaskListener, self).__init__()
+ self._presenter = presenter
+
+ def on_processing_finished(self, result):
+ self._presenter.on_processing_finished_masking_display(result)
+
+ def on_processing_error(self, error):
+ self._presenter.on_processing_error_masking_display(error)
+
def __init__(self, parent_presenter):
super(MaskingTablePresenter, self).__init__()
self._view = None
self._parent_presenter = parent_presenter
+ self._work_handler = WorkHandler()
+ self._logger = Logger("SANS")
def on_row_changed(self):
row_index = self._view.get_current_row()
@@ -49,20 +154,35 @@ class MaskingTablePresenter(object):
self.display_masking_information(state)
def on_display(self):
- # TODO: This will run synchronously and block the GUI, therefore it is not enabled at the moment. Once,
- # we agree on a async framework which we can use in combination with Mantid in Python, we will have to
- # disable this feature. Once it is solved, it is easy to hook up.
-
- # Load the sample workspace
+ # Get the state information for the selected row.
row_index = self._view.get_current_row()
state = self.get_state(row_index)
- workspace_to_mask = self._load_the_workspace_to_mask(state)
- # Apply the mask
- self._mask_workspace(state, workspace_to_mask)
+ if not state:
+ self._logger.information("You can only show a masked workspace if a user file has been loaded and there"
+ "valid sample scatter entry has been provided in the selected row.")
+ return
+
+ # Disable the button
+ self._view.set_display_mask_button_to_processing()
+
+ # Run the task
+ listener = MaskingTablePresenter.DisplayMaskListener(self)
+ state_copy = copy.copy(state)
+ self._work_handler.process(listener, load_and_mask_workspace, state_copy, self.DISPLAY_WORKSPACE_NAME)
+
+ def on_processing_finished_masking_display(self, result):
+ # Enable button
+ self._view.set_display_mask_button_to_normal()
- # Display
- self._display(workspace_to_mask)
+ # Display masked workspace
+ self._display(result)
+
+ def on_processing_error_masking_display(self, error):
+ self._logger.warning("There has been an error. See more: {}".format(error))
+
+ def on_processing_error(self, error):
+ pass
def on_update_rows(self):
"""
@@ -326,65 +446,6 @@ class MaskingTablePresenter(object):
table_entries = self.get_masking_information(state)
self._view.set_table(table_entries)
- def _load_the_workspace_to_mask(self, state):
- # Make a deepcopy of the state
- state_copy = copy.deepcopy(state)
-
- # We only want to load the data for the scatter sample. Hence we set everything else to an empty string.
- # This is ok since we are changing a copy of the state which is not being used for the actual data reduction.
- state_copy.data.sample_transmission = ""
- state_copy.data.sample_direct = ""
- state_copy.data.can_scatter = ""
- state_copy.data.can_transmission = ""
- state_copy.data.can_direct = ""
-
- # If the data is multi-period data, then we select only the first period.
- if state_copy.data.sample_scatter_is_multi_period and state_copy.data.sample_scatter_period == 0:
- state_copy.data.sample_scatter_period = 1
-
- # Load the workspace
- serialized_state = state_copy.property_manager
- load_name = "SANSLoad"
- load_options = {"SANSState": serialized_state,
- "PublishToCache": False,
- "UseCached": True,
- "SampleScatterWorkspace": EMPTY_NAME,
- "SampleScatterMonitorWorkspace": EMPTY_NAME,
- "SampleTransmissionWorkspace": EMPTY_NAME,
- "SampleDirectWorkspace": EMPTY_NAME,
- "CanScatterWorkspace": EMPTY_NAME,
- "CanScatterMonitorWorkspace": EMPTY_NAME,
- "CanTransmissionWorkspace": EMPTY_NAME,
- "CanDirectWorkspace": EMPTY_NAME}
- load_alg = create_unmanaged_algorithm(load_name, **load_options)
- load_alg.execute()
- workspace_to_mask = load_alg.getProperty("SampleScatterWorkspace").value
-
- # Perform an initial move on the workspace
- move_name = "SANSMove"
- move_options = {"SANSState": serialized_state,
- "Workspace": workspace_to_mask,
- "MoveType": "InitialMove"}
- move_alg = create_unmanaged_algorithm(move_name, **move_options)
- move_alg.execute()
-
- # Put the workspace onto the ADS as a hidden workspace
- AnalysisDataService.addOrReplace(self.DISPLAY_WORKSPACE_NAME, workspace_to_mask)
- return workspace_to_mask
-
- @staticmethod
- def _mask_workspace(state, workspace):
- serialized_state = state.property_manager
- mask_name = "SANSMaskWorkspace"
- mask_options = {"SANSState": serialized_state,
- "Workspace": workspace}
- mask_alg = create_unmanaged_algorithm(mask_name, **mask_options)
-
- detectors = [DetectorType.to_string(DetectorType.LAB), DetectorType.to_string(DetectorType.HAB)]
- for detector in detectors:
- mask_alg.setProperty("Component", detector)
- mask_alg.execute()
-
@staticmethod
def _display(masked_workspace):
if masked_workspace and AnalysisDataService.doesExist(masked_workspace.name()):
diff --git a/scripts/SANS/sans/gui_logic/presenter/run_tab_presenter.py b/scripts/SANS/sans/gui_logic/presenter/run_tab_presenter.py
index d36f7bb491d1c51cb17f345e9e1a263b1d3ecddf..fac1e55514a595baf008f231fe2f5eb944c1ebc0 100644
--- a/scripts/SANS/sans/gui_logic/presenter/run_tab_presenter.py
+++ b/scripts/SANS/sans/gui_logic/presenter/run_tab_presenter.py
@@ -22,12 +22,20 @@ from sans.gui_logic.presenter.settings_diagnostic_presenter import (SettingsDiag
from sans.gui_logic.presenter.masking_table_presenter import (MaskingTablePresenter)
from sans.gui_logic.sans_data_processor_gui_algorithm import SANS_DUMMY_INPUT_ALGORITHM_PROPERTY_NAME
from sans.gui_logic.presenter.property_manager_service import PropertyManagerService
-from sans.gui_logic.gui_common import (get_reduction_mode_strings_for_gui, OPTIONS_SEPARATOR, OPTIONS_INDEX,
+from sans.gui_logic.gui_common import (get_reduction_mode_strings_for_gui,
+ SAMPLE_SCATTER_INDEX, SAMPLE_SCATTER_PERIOD_INDEX,
+ SAMPLE_TRANSMISSION_INDEX, SAMPLE_TRANSMISSION_PERIOD_INDEX,
+ SAMPLE_DIRECT_INDEX, SAMPLE_DIRECT_PERIOD_INDEX,
+ CAN_SCATTER_INDEX, CAN_SCATTER_PERIOD_INDEX,
+ CAN_TRANSMISSION_INDEX, CAN_TRANSMISSION_PERIOD_INDEX,
+ CAN_DIRECT_INDEX, CAN_DIRECT_PERIOD_INDEX, OUTPUT_NAME_INDEX,
+ OPTIONS_SEPARATOR, OPTIONS_INDEX,
OPTIONS_EQUAL, HIDDEN_OPTIONS_INDEX)
from sans.common.enums import (BatchReductionEntry, OutputMode, SANSInstrument, RangeStepType, SampleShape, FitType)
from sans.common.file_information import (SANSFileInformationFactory)
from sans.user_file.user_file_reader import UserFileReader
from sans.command_interface.batch_csv_file_parser import BatchCsvParser
+from sans.common.constants import ALL_PERIODS
class RunTabPresenter(object):
@@ -39,6 +47,9 @@ class RunTabPresenter(object):
def on_user_file_load(self):
self._presenter.on_user_file_load()
+ def on_mask_file_add(self):
+ self._presenter.on_mask_file_add()
+
def on_batch_file_load(self):
self._presenter.on_batch_file_load()
@@ -173,7 +184,8 @@ class RunTabPresenter(object):
self._settings_diagnostic_tab_presenter.on_update_rows()
except Exception as e:
- self.sans_logger.error("Loading of the user file failed. See here for more details: {}".format(str(e)))
+ self.sans_logger.error("Loading of the user file failed. Ensure that the path to your files has been added "
+ "to the Mantid search directories! See here for more details: {}".format(str(e)))
def on_batch_file_load(self):
"""
@@ -209,7 +221,8 @@ class RunTabPresenter(object):
self._settings_diagnostic_tab_presenter.on_update_rows()
except RuntimeError as e:
- self.sans_logger.error("Loading of the batch file failed. See here for more details: {}".format(str(e)))
+ self.sans_logger.error("Loading of the batch file failed. Ensure that the path to your files has been added"
+ " to the Mantid search directories! See here for more details: {}".format(str(e)))
def on_processed_clicked(self):
"""
@@ -243,6 +256,27 @@ class RunTabPresenter(object):
def on_processing_finished(self):
self._remove_dummy_workspaces_and_row_index()
+ def on_mask_file_add(self):
+ """
+ We get the added mask file name and add it to the list of masks
+ """
+ new_mask_file = self._view.get_mask_file()
+ if not new_mask_file:
+ return
+ new_mask_file_full_path = FileFinder.getFullPath(new_mask_file)
+ if not new_mask_file_full_path:
+ return
+
+ # Add the new mask file to state model
+ mask_files = self._state_model.mask_files
+
+ mask_files.append(new_mask_file)
+ self._state_model.mask_files = mask_files
+
+ # Make sure that the sub-presenters are up to date with this change
+ self._masking_table_presenter.on_update_rows()
+ self._settings_diagnostic_tab_presenter.on_update_rows()
+
def _add_to_hidden_options(self, row, property_name, property_value):
"""
Adds a new property to the Hidden Options column
@@ -444,7 +478,7 @@ class RunTabPresenter(object):
self._set_on_view("transmission_mask_files")
self._set_on_view("transmission_radius")
self._set_on_view("transmission_monitor")
- self._set_on_view("transmission_m4_shift")
+ self._set_on_view("transmission_mn_shift")
self._set_on_view_transmission_fit()
@@ -623,7 +657,7 @@ class RunTabPresenter(object):
self._set_on_state_model("transmission_mask_files", state_model)
self._set_on_state_model("transmission_radius", state_model)
self._set_on_state_model("transmission_monitor", state_model)
- self._set_on_state_model("transmission_m4_shift", state_model)
+ self._set_on_state_model("transmission_mn_shift", state_model)
self._set_on_state_model_transmission_fit(state_model)
@@ -743,21 +777,39 @@ class RunTabPresenter(object):
# 2. Iterate over each row, create a table row model and insert it
number_of_rows = self._view.get_number_of_rows()
for row in range(number_of_rows):
- sample_scatter = self._view.get_cell(row=row, column=0, convert_to=str)
- sample_transmission = self._view.get_cell(row=row, column=1, convert_to=str)
- sample_direct = self._view.get_cell(row=row, column=2, convert_to=str)
- can_scatter = self._view.get_cell(row=row, column=3, convert_to=str)
- can_transmission = self._view.get_cell(row=row, column=4, convert_to=str)
- can_direct = self._view.get_cell(row=row, column=5, convert_to=str)
- output_name = self._view.get_cell(row=row, column=6, convert_to=str)
+ sample_scatter = self._view.get_cell(row=row, column=SAMPLE_SCATTER_INDEX, convert_to=str)
+ sample_scatter_period = self._view.get_cell(row=row, column=SAMPLE_SCATTER_PERIOD_INDEX, convert_to=str)
+ sample_transmission = self._view.get_cell(row=row, column=SAMPLE_TRANSMISSION_INDEX, convert_to=str)
+ sample_transmission_period = self._view.get_cell(row=row, column=SAMPLE_TRANSMISSION_PERIOD_INDEX, convert_to=str) # noqa
+ sample_direct = self._view.get_cell(row=row, column=SAMPLE_DIRECT_INDEX, convert_to=str)
+ sample_direct_period = self._view.get_cell(row=row, column=SAMPLE_DIRECT_PERIOD_INDEX, convert_to=str)
+ can_scatter = self._view.get_cell(row=row, column=CAN_SCATTER_INDEX, convert_to=str)
+ can_scatter_period = self._view.get_cell(row=row, column=CAN_SCATTER_PERIOD_INDEX, convert_to=str)
+ can_transmission = self._view.get_cell(row=row, column=CAN_TRANSMISSION_INDEX, convert_to=str)
+ can_transmission_period = self._view.get_cell(row=row, column=CAN_TRANSMISSION_PERIOD_INDEX, convert_to=str)
+ can_direct = self._view.get_cell(row=row, column=CAN_DIRECT_INDEX, convert_to=str)
+ can_direct_period = self._view.get_cell(row=row, column=CAN_DIRECT_PERIOD_INDEX, convert_to=str)
+ output_name = self._view.get_cell(row=row, column=OUTPUT_NAME_INDEX, convert_to=str)
# Get the options string
# We don't have to add the hidden column here, since it only contains information for the SANS
# workflow to operate properly. It however does not contain information for the
options_string = self._get_options(row)
- table_index_model = TableIndexModel(row, sample_scatter, sample_transmission, sample_direct,
- can_scatter, can_transmission, can_direct, output_name=output_name,
+ table_index_model = TableIndexModel(index=row,
+ sample_scatter=sample_scatter,
+ sample_scatter_period=sample_scatter_period,
+ sample_transmission=sample_transmission,
+ sample_transmission_period=sample_transmission_period,
+ sample_direct=sample_direct,
+ sample_direct_period=sample_direct_period,
+ can_scatter=can_scatter,
+ can_scatter_period=can_scatter_period,
+ can_transmission=can_transmission,
+ can_transmission_period=can_transmission_period,
+ can_direct=can_direct,
+ can_direct_period=can_direct_period,
+ output_name=output_name,
options_column_string=options_string)
table_model.add_table_entry(row, table_index_model)
return table_model
@@ -786,9 +838,12 @@ class RunTabPresenter(object):
state = gui_state_director.create_state(row)
states.update({row: state})
except ValueError as e:
- self.sans_logger.error("There was a bad entry for row {}. See here for more details: {}".format(row, str(e))) # noqa
- raise RuntimeError("There was a bad entry for row {}. "
- "See here for more details: {}".format(row, str(e)))
+ self.sans_logger.error("There was a bad entry for row {}. Ensure that the path to your files has "
+ "been added to the Mantid search directories! See here for more "
+ "details: {}".format(row, str(e)))
+ raise RuntimeError("There was a bad entry for row {}. Ensure that the path to your files has "
+ "been added to the Mantid search directories! See here for more "
+ "details: {}".format(row, str(e)))
return states
def _populate_row_in_table(self, row):
@@ -801,24 +856,41 @@ class RunTabPresenter(object):
_element = _row[_tag]
return _element
+ def get_string_period(_tag):
+ return "" if _tag == ALL_PERIODS else str(_tag)
+
# 1. Pull out the entries
sample_scatter = get_string_entry(BatchReductionEntry.SampleScatter, row)
+ sample_scatter_period = get_string_entry(BatchReductionEntry.SampleScatterPeriod, row)
sample_transmission = get_string_entry(BatchReductionEntry.SampleTransmission, row)
+ sample_transmission_period = get_string_entry(BatchReductionEntry.SampleTransmissionPeriod, row)
sample_direct = get_string_entry(BatchReductionEntry.SampleDirect, row)
+ sample_direct_period = get_string_entry(BatchReductionEntry.SampleDirectPeriod, row)
can_scatter = get_string_entry(BatchReductionEntry.CanScatter, row)
+ can_scatter_period = get_string_entry(BatchReductionEntry.CanScatterPeriod, row)
can_transmission = get_string_entry(BatchReductionEntry.CanTransmission, row)
+ can_transmission_period = get_string_entry(BatchReductionEntry.CanScatterPeriod, row)
can_direct = get_string_entry(BatchReductionEntry.CanDirect, row)
+ can_direct_period = get_string_entry(BatchReductionEntry.CanDirectPeriod, row)
output_name = get_string_entry(BatchReductionEntry.Output, row)
# 2. Create entry that can be understood by table
- row_entry = "SampleScatter:{0},SampleTransmission:{1},SampleDirect:{2}," \
- "CanScatter:{3},CanTransmission:{4},CanDirect:{5},OutputName:{6}".format(sample_scatter,
- sample_transmission,
- sample_direct,
- can_scatter,
- can_transmission,
- can_direct,
- output_name)
+ row_entry = "SampleScatter:{},ssp:{},SampleTrans:{},stp:{},SampleDirect:{},sdp:{}," \
+ "CanScatter:{},csp:{},CanTrans:{},ctp:{}," \
+ "CanDirect:{},cdp:{},OutputName:{}".format(sample_scatter,
+ get_string_period(sample_scatter_period),
+ sample_transmission,
+ get_string_period(sample_transmission_period),
+ sample_direct,
+ get_string_period(sample_direct_period),
+ can_scatter,
+ get_string_period(can_scatter_period),
+ can_transmission,
+ get_string_period(can_transmission_period),
+ can_direct,
+ get_string_period(can_direct_period),
+ output_name)
+
self._view.add_row(row_entry)
# ------------------------------------------------------------------------------------------------------------------
diff --git a/scripts/SANS/sans/gui_logic/presenter/settings_diagnostic_presenter.py b/scripts/SANS/sans/gui_logic/presenter/settings_diagnostic_presenter.py
index 2280cc258d61d93aadc79e0b85b29c8bf7dacc65..8c48ba6b7662f1ad5ec026357f60884f1fa915b5 100644
--- a/scripts/SANS/sans/gui_logic/presenter/settings_diagnostic_presenter.py
+++ b/scripts/SANS/sans/gui_logic/presenter/settings_diagnostic_presenter.py
@@ -1,6 +1,14 @@
""" The settings diagnostic tab which visualizes the SANS state object. """
+from __future__ import (absolute_import, division, print_function)
+
+
+import os
+import json
+
+from mantid.kernel import Logger
from ui.sans_isis.settings_diagnostic_tab import SettingsDiagnosticTab
+from sans.gui_logic.gui_common import JSON_SUFFIX
class SettingsDiagnosticPresenter(object):
@@ -21,10 +29,15 @@ class SettingsDiagnosticPresenter(object):
def on_expand(self):
self._presenter.on_expand()
+ def on_save_state_to_file(self):
+ self._presenter.on_save_state()
+
def __init__(self, parent_presenter):
super(SettingsDiagnosticPresenter, self).__init__()
self._view = None
self._parent_presenter = parent_presenter
+ # Logger
+ self.gui_logger = Logger("SANS GUI LOGGER")
def on_collapse(self):
self._view.collapse()
@@ -83,3 +96,26 @@ class SettingsDiagnosticPresenter(object):
if state is not None:
state = state.property_manager
self._view.set_tree(state)
+
+ def on_save_state(self):
+ # Get the save location
+ save_location = self._view.get_save_location()
+ # Check if it exists
+ path_dir = os.path.dirname(save_location)
+ if not path_dir:
+ self.gui_logger.warning("The provided save location for the SANS state does not seem to exist. "
+ "Please provide a validate path")
+ return
+
+ file_name, _ = os.path.splitext(save_location)
+ full_file_path = file_name + JSON_SUFFIX
+
+ row_index = self._view.get_current_row()
+ state = self.get_state(row_index)
+ serialized_state = state.property_manager
+ with open(full_file_path, 'w') as f:
+ json.dump(serialized_state, f, sort_keys=True, indent=4)
+ self.gui_logger.information("The state for row {} has been saved to: {} ".format(row_index, full_file_path))
+
+ # Update the file name in the UI
+ self._view.set_save_location(full_file_path)
diff --git a/scripts/SANS/sans/gui_logic/sans_data_processor_gui_algorithm.py b/scripts/SANS/sans/gui_logic/sans_data_processor_gui_algorithm.py
index 595e82cc08bca94d96887ec7095d10d279bfd30f..18df3a5a8eeb347816a1ac630825d6565466c0b2 100644
--- a/scripts/SANS/sans/gui_logic/sans_data_processor_gui_algorithm.py
+++ b/scripts/SANS/sans/gui_logic/sans_data_processor_gui_algorithm.py
@@ -62,13 +62,27 @@ def create_properties():
default='',
prefix='',
property_type=str),
- algorithm_list_entry(column_name="SampleTransmission",
+ algorithm_list_entry(column_name="ssp",
+ algorithm_property="SampleScatterPeriod",
+ description='The sample scatter period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
+ algorithm_list_entry(column_name="SampleTrans",
algorithm_property="SampleTransmission",
description='The run number of the transmission sample',
show_value=False,
default='',
prefix='',
property_type=str),
+ algorithm_list_entry(column_name="stp",
+ algorithm_property="SampleTransmissionPeriod",
+ description='The sample transmission period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
algorithm_list_entry(column_name="SampleDirect",
algorithm_property="SampleDirect",
description='The run number of the direct sample',
@@ -76,6 +90,13 @@ def create_properties():
default='',
prefix='',
property_type=str),
+ algorithm_list_entry(column_name="sdp",
+ algorithm_property="SampleDirectPeriod",
+ description='The sample direct period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
algorithm_list_entry(column_name="CanScatter",
algorithm_property="CanScatter",
description='The run number of the scatter can',
@@ -83,13 +104,27 @@ def create_properties():
default='',
prefix='',
property_type=str),
- algorithm_list_entry(column_name="CanTransmission",
+ algorithm_list_entry(column_name="csp",
+ algorithm_property="CanScatterPeriod",
+ description='The can scatter period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
+ algorithm_list_entry(column_name="CanTrans",
algorithm_property="CanTransmission",
description='The run number of the transmission can',
show_value=False,
default='',
prefix='',
property_type=str),
+ algorithm_list_entry(column_name="ctp",
+ algorithm_property="CanTransmissionPeriod",
+ description='The can transmission period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
algorithm_list_entry(column_name="CanDirect",
algorithm_property="CanDirect",
description='The run number of the direct can',
@@ -97,6 +132,13 @@ def create_properties():
default='',
prefix='',
property_type=str),
+ algorithm_list_entry(column_name="cdp",
+ algorithm_property="CanDirectPeriod",
+ description='The can direct period',
+ show_value=False,
+ default='',
+ prefix='',
+ property_type=str),
algorithm_list_entry(column_name="",
algorithm_property="UseOptimizations",
description='If optimizations should be used.',
diff --git a/scripts/SANS/sans/state/move.py b/scripts/SANS/sans/state/move.py
index 31b7a9a3acb1787bd4256c65840c657fe265cf5b..bab29e5b3a63175123c33f91b837ce18e8329001 100644
--- a/scripts/SANS/sans/state/move.py
+++ b/scripts/SANS/sans/state/move.py
@@ -136,7 +136,7 @@ class StateMoveSANS2D(StateMove):
lab_detector_x = FloatParameter()
lab_detector_z = FloatParameter()
- monitor_4_offset = FloatParameter()
+ monitor_n_offset = FloatParameter()
def __init__(self):
super(StateMoveSANS2D, self).__init__()
@@ -156,7 +156,7 @@ class StateMoveSANS2D(StateMove):
# Set the monitor names
self.monitor_names = {}
- self.monitor_4_offset = 0.0
+ self.monitor_n_offset = 0.0
# Setup the detectors
self.detectors = {DetectorType.to_string(DetectorType.LAB): StateMoveDetector(),
diff --git a/scripts/SANS/sans/test_helper/mock_objects.py b/scripts/SANS/sans/test_helper/mock_objects.py
index bc3b45a0aef75f5b0537eb0a10a47b9328c06813..b6a6bd98a1e54b09d4f4b631bfac1ea4e982a15f 100644
--- a/scripts/SANS/sans/test_helper/mock_objects.py
+++ b/scripts/SANS/sans/test_helper/mock_objects.py
@@ -33,10 +33,10 @@ def get_cell_mock(row, column, convert_to=None):
# all of hte sample data
if column == 0:
return "SANS2D00022024"
- elif column == 1:
- return "SANS2D00022048"
elif column == 2:
return "SANS2D00022048"
+ elif column == 4:
+ return "SANS2D00022048"
else:
return ""
else:
diff --git a/scripts/SANS/sans/user_file/state_director.py b/scripts/SANS/sans/user_file/state_director.py
index 80fba55930f57b5801cefd27deeddf7eea33475f..a487a0aa335bbc980c3bba9cb047f4766b96c64a 100644
--- a/scripts/SANS/sans/user_file/state_director.py
+++ b/scripts/SANS/sans/user_file/state_director.py
@@ -458,15 +458,15 @@ class StateDirectorISIS(object):
# Monitor 4 offset; for now this is only SANS2D
# ---------------------------
if TransId.spec_shift in user_file_items:
- monitor_4_shift = user_file_items[TransId.spec_shift]
+ monitor_n_shift = user_file_items[TransId.spec_shift]
# Should the user have chosen several values, then the last element is selected
- check_if_contains_only_one_element(monitor_4_shift, TransId.spec_shift)
- monitor_4_shift = monitor_4_shift[-1]
- set_monitor_4_offset = getattr(self._move_builder, "set_monitor_4_offset", None)
- if isinstance(set_monitor_4_offset, collections.Callable):
- self._move_builder.set_monitor_4_offset(convert_mm_to_m(monitor_4_shift))
+ check_if_contains_only_one_element(monitor_n_shift, TransId.spec_shift)
+ monitor_n_shift = monitor_n_shift[-1]
+ set_monitor_n_offset = getattr(self._move_builder, "set_monitor_n_offset", None)
+ if isinstance(set_monitor_n_offset, collections.Callable):
+ self._move_builder.set_monitor_n_offset(convert_mm_to_m(monitor_n_shift))
else:
- log_non_existing_field("set_monitor_4_offset")
+ log_non_existing_field("set_monitor_n_offset")
# ---------------------------
# Beam Centre, this can be for HAB and LAB
diff --git a/scripts/SANS/sans/user_file/user_file_parser.py b/scripts/SANS/sans/user_file/user_file_parser.py
index e84ebb81ffdbd8806c55bfaf374b59b7b60c5e16..cb6af4541c8419c95d0a99562a82127b4a6f2891 100644
--- a/scripts/SANS/sans/user_file/user_file_parser.py
+++ b/scripts/SANS/sans/user_file/user_file_parser.py
@@ -1209,9 +1209,8 @@ class TransParser(UserFileComponentParser):
# Trans Spec Shift
self._shift = "\\s*/\\s*SHIFT\\s*=\\s*"
- self._trans_spec_4 = self._trans_spec + "4"
- self._trans_spec_shift_pattern = re.compile(start_string + self._trans_spec_4 + self._shift + float_number +
- end_string)
+ self._trans_spec_shift_pattern = re.compile(start_string + self._trans_spec + integer_number + self._shift +
+ float_number + end_string)
# Radius
self._radius = "\\s*RADIUS\\s*=\\s*"
@@ -1288,10 +1287,20 @@ class TransParser(UserFileComponentParser):
return {TransId.spec: trans_spec}
def _extract_trans_spec_shift(self, line):
- trans_spec_shift_string = re.sub(self._trans_spec_4, "", line)
+ # Get the transpec
+ trans_spec_string = re.sub(self._trans_spec, "", line)
+ to_remove = re.compile(self._shift + float_number)
+ trans_spec_string = re.sub(to_remove, "", trans_spec_string)
+ trans_spec_string = re.sub(" ", "", trans_spec_string)
+ trans_spec = int(trans_spec_string)
+
+ # Get the shift
+ to_remove = re.compile(self._trans_spec + integer_number)
+ trans_spec_shift_string = re.sub(to_remove, "", line)
trans_spec_shift_string = re.sub(self._shift, "", trans_spec_shift_string)
+ trans_spec_shift_string = re.sub(" ", "", trans_spec_shift_string)
trans_spec_shift = convert_string_to_float(trans_spec_shift_string)
- return {TransId.spec_shift: trans_spec_shift, TransId.spec: 4}
+ return {TransId.spec_shift: trans_spec_shift, TransId.spec: trans_spec}
def _extract_radius(self, line):
radius_string = re.sub(self._radius, "", line)
diff --git a/scripts/reduction_workflow/instruments/sans/sns_command_interface.py b/scripts/reduction_workflow/instruments/sans/sns_command_interface.py
index 5af57ec224172740e5d2d05781241ba7f22123b1..8c8ba289f485695cc12f9ae6adec877430fc7f90 100644
--- a/scripts/reduction_workflow/instruments/sans/sns_command_interface.py
+++ b/scripts/reduction_workflow/instruments/sans/sns_command_interface.py
@@ -125,3 +125,11 @@ def Resolution(sample_aperture_diameter=10.0):
def IndependentBinning(independent_binning=True):
ReductionSingleton().reduction_properties["IQIndependentBinning"]=independent_binning
+
+
+def SetDetectorOffset(distance):
+ ReductionSingleton().reduction_properties["DetectorOffset"] = distance
+
+
+def SetSampleOffset(distance):
+ ReductionSingleton().reduction_properties["SampleOffset"] = distance
diff --git a/scripts/test/AbinsCalculatePowderTest.py b/scripts/test/AbinsCalculatePowderTest.py
index d481577f462a06a302ca597347d72ca2a24321f2..fdde3630a3c480286703ea945bf04b266cd5db40 100644
--- a/scripts/test/AbinsCalculatePowderTest.py
+++ b/scripts/test/AbinsCalculatePowderTest.py
@@ -6,30 +6,6 @@ import AbinsModules
import json
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsModules.AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsCalculatePowderTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
- return decorate
-
-
-@skip_if(old_modules)
class AbinsCalculatePowderTest(unittest.TestCase):
# data
diff --git a/scripts/test/AbinsCalculateSPowder2DTest.py b/scripts/test/AbinsCalculateSPowder2DTest.py
index 036e88791937e4f80a95f233e54b8f24440c0b36..194f0594332b912517fd5645b9cdaa8bff3c6e4f 100644
--- a/scripts/test/AbinsCalculateSPowder2DTest.py
+++ b/scripts/test/AbinsCalculateSPowder2DTest.py
@@ -7,32 +7,6 @@ import numpy as np
from AbinsModules import AbinsConstants, CalculateS, LoadCASTEP, AbinsTestHelpers, AbinsParameters, InstrumentProducer
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsCalculateSPowderTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
-
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
-
- return decorate
-
-
-@skip_if(old_modules)
class AbinsCalculateSPowder2DTest(unittest.TestCase):
_temperature = 10 # 10 K, temperature for the benchmark
diff --git a/scripts/test/AbinsCalculateSPowderTest.py b/scripts/test/AbinsCalculateSPowderTest.py
index 474770d46744af593f1d403cfe1400d142eb0cff..5d8e58a61a52f274ce53b035c02e428d7537387a 100644
--- a/scripts/test/AbinsCalculateSPowderTest.py
+++ b/scripts/test/AbinsCalculateSPowderTest.py
@@ -6,32 +6,6 @@ import numpy as np
import AbinsModules
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsModules.AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsCalculateSPowderTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
-
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
-
- return decorate
-
-
-@skip_if(old_modules)
class AbinsCalculateSPowderTest(unittest.TestCase):
"""
Test of CalculateS for the Powder scenario.
diff --git a/scripts/test/AbinsIOmoduleTest.py b/scripts/test/AbinsIOmoduleTest.py
index 55f705bcdf51e285a23a258f9725edb4822c81ca..97281512e41526eaf895e8f051fd3ceb0cb775b3 100644
--- a/scripts/test/AbinsIOmoduleTest.py
+++ b/scripts/test/AbinsIOmoduleTest.py
@@ -5,32 +5,6 @@ import numpy as np
from AbinsModules import IOmodule, AbinsTestHelpers
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsIOmoduleTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
-
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
-
- return decorate
-
-
-@skip_if(old_modules)
class AbinsIOmoduleTest(unittest.TestCase):
def tearDown(self):
diff --git a/scripts/test/AbinsLoadGAUSSIANTest.py b/scripts/test/AbinsLoadGAUSSIANTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..8029d7ff8217de6776d1130113f624a0e90db621
--- /dev/null
+++ b/scripts/test/AbinsLoadGAUSSIANTest.py
@@ -0,0 +1,22 @@
+from __future__ import (absolute_import, division, print_function)
+import unittest
+from mantid.simpleapi import logger
+import AbinsModules
+
+
+class AbinsLoadGAUSSIANTest(unittest.TestCase, AbinsModules.GeneralLoadDFTTester):
+
+ def tearDown(self):
+ AbinsModules.AbinsTestHelpers.remove_output_files(list_of_names=["LoadGAUSSIAN"])
+
+ # *************************** USE CASES ********************************************
+ # ===================================================================================
+ # | Use cases: molecular calculation for GAUSSIAN |
+ # ===================================================================================
+ _molecule_gaussian = "C6H5Cl-LoadGAUSSIAN"
+
+ def test_molecule_gaussian(self):
+ self._check(name=self._molecule_gaussian, loader=AbinsModules.LoadGAUSSIAN)
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/scripts/test/AbinsPowderDataTest.py b/scripts/test/AbinsPowderDataTest.py
index 1127cba15c1d179c7931519997cbd75717c5a8c2..5d7375408f605a594d84c631fd66050346d88a9d 100644
--- a/scripts/test/AbinsPowderDataTest.py
+++ b/scripts/test/AbinsPowderDataTest.py
@@ -5,32 +5,6 @@ import numpy as np
from AbinsModules import PowderData, AbinsTestHelpers
-def old_modules():
- """" Check if there are proper versions of Python and numpy."""
- is_numpy_old = AbinsTestHelpers.is_numpy_valid(np.__version__)
- if is_numpy_old:
- logger.warning("Skipping AbinsPowderDataTest because numpy is too old.")
-
- return is_numpy_old
-
-
-def skip_if(skipping_criteria):
- """
- Skip all tests if the supplied function returns true.
- Python unittest.skipIf is not available in 2.6 (RHEL6) so we'll roll our own.
- """
-
- def decorate(cls):
- if skipping_criteria():
- for attr in cls.__dict__.keys():
- if callable(getattr(cls, attr)) and 'test' in attr:
- delattr(cls, attr)
- return cls
-
- return decorate
-
-
-@skip_if(old_modules)
class AbinsPowderDataTest(unittest.TestCase):
def test_input(self):
diff --git a/scripts/test/ISISPowderAbsorptionTest.py b/scripts/test/ISISPowderAbsorptionTest.py
index 3e288d8ed1ea5edd9dbd1c1e786657c68162a881..b9df2e5948faf84cd3d010ba8731a9b0efb4b2c1 100644
--- a/scripts/test/ISISPowderAbsorptionTest.py
+++ b/scripts/test/ISISPowderAbsorptionTest.py
@@ -12,7 +12,7 @@ from isis_powder.routines import absorb_corrections, SampleDetails
class ISISPowderAbsorptionTest(unittest.TestCase):
def test_sample_is_set_correctly(self):
- sample_details = SampleDetails(height=4.0, radius=0.25, center=[0., 0., 0.])
+ sample_details = SampleDetails(height=4.0, radius=0.25, center=[0., 0., 0.], shape="cylinder")
sample_details.set_material(chemical_formula="V")
ws = mantid.CreateSampleWorkspace(Function='Flat background', NumBanks=1, BankPixelWidth=1, XMax=10, BinWidth=1)
diff --git a/scripts/test/ISISPowderSampleDetailsTest.py b/scripts/test/ISISPowderSampleDetailsTest.py
index dd2abd0fa10e6d23003e7c9f5524144329ee11f4..cf809e1c42c843086b10392ab4810dcfc806941a 100644
--- a/scripts/test/ISISPowderSampleDetailsTest.py
+++ b/scripts/test/ISISPowderSampleDetailsTest.py
@@ -20,31 +20,34 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
# Check easiest case
sample_details_obj = sample_details.SampleDetails(height=expected_height, radius=expected_radius,
center=expected_center)
- self.assertEqual(sample_details_obj.height, expected_height)
- self.assertEqual(sample_details_obj.radius, expected_radius)
- self.assertEqual(sample_details_obj.center, expected_center)
+ self.assertEqual(sample_details_obj.height(), expected_height)
+ self.assertEqual(sample_details_obj.radius(), expected_radius)
+ self.assertEqual(sample_details_obj.center(), expected_center)
+
+ # Check shape stype defaults to cylinder
+ self.assertEqual(sample_details_obj.shape_type(), "cylinder")
# Does it handle ints correctly
height_radius_int = 1
center_int = [2, 3, 4]
sample_details_obj_int = sample_details.SampleDetails(height=height_radius_int, radius=height_radius_int,
- center=center_int)
- self.assertTrue(isinstance(sample_details_obj.height, float))
- self.assertTrue(isinstance(sample_details_obj.radius, float))
- self.assertEqual(sample_details_obj_int.height, float(height_radius_int))
- self.assertEqual(sample_details_obj_int.radius, float(height_radius_int))
- self.assertEqual(sample_details_obj_int.center, [2.0, 3.0, 4.0])
+ center=center_int, shape="cylinder")
+ self.assertTrue(isinstance(sample_details_obj.height(), float))
+ self.assertTrue(isinstance(sample_details_obj.radius(), float))
+ self.assertEqual(sample_details_obj_int.height(), float(height_radius_int))
+ self.assertEqual(sample_details_obj_int.radius(), float(height_radius_int))
+ self.assertEqual(sample_details_obj_int.center(), [2.0, 3.0, 4.0])
# Does it handle strings correctly
height_radius_string = "5"
center_string = ["2.0", "3.0", "5.0"]
sample_details_obj_str = sample_details.SampleDetails(height=height_radius_string, radius=height_radius_string,
- center=center_string)
- self.assertTrue(isinstance(sample_details_obj.height, float))
- self.assertTrue(isinstance(sample_details_obj.radius, float))
- self.assertEqual(sample_details_obj_str.height, float(height_radius_string))
- self.assertEqual(sample_details_obj_str.radius, float(height_radius_string))
- self.assertEqual(sample_details_obj_str.center, [2.0, 3.0, 5.0])
+ center=center_string, shape="cylinder")
+ self.assertTrue(isinstance(sample_details_obj.height(), float))
+ self.assertTrue(isinstance(sample_details_obj.radius(), float))
+ self.assertEqual(sample_details_obj_str.height(), float(height_radius_string))
+ self.assertEqual(sample_details_obj_str.radius(), float(height_radius_string))
+ self.assertEqual(sample_details_obj_str.center(), [2.0, 3.0, 5.0])
def test_constructor_non_number_input(self):
good_input = 1.0
@@ -54,31 +57,34 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
# Check it handles empty input
with assertRaisesRegex(self, ValueError, "Could not convert the height to a number"):
- sample_details.SampleDetails(height=empty_input_value, radius=good_input, center=good_center_input)
+ sample_details.SampleDetails(height=empty_input_value, radius=good_input,
+ center=good_center_input, shape="cylinder")
# Does it handle bad input and tell us what we put in
with assertRaisesRegex(self, ValueError, ".*to a number. The input was: '" + char_input_value + "'"):
- sample_details.SampleDetails(height=char_input_value, radius=good_input, center=good_center_input)
+ sample_details.SampleDetails(height=char_input_value, radius=good_input,
+ center=good_center_input, shape="cylinder")
# Does it indicate which field was incorrect
with assertRaisesRegex(self, ValueError, "radius"):
- sample_details.SampleDetails(height=good_input, radius=char_input_value, center=good_center_input)
+ sample_details.SampleDetails(height=good_input, radius=char_input_value,
+ center=good_center_input, shape="cylinder")
# Can it handle bad center values
with assertRaisesRegex(self, ValueError, "center"):
- sample_details.SampleDetails(height=good_input, radius=good_input, center=["", 2, 3])
+ sample_details.SampleDetails(height=good_input, radius=good_input, center=["", 2, 3], shape="cylinder")
# Does it throw if were not using a list for the input
with assertRaisesRegex(self, ValueError, "must be specified as a list of X, Y, Z"):
- sample_details.SampleDetails(height=good_input, radius=good_input, center=1)
+ sample_details.SampleDetails(height=good_input, radius=good_input, center=1, shape="cylinder")
# Does it throw if we are using a list of incorrect length (e.g. not 3D)
with assertRaisesRegex(self, ValueError, "must have three values corresponding to"):
- sample_details.SampleDetails(height=good_input, radius=good_input, center=[])
+ sample_details.SampleDetails(height=good_input, radius=good_input, center=[], shape="cylinder")
with assertRaisesRegex(self, ValueError, "must have three values corresponding to"):
- sample_details.SampleDetails(height=good_input, radius=good_input, center=[1, 2])
+ sample_details.SampleDetails(height=good_input, radius=good_input, center=[1, 2], shape="cylinder")
with assertRaisesRegex(self, ValueError, "must have three values corresponding to"):
- sample_details.SampleDetails(height=good_input, radius=good_input, center=[1, 2, 3, 4])
+ sample_details.SampleDetails(height=good_input, radius=good_input, center=[1, 2, 3, 4], shape="cylinder")
def test_constructor_with_impossible_val(self):
good_input = 1
@@ -90,22 +96,26 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
# Check it handles zero
with assertRaisesRegex(self, ValueError, "The value set for height was: 0"):
- sample_details.SampleDetails(height=zero_value, radius=good_input, center=good_center_input)
+ sample_details.SampleDetails(height=zero_value, radius=good_input,
+ center=good_center_input, shape="cylinder")
# Very small negative
with assertRaisesRegex(self, ValueError, "which is impossible for a physical object"):
- sample_details.SampleDetails(height=good_input, radius=negative_value, center=good_center_input)
+ sample_details.SampleDetails(height=good_input, radius=negative_value,
+ center=good_center_input, shape="cylinder")
# Integer negative
with assertRaisesRegex(self, ValueError, "The value set for height was: -1"):
- sample_details.SampleDetails(height=negative_int, radius=good_input, center=good_center_input)
+ sample_details.SampleDetails(height=negative_int, radius=good_input,
+ center=good_center_input, shape="cylinder")
# String negative
with assertRaisesRegex(self, ValueError, "The value set for radius was: -1"):
- sample_details.SampleDetails(height=good_input, radius=negative_string, center=good_center_input)
+ sample_details.SampleDetails(height=good_input, radius=negative_string,
+ center=good_center_input, shape="cylinder")
def test_set_material(self):
- sample_details_obj = sample_details.SampleDetails(height=1.0, radius=1.0, center=[2, 3, 4])
+ sample_details_obj = sample_details.SampleDetails(height=1.0, radius=1.0, center=[2, 3, 4], shape="cylinder")
# Check that we can only set a material once. We will test the underlying class elsewhere
sample_details_obj.set_material(chemical_formula='V')
@@ -124,7 +134,7 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
self.assertIsNotNone(sample_details_obj.material_object)
def test_set_material_properties(self):
- sample_details_obj = sample_details.SampleDetails(height=1.0, radius=1.0, center=[2, 3, 5])
+ sample_details_obj = sample_details.SampleDetails(height=1.0, radius=1.0, center=[2, 3, 5], shape="cylinder")
self.assertIsNone(sample_details_obj.material_object)
@@ -225,7 +235,7 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
sys.stdout = std_out_buffer
sample_details_obj = sample_details.SampleDetails(height=expected_height, radius=expected_radius,
- center=expected_center)
+ center=expected_center, shape="cylinder")
# Test with most defaults set
sample_details_obj.print_sample_details()
captured_std_out_default = std_out_buffer.getvalue()
@@ -275,6 +285,64 @@ class ISISPowderSampleDetailsTest(unittest.TestCase):
# Ensure std IO is restored. Do NOT remove this line as all std out will pipe into our buffer otherwise
sys.stdout = old_std_out
+ def test_construct_slab(self):
+ expected_thickness = 2.2
+ expected_width = 1.0
+ expected_height = 2.0
+ expected_center = [1.0, 2.0, 3.0]
+ expected_angle = 3.0
+
+ # Check easiest case
+ sample_details_obj = sample_details.SampleDetails(thickness=expected_thickness, shape="slab",
+ height=expected_height, width=expected_width,
+ center=expected_center, angle=expected_angle)
+ self.assertEqual(sample_details_obj.thickness(), expected_thickness)
+ self.assertEqual(sample_details_obj.width(), expected_width)
+ self.assertEqual(sample_details_obj.height(), expected_height)
+ self.assertEqual(sample_details_obj.center(), expected_center)
+ self.assertEqual(sample_details_obj.angle(), expected_angle)
+
+ # Does it handle ints correctly
+ thickness_int = 1
+ width_int = 2
+ height_int = 3
+ center_int = [1, 2, 3]
+ angle_int = 4
+ sample_details_obj_int = sample_details.SampleDetails(thickness=thickness_int, shape="slab",
+ height=height_int, width=width_int, center=center_int,
+ angle=angle_int)
+ self.assertTrue(isinstance(sample_details_obj_int.thickness(), float))
+ self.assertTrue(isinstance(sample_details_obj_int.width(), float))
+ self.assertTrue(isinstance(sample_details_obj_int.height(), float))
+ self.assertTrue(isinstance(sample_details_obj_int.center(), list))
+ self.assertTrue(all(isinstance(p, float) for p in sample_details_obj_int.center()))
+ self.assertTrue(isinstance(sample_details_obj_int.angle(), float))
+ self.assertEqual(sample_details_obj_int.thickness(), float(thickness_int))
+ self.assertEqual(sample_details_obj_int.width(), float(width_int))
+ self.assertEqual(sample_details_obj_int.height(), float(height_int))
+ self.assertEqual(sample_details_obj_int.center(), [float(p) for p in center_int])
+ self.assertEqual(sample_details_obj_int.angle(), float(angle_int))
+
+ # Does it handle strings correctly
+ thickness_string = "5"
+ width_string = "1"
+ height_string = "2"
+ center_string = ["1", "2", "3"]
+ angle_string = "3"
+ sample_details_obj_str = sample_details.SampleDetails(thickness=thickness_string, shape="slab",
+ height=height_string, width=width_string,
+ center=center_string, angle=angle_string)
+ self.assertTrue(isinstance(sample_details_obj_str.thickness(), float))
+ self.assertTrue(isinstance(sample_details_obj_str.width(), float))
+ self.assertTrue(isinstance(sample_details_obj_str.height(), float))
+ self.assertTrue(isinstance(sample_details_obj_str.center(), list))
+ self.assertTrue(all(isinstance(p, float) for p in sample_details_obj_str.center()))
+ self.assertTrue(isinstance(sample_details_obj_str.angle(), float))
+ self.assertEqual(sample_details_obj_str.thickness(), float(thickness_string))
+ self.assertEqual(sample_details_obj_str.width(), float(width_string))
+ self.assertEqual(sample_details_obj_str.height(), float(height_string))
+ self.assertEqual(sample_details_obj_str.center(), [float(p) for p in center_string])
+ self.assertEqual(sample_details_obj_str.angle(), float(angle_string))
def get_std_out_buffer_obj():
# Because of the way that strings and bytes
diff --git a/scripts/test/Muon/CMakeLists.txt b/scripts/test/Muon/CMakeLists.txt
new file mode 100644
index 0000000000000000000000000000000000000000..37a20ee55a9647ea6b6c948547f961ae67423485
--- /dev/null
+++ b/scripts/test/Muon/CMakeLists.txt
@@ -0,0 +1,12 @@
+#
+## Tests for Muon GUIs
+##
+
+set ( TEST_PY_FILES
+ FFTPresenter_test.py
+)
+
+check_tests_valid ( ${CMAKE_CURRENT_SOURCE_DIR} ${TEST_PY_FILES} )
+
+# Prefix for test name=PythonAlgorithms
+pyunittest_add_test ( ${CMAKE_CURRENT_SOURCE_DIR} python.Muon ${TEST_PY_FILES} )
diff --git a/scripts/test/Muon/FFTPresenter_test.py b/scripts/test/Muon/FFTPresenter_test.py
new file mode 100644
index 0000000000000000000000000000000000000000..13648588c91395bfefaaabe9b0bb9bad7ce6b2f7
--- /dev/null
+++ b/scripts/test/Muon/FFTPresenter_test.py
@@ -0,0 +1,146 @@
+import mantid.simpleapi as mantid
+import sys
+from Muon import FFT_presenter
+from Muon import FFT_view
+import unittest
+if sys.version_info.major == 3:
+ from unittest import mock
+else:
+ import mock
+
+
+class FFTPresenterTest(unittest.TestCase):
+ def setUp(self):
+ self.view=mock.create_autospec(FFT_view.FFTView,spec_set=True)
+ #signals
+ self.view.tableClickSignal=mock.Mock(return_value=[3,1])
+ #needed for connect in presenter
+ self.view.buttonSignal=mock.Mock()
+ # functions
+ self.view.changed=mock.MagicMock()
+ self.view.changedHideUnTick=mock.MagicMock()
+ self.view.initFFTInput=mock.Mock(return_value={"InputWorkspace":"testWS","OutputWorkspace":"muon"})
+ self.view.addFFTComplex=mock.Mock(return_value={"InputImWorkspace":"MuonFFT"})
+ self.view.addFFTShift=mock.Mock()
+ self.view.addRaw=mock.Mock()
+
+ #get methods
+ self.view.getImBoxRow=mock.Mock(return_value=3)
+ self.view.getShiftBoxRow=mock.Mock(return_value=5)
+ self.view.isRaw=mock.Mock(return_value=True)
+ self.view.isComplex=mock.Mock(return_value=True)
+ self.view.isAutoShift=mock.Mock(return_value=True)
+
+
+ #set presenter
+ self.presenter=FFT_presenter.FFTPresenter(self.view)
+ def sendSignal(self):
+ row,col=self.view.tableClickSignal()
+ self.presenter.tableClicked(row,col)
+
+ def test_ImBox(self):
+ self.sendSignal()
+ self.view.tableClickSignal=mock.Mock(return_value=[3,1])
+ assert(self.view.changedHideUnTick.call_count==1)
+ assert(self.view.changed.call_count == 0)
+
+ def test_shiftBox(self):
+ self.view.tableClickSignal=mock.Mock(return_value=[5,1])
+ self.sendSignal()
+ assert(self.view.changed.call_count==1)
+ assert(self.view.changedHideUnTick.call_count==0)
+
+
+ def test_buttonNotRawAndNoIm(self):
+ self.view.isAutoShift=mock.Mock(return_value=True)
+ self.view.isComplex=mock.Mock(return_value=False)
+ self.view.isRaw=mock.Mock(return_value=False)
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==0)
+ assert(self.view.addFFTShift.call_count==0)
+ assert(self.view.addRaw.call_count==0)
+
+ def test_buttonNotRawAndIm(self):
+ self.view.isAutoShift=mock.Mock(return_value=True)
+ self.view.isComplex=mock.Mock(return_value=True)
+ self.view.isRaw=mock.Mock(return_value=False)
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==1)
+ assert(self.view.addFFTShift.call_count==0)
+ assert(self.view.addRaw.call_count==0)
+
+ def test_buttonRawAndIm(self):
+ self.view.isAutoShift=mock.Mock(return_value=True)
+ self.view.isComplex=mock.Mock(return_value=True)
+ self.view.isRaw=mock.Mock(return_value=True)
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==1)
+ assert(self.view.addFFTShift.call_count==0)
+ assert(self.view.addRaw.call_count==2)
+
+ def test_buttonRawAndNoIm(self):
+ self.view.isAutoShift=mock.Mock(return_value=True)
+ self.view.isComplex=mock.Mock(return_value=False)
+ self.view.isRaw=mock.Mock(return_value=True)
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==0)
+ assert(self.view.addFFTShift.call_count==0)
+ assert(self.view.addRaw.call_count==1)
+
+
+
+ def test_buttonNoShiftNotRawAndNoIm(self):
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.view.isAutoShift=mock.Mock(return_value=False)
+ self.view.isComplex=mock.Mock(return_value=False)
+ self.view.isRaw=mock.Mock(return_value=False)
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==0)
+ assert(self.view.addFFTShift.call_count==1)
+ assert(self.view.addRaw.call_count==0)
+
+ def test_buttonNoShiftNotRawAndIm(self):
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.view.isAutoShift=mock.Mock(return_value=False)
+ self.view.isComplex=mock.Mock(return_value=True)
+ self.view.isRaw=mock.Mock(return_value=False)
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==1)
+ assert(self.view.addFFTShift.call_count==1)
+ assert(self.view.addRaw.call_count==0)
+
+ def test_buttonNoShiftRawAndIm(self):
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.view.isAutoShift=mock.Mock(return_value=False)
+ self.view.isComplex=mock.Mock(return_value=True)
+ self.view.isRaw=mock.Mock(return_value=True)
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==1)
+ assert(self.view.addFFTShift.call_count==1)
+ assert(self.view.addRaw.call_count==2)
+
+ def test_buttonNoShiftRawAndNoIm(self):
+ self.view.isAutoShift=mock.Mock(return_value=False)
+ self.view.isComplex=mock.Mock(return_value=False)
+ self.view.isRaw=mock.Mock(return_value=True)
+ testWS=mantid.CreateWorkspace([0,1],[2,3])
+ self.presenter.handleButton()
+ assert(self.view.initFFTInput.call_count==1)
+ assert(self.view.addFFTComplex.call_count==0)
+ assert(self.view.addFFTShift.call_count==1)
+ assert(self.view.addRaw.call_count==1)
+
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/scripts/test/SANS/gui_logic/gui_state_director_test.py b/scripts/test/SANS/gui_logic/gui_state_director_test.py
index 124523118202ab7c66c722bc8b1c69631e538d42..138f78caaca1a4af4d622240bf1021e9d381661e 100644
--- a/scripts/test/SANS/gui_logic/gui_state_director_test.py
+++ b/scripts/test/SANS/gui_logic/gui_state_director_test.py
@@ -17,7 +17,7 @@ from sans.test_helper.user_file_test_helper import create_user_file, sample_user
class GuiStateDirectorTest(unittest.TestCase):
@staticmethod
def _get_table_model(option_string=""):
- table_index_model = TableIndexModel(0, "SANS2D00022024", "", "",
+ table_index_model = TableIndexModel(0, "SANS2D00022024", "", "", "", "", "", "", "", "",
"", "", "", "", option_string)
table_model = TableModel()
table_model.add_table_entry(0, table_index_model)
@@ -48,8 +48,8 @@ class GuiStateDirectorTest(unittest.TestCase):
self.assertTrue(state.wavelength.wavelength_high == 12.5)
def test_that_will_raise_when_models_are_incomplete(self):
- table_index_model = TableIndexModel(0, "", "", "",
- "", "", "")
+ table_index_model = TableIndexModel(0, "", "", "", "", "", "",
+ "", "", "", "", "", "")
table_model = TableModel()
table_model.add_table_entry(0, table_index_model)
state_model = self._get_state_gui_model()
diff --git a/scripts/test/SANS/gui_logic/main_presenter_test.py b/scripts/test/SANS/gui_logic/main_presenter_test.py
index 088544c0c3bd26d06ab267c0063bdb6be101d52c..f3e0e7aaf4e9a12b3a6e8183dc3301ff2b07788e 100644
--- a/scripts/test/SANS/gui_logic/main_presenter_test.py
+++ b/scripts/test/SANS/gui_logic/main_presenter_test.py
@@ -21,22 +21,30 @@ class MainPresenterTest(unittest.TestCase):
presenter = MainPresenter(SANSFacility.ISIS)
self.assertTrue(presenter.get_number_of_white_list_items() == 0)
white_list = presenter.get_white_list()
- self.assertTrue(presenter.get_number_of_white_list_items() == 10)
+ self.assertTrue(presenter.get_number_of_white_list_items() == 16)
self.assertTrue(white_list[0].algorithm_property == "SampleScatter")
- self.assertTrue(white_list[1].algorithm_property == "SampleTransmission")
- self.assertTrue(white_list[2].algorithm_property == "SampleDirect")
- self.assertTrue(white_list[3].algorithm_property == "CanScatter")
- self.assertTrue(white_list[4].algorithm_property == "CanTransmission")
- self.assertTrue(white_list[5].algorithm_property == "CanDirect")
- self.assertTrue(white_list[6].algorithm_property == "UseOptimizations")
- self.assertTrue(white_list[7].algorithm_property == "OutputName")
- self.assertTrue(white_list[8].algorithm_property == "RowIndex")
- self.assertTrue(white_list[9].algorithm_property == "OutputMode")
+ self.assertTrue(white_list[1].algorithm_property == "SampleScatterPeriod")
+ self.assertTrue(white_list[2].algorithm_property == "SampleTransmission")
+ self.assertTrue(white_list[3].algorithm_property == "SampleTransmissionPeriod")
+ self.assertTrue(white_list[4].algorithm_property == "SampleDirect")
+ self.assertTrue(white_list[5].algorithm_property == "SampleDirectPeriod")
+ self.assertTrue(white_list[6].algorithm_property == "CanScatter")
+ self.assertTrue(white_list[7].algorithm_property == "CanScatterPeriod")
+ self.assertTrue(white_list[8].algorithm_property == "CanTransmission")
+ self.assertTrue(white_list[9].algorithm_property == "CanTransmissionPeriod")
+ self.assertTrue(white_list[10].algorithm_property == "CanDirect")
+ self.assertTrue(white_list[11].algorithm_property == "CanDirectPeriod")
+ self.assertTrue(white_list[12].algorithm_property == "UseOptimizations")
+ self.assertTrue(white_list[13].algorithm_property == "OutputName")
+ self.assertTrue(white_list[14].algorithm_property == "RowIndex")
+ self.assertTrue(white_list[15].algorithm_property == "OutputMode")
def test_that_black_list_is_correct(self):
presenter = MainPresenter(SANSFacility.ISIS)
- expected = "InputWorkspace,OutputWorkspace,SampleScatter,SampleTransmission,SampleDirect,CanScatter," \
- "CanTransmission,CanDirect,UseOptimizations,OutputName,RowIndex,OutputMode,"
+ expected = "InputWorkspace,OutputWorkspace,SampleScatter,SampleScatterPeriod,SampleTransmission," \
+ "SampleTransmissionPeriod,SampleDirect,SampleDirectPeriod,CanScatter,CanScatterPeriod," \
+ "CanTransmission,CanTransmissionPeriod,CanDirect,CanDirectPeriod," \
+ "UseOptimizations,OutputName,RowIndex,OutputMode,"
self.assertTrue(expected == presenter.get_black_list())
def test_that_gets_pre_processing_options_are_valid_and_other_options_are_empty(self):
diff --git a/scripts/test/SANS/gui_logic/run_tab_presenter_test.py b/scripts/test/SANS/gui_logic/run_tab_presenter_test.py
index a8b68815a4a5392734fea7d24db503a9c4f78be5..b8ebf1102875a25e283b17fee46e2d709969a0a9 100644
--- a/scripts/test/SANS/gui_logic/run_tab_presenter_test.py
+++ b/scripts/test/SANS/gui_logic/run_tab_presenter_test.py
@@ -1,3 +1,4 @@
+
from __future__ import (absolute_import, division, print_function)
import unittest
@@ -13,12 +14,25 @@ from sans.common.enums import (SANSFacility, ReductionDimensionality, SaveType,
from sans.test_helper.user_file_test_helper import (create_user_file, sample_user_file)
from sans.test_helper.mock_objects import (create_mock_view)
from sans.test_helper.common import (remove_file, save_to_csv)
+
if sys.version_info.major == 3:
from unittest import mock
else:
import mock
+BATCH_FILE_TEST_CONTENT_1 = "# MANTID_BATCH_FILE add more text here\n" \
+ "sample_sans,1,sample_trans,2,sample_direct_beam,3," \
+ "output_as,test_file,user_file,user_test_file\n" \
+ "sample_sans,1,can_sans,2,output_as,test_file2\n"
+
+
+BATCH_FILE_TEST_CONTENT_2 = "# MANTID_BATCH_FILE add more text here\n" \
+ "sample_sans,SANS2D00022024,sample_trans,SANS2D00022048," \
+ "sample_direct_beam,SANS2D00022048,output_as,test_file\n" \
+ "sample_sans,SANS2D00022024,output_as,test_file2\n"
+
+
class RunTabPresenterTest(unittest.TestCase):
def setUp(self):
config.setFacility("ISIS")
@@ -61,7 +75,7 @@ class RunTabPresenterTest(unittest.TestCase):
self.assertTrue(view.transmission_mask_files == "test4.xml")
self.assertTrue(view.transmission_radius == 7.)
self.assertTrue(view.transmission_monitor == 4)
- self.assertTrue(view.transmission_m4_shift == -70)
+ self.assertTrue(view.transmission_mn_shift == -70)
self.assertTrue(view.transmission_sample_use_fit)
self.assertTrue(view.transmission_sample_fit_type is FitType.Logarithmic)
self.assertTrue(view.transmission_sample_polynomial_order == 2)
@@ -91,7 +105,8 @@ class RunTabPresenterTest(unittest.TestCase):
# Assert certain function calls
self.assertTrue(view.get_user_file_path.call_count == 3)
self.assertTrue(view.get_batch_file_path.call_count == 2) # called twice for the sub presenter updates (masking table and settings diagnostic tab) # noqa
- self.assertTrue(view.get_cell.call_count == 36)
+ self.assertTrue(view.get_cell.call_count == 60)
+
self.assertTrue(view.get_number_of_rows.call_count == 6)
# clean up
@@ -112,32 +127,23 @@ class RunTabPresenterTest(unittest.TestCase):
def test_that_loads_batch_file_and_places_it_into_table(self):
# Arrange
- content = "# MANTID_BATCH_FILE add more text here\n" \
- "sample_sans,1,sample_trans,2,sample_direct_beam,3," \
- "output_as,test_file,user_file,user_test_file\n" \
- "sample_sans,1,can_sans,2,output_as,test_file2\n"
- batch_file_path = save_to_csv(content)
- user_file_path = create_user_file(sample_user_file)
- view, settings_diagnostic_tab, masking_table = create_mock_view(user_file_path, batch_file_path)
- presenter = RunTabPresenter(SANSFacility.ISIS)
- presenter.set_view(view)
+ batch_file_path, user_file_path, presenter, view = self._get_files_and_mock_presenter(BATCH_FILE_TEST_CONTENT_1)
# Act
presenter.on_batch_file_load()
# Assert
self.assertTrue(view.add_row.call_count == 2)
- expected_first_row = "SampleScatter:1,SampleTransmission:2,SampleDirect:3," \
- "CanScatter:,CanTransmission:,CanDirect:,OutputName:test_file"
- expected_second_row = "SampleScatter:1,SampleTransmission:,SampleDirect:," \
- "CanScatter:2,CanTransmission:,CanDirect:,OutputName:test_file2"
+ expected_first_row = "SampleScatter:1,ssp:,SampleTrans:2,stp:,SampleDirect:3,sdp:," \
+ "CanScatter:,csp:,CanTrans:,ctp:,CanDirect:,cdp:,OutputName:test_file"
+ expected_second_row = "SampleScatter:1,ssp:,SampleTrans:,stp:,SampleDirect:,sdp:," \
+ "CanScatter:2,csp:,CanTrans:,ctp:,CanDirect:,cdp:,OutputName:test_file2"
calls = [mock.call(expected_first_row), mock.call(expected_second_row)]
view.add_row.assert_has_calls(calls)
# Clean up
- remove_file(batch_file_path)
- remove_file(user_file_path)
+ self._remove_files(user_file_path=user_file_path, batch_file_path=batch_file_path)
def test_fails_silently_when_batch_file_does_not_exist(self):
presenter = RunTabPresenter(SANSFacility.ISIS)
@@ -153,20 +159,11 @@ class RunTabPresenterTest(unittest.TestCase):
self.assertFalse(has_raised)
# Clean up
- remove_file(user_file_path)
+ self._remove_files(user_file_path=user_file_path)
def test_that_gets_states_from_view(self):
# Arrange
- content = "# MANTID_BATCH_FILE add more text here\n" \
- "sample_sans,SANS2D00022024,sample_trans,SANS2D00022048," \
- "sample_direct_beam,SANS2D00022048,output_as,test_file\n" \
- "sample_sans,SANS2D00022024,output_as,test_file2\n"
- batch_file_path = save_to_csv(content)
- user_file_path = create_user_file(sample_user_file)
- view, _, _ = create_mock_view(user_file_path, batch_file_path)
-
- presenter = RunTabPresenter(SANSFacility.ISIS)
- presenter.set_view(view)
+ batch_file_path, user_file_path, presenter, _ = self._get_files_and_mock_presenter(BATCH_FILE_TEST_CONTENT_2)
presenter.on_user_file_load()
presenter.on_batch_file_load()
@@ -208,21 +205,11 @@ class RunTabPresenterTest(unittest.TestCase):
self.assertTrue(state0.reduction.reduction_dimensionality is ReductionDimensionality.OneDim)
# Clean up
- remove_file(batch_file_path)
- remove_file(user_file_path)
- #
+ self._remove_files(user_file_path=user_file_path, batch_file_path=batch_file_path)
+
def test_that_can_get_state_for_index_if_index_exists(self):
# Arrange
- content = "# MANTID_BATCH_FILE add more text here\n" \
- "sample_sans,SANS2D00022024,sample_trans,SANS2D00022048," \
- "sample_direct_beam,SANS2D00022048,output_as,test_file\n" \
- "sample_sans,SANS2D00022024,output_as,test_file2\n"
- batch_file_path = save_to_csv(content)
- user_file_path = create_user_file(sample_user_file)
- view, _, _ = create_mock_view(user_file_path, batch_file_path)
-
- presenter = RunTabPresenter(SANSFacility.ISIS)
- presenter.set_view(view)
+ batch_file_path, user_file_path, presenter, _ = self._get_files_and_mock_presenter(BATCH_FILE_TEST_CONTENT_2)
presenter.on_user_file_load()
presenter.on_batch_file_load()
@@ -239,20 +226,13 @@ class RunTabPresenterTest(unittest.TestCase):
self.assertTrue(state.data.can_direct is None)
# Clean up
- remove_file(batch_file_path)
- remove_file(user_file_path)
+ self._remove_files(user_file_path=user_file_path, batch_file_path=batch_file_path)
def test_that_returns_none_when_index_does_not_exist(self):
# Arrange
- # Arrange
- content = "# MANTID_BATCH_FILE add more text here\n" \
- "sample_sans,SANS2D00022024,sample_trans,SANS2D00022048," \
- "sample_direct_beam,SANS2D00022048,output_as,test_file\n" \
- "sample_sans,SANS2D00022024,output_as,test_file2\n"
- batch_file_path = save_to_csv(content)
+ batch_file_path = save_to_csv(BATCH_FILE_TEST_CONTENT_2)
user_file_path = create_user_file(sample_user_file)
view, _, _ = create_mock_view(user_file_path, batch_file_path)
-
presenter = RunTabPresenter(SANSFacility.ISIS)
presenter.set_view(view)
@@ -272,16 +252,7 @@ class RunTabPresenterTest(unittest.TestCase):
def test_that_populates_the_property_manager_data_service_when_processing_is_called(self):
# Arrange
self._clear_property_manager_data_service()
- content = "# MANTID_BATCH_FILE add more text here\n" \
- "sample_sans,SANS2D00022024,sample_trans,SANS2D00022048," \
- "sample_direct_beam,SANS2D00022048,output_as,test_file\n" \
- "sample_sans,SANS2D00022024,output_as,test_file2\n"
- batch_file_path = save_to_csv(content)
- user_file_path = create_user_file(sample_user_file)
- view, _, _ = create_mock_view(user_file_path, batch_file_path)
-
- presenter = RunTabPresenter(SANSFacility.ISIS)
- presenter.set_view(view)
+ batch_file_path, user_file_path, presenter, _ = self._get_files_and_mock_presenter(BATCH_FILE_TEST_CONTENT_2)
# This is not the nicest of tests, but better to test this functionality than not
presenter.on_user_file_load()
@@ -295,10 +266,29 @@ class RunTabPresenterTest(unittest.TestCase):
self.assertTrue(len(PropertyManagerDataService.getObjectNames()) == 2)
# clean up
- remove_file(sample_user_file)
- remove_file(user_file_path)
+ self._remove_files(user_file_path=user_file_path, batch_file_path=batch_file_path)
+
+ self._clear_property_manager_data_service()
+ def test_that_can_add_new_masks(self):
+ # Arrange
self._clear_property_manager_data_service()
+ batch_file_path, user_file_path, presenter, _ = self._get_files_and_mock_presenter(BATCH_FILE_TEST_CONTENT_2)
+
+ presenter.on_user_file_load()
+ presenter.on_batch_file_load()
+
+ # Act
+ presenter.on_mask_file_add()
+
+ # Assert
+ state = presenter.get_state_for_row(0)
+ mask_info = state.mask
+ mask_files = mask_info.mask_files
+ self.assertTrue(mask_files == [user_file_path])
+
+ # clean up
+ self._remove_files(user_file_path=user_file_path, batch_file_path=batch_file_path)
@staticmethod
def _clear_property_manager_data_service():
@@ -306,6 +296,24 @@ class RunTabPresenterTest(unittest.TestCase):
if PropertyManagerDataService.doesExist(element):
PropertyManagerDataService.remove(element)
+ @staticmethod
+ def _get_files_and_mock_presenter(content):
+ batch_file_path = save_to_csv(content)
+ user_file_path = create_user_file(sample_user_file)
+ view, _, _ = create_mock_view(user_file_path, batch_file_path)
+ # We just use the sample_user_file since it exists.
+ view.get_mask_file = mock.MagicMock(return_value=user_file_path)
+ presenter = RunTabPresenter(SANSFacility.ISIS)
+ presenter.set_view(view)
+ return batch_file_path, user_file_path, presenter, view
+
+ @staticmethod
+ def _remove_files(user_file_path=None, batch_file_path=None):
+ if user_file_path:
+ remove_file(user_file_path)
+ if batch_file_path:
+ remove_file(batch_file_path)
+
if __name__ == '__main__':
unittest.main()
diff --git a/scripts/test/SANS/gui_logic/settings_diagnostic_presenter_test.py b/scripts/test/SANS/gui_logic/settings_diagnostic_presenter_test.py
index 74633f93ad4446db6c5f900de41a1060c3be5315..d26ce2621974d39f5718c5d541ce60c34442ce76 100644
--- a/scripts/test/SANS/gui_logic/settings_diagnostic_presenter_test.py
+++ b/scripts/test/SANS/gui_logic/settings_diagnostic_presenter_test.py
@@ -1,11 +1,19 @@
from __future__ import (absolute_import, division, print_function)
+import tempfile
import unittest
+import sys
+import os
+import json
import mantid
from sans.gui_logic.presenter.settings_diagnostic_presenter import SettingsDiagnosticPresenter
from sans.test_helper.mock_objects import (create_run_tab_presenter_mock, FakeState, create_mock_settings_diagnostic_tab)
+if sys.version_info.major == 3:
+ from unittest import mock
+else:
+ import mock
class SettingsDiagnosticPresenterTest(unittest.TestCase):
@@ -33,6 +41,29 @@ class SettingsDiagnosticPresenterTest(unittest.TestCase):
presenter.on_update_rows()
self.assertTrue(view.update_rows.call_count == 2)
+ def test_that_can_save_out_state(self):
+ # Arrange
+ parent_presenter = create_run_tab_presenter_mock()
+ view = create_mock_settings_diagnostic_tab()
+ dummy_file_path = os.path.join(tempfile.gettempdir(), "sans_settings_diag_test.json")
+ print(dummy_file_path)
+ view.get_save_location = mock.MagicMock(return_value=dummy_file_path)
+ presenter = SettingsDiagnosticPresenter(parent_presenter)
+ presenter.set_view(view)
+
+ # Act
+ presenter.on_save_state()
+
+ # Assert
+ self.assertTrue(os.path.exists(dummy_file_path))
+
+ with open(dummy_file_path) as f:
+ data = json.load(f)
+ self.assertTrue(data == "dummy_state")
+
+ if os.path.exists(dummy_file_path):
+ os.remove(dummy_file_path)
+
if __name__ == '__main__':
unittest.main()
diff --git a/scripts/test/SANS/gui_logic/state_gui_model_test.py b/scripts/test/SANS/gui_logic/state_gui_model_test.py
index 4ed3f352ddbd6fa57dc4146f036a04681022ab9e..d50c9f74f2b4ae3a2dc9b77144d75a36e19f7783 100644
--- a/scripts/test/SANS/gui_logic/state_gui_model_test.py
+++ b/scripts/test/SANS/gui_logic/state_gui_model_test.py
@@ -299,14 +299,14 @@ class StateGuiModelTest(unittest.TestCase):
state_gui_model.transmission_monitor = 4
self.assertTrue(state_gui_model.transmission_monitor == 4)
- def test_that_transmission_m4_shift_default_is_empty(self):
+ def test_that_transmission_mn_shift_default_is_empty(self):
state_gui_model = StateGuiModel({"test": [1]})
- self.assertTrue(state_gui_model.transmission_m4_shift == "")
+ self.assertTrue(state_gui_model.transmission_mn_shift == "")
- def test_that_transmission_m4_shift_can_be_set(self):
+ def test_that_transmission_mn_shift_can_be_set(self):
state_gui_model = StateGuiModel({"test": [1]})
- state_gui_model.transmission_m4_shift = 234
- self.assertTrue(state_gui_model.transmission_m4_shift == 234)
+ state_gui_model.transmission_mn_shift = 234
+ self.assertTrue(state_gui_model.transmission_mn_shift == 234)
def test_that_default_for_adjustment_files_are_empty(self):
state_gui_model = StateGuiModel({"test": [1]})
@@ -486,6 +486,17 @@ class StateGuiModelTest(unittest.TestCase):
self.assertTrue(state_gui_model.radius_limit_min == 12.)
self.assertTrue(state_gui_model.radius_limit_max == 13.)
+ # ------------------------------------------------------------------------------------------------------------------
+ # Mask files
+ # ------------------------------------------------------------------------------------------------------------------
+ def test_that_mask_file_defaults_are_empty(self):
+ state_gui_model = StateGuiModel({"test": [1]})
+ self.assertTrue(state_gui_model.mask_files == [])
+
+ def test_that_mask_file_can_be_set(self):
+ state_gui_model = StateGuiModel({"test": [1]})
+ state_gui_model.mask_files = ["file.txt", "file2.txt"]
+ self.assertTrue(state_gui_model.mask_files == ["file.txt", "file2.txt"])
if __name__ == '__main__':
unittest.main()
diff --git a/scripts/test/SANS/gui_logic/table_model_test.py b/scripts/test/SANS/gui_logic/table_model_test.py
index 11569c6bb83ccbbfba2beed9e8038dfa86f93fdd..232b497917111305f0b2e93bb444f2ba9444a5d7 100644
--- a/scripts/test/SANS/gui_logic/table_model_test.py
+++ b/scripts/test/SANS/gui_logic/table_model_test.py
@@ -16,22 +16,23 @@ class TableModelTest(unittest.TestCase):
def test_that_raises_if_table_index_does_not_exist(self):
table_model = TableModel()
- table_index_model = TableIndexModel(0, "", "", "",
- "", "", "")
+ table_index_model = TableIndexModel(0, "", "", "", "", "", "",
+ "", "", "", "", "", "",)
table_model.add_table_entry(0, table_index_model)
self.assertRaises(ValueError, table_model.get_table_entry, 1)
def test_that_can_get_table_index_model_for_valid_index(self):
table_model = TableModel()
- table_index_model = TableIndexModel(0, "", "", "",
- "", "", "")
+ table_index_model = TableIndexModel(0, "", "", "", "", "", "",
+ "", "", "", "", "", "")
table_model.add_table_entry(0, table_index_model)
returned_model = table_model.get_table_entry(0)
self.assertTrue(returned_model.index == 0)
def test_that_can_set_the_options_column_model(self):
- table_index_model = TableIndexModel(0, "", "", "",
- "", "", "", "", "WavelengthMin=1, WavelengthMax=3, NotRegister2=1")
+ table_index_model = TableIndexModel(0, "", "", "", "", "", "",
+ "", "", "", "", "", "", "",
+ "WavelengthMin=1, WavelengthMax=3, NotRegister2=1")
options_column_model = table_index_model.options_column_model
options = options_column_model.get_options()
self.assertTrue(len(options) == 2)
@@ -39,7 +40,8 @@ class TableModelTest(unittest.TestCase):
self.assertTrue(options["WavelengthMax"] == 3.)
def test_that_raises_for_missing_equal(self):
- args = [0, "", "", "", "", "", "", "", "WavelengthMin=1, WavelengthMax=3, NotRegister2"]
+ args = [0, "", "", "", "", "", "", "", "", "", "", "", "", "",
+ "WavelengthMin=1, WavelengthMax=3, NotRegister2"]
self.assertRaises(ValueError, TableIndexModel, *args)
def _do_test_file_setting(self, func, prop):
@@ -48,7 +50,7 @@ class TableModelTest(unittest.TestCase):
try:
setattr(table_model, prop, "")
has_raised = False
- except:
+ except: # noqa
has_raised = True
self.assertFalse(has_raised)
diff --git a/scripts/test/SANS/state/move_test.py b/scripts/test/SANS/state/move_test.py
index 0bd63eb101b5deedb58d87292f2a571ffbc3626b..3ad2eb2f6e9614ddc26146924c910ea131d51218 100644
--- a/scripts/test/SANS/state/move_test.py
+++ b/scripts/test/SANS/state/move_test.py
@@ -83,7 +83,7 @@ class StateMoveWorkspaceSANS2DTest(unittest.TestCase):
self.assertTrue(state.lab_detector_x == 0.0)
self.assertTrue(state.lab_detector_z == 0.0)
self.assertTrue(state.monitor_names == {})
- self.assertTrue(state.monitor_4_offset == 0.0)
+ self.assertTrue(state.monitor_n_offset == 0.0)
class StateMoveWorkspaceLARMORTest(unittest.TestCase):
diff --git a/scripts/test/SANS/user_file/state_director_test.py b/scripts/test/SANS/user_file/state_director_test.py
index 1203e8f2d04bfe508cd7ff3f0b873676eb9d4c71..8145be8798cedb3e17bbc4d1cded56efbe29dc49 100644
--- a/scripts/test/SANS/user_file/state_director_test.py
+++ b/scripts/test/SANS/user_file/state_director_test.py
@@ -38,7 +38,7 @@ class UserFileStateDirectorISISTest(unittest.TestCase):
self.assertTrue(hab.rotation_correction == 0.0)
# SANS2D-specific
- self.assertTrue(move.monitor_4_offset == -70.0/1000.)
+ self.assertTrue(move.monitor_n_offset == -70.0/1000.)
def _assert_mask(self, state):
mask = state.mask
diff --git a/scripts/test/SANS/user_file/user_file_parser_test.py b/scripts/test/SANS/user_file/user_file_parser_test.py
index de90ac3f684655d4b31c97d2fba98851ed91ca3e..3b79a5b6aa84e3d8cb7b3291e69fd5b705af9a25 100644
--- a/scripts/test/SANS/user_file/user_file_parser_test.py
+++ b/scripts/test/SANS/user_file/user_file_parser_test.py
@@ -532,10 +532,11 @@ class TransParserTest(unittest.TestCase):
def test_that_trans_spec_shift_is_parsed_correctly(self):
valid_settings = {"TRANS/TRANSPEC=4/SHIFT=23": {TransId.spec_shift: 23, TransId.spec: 4},
- "TRANS/TRANSPEC =4/ SHIFT = 23": {TransId.spec_shift: 23, TransId.spec: 4}}
+ "TRANS/TRANSPEC =4/ SHIFT = 23": {TransId.spec_shift: 23, TransId.spec: 4},
+ "TRANS/TRANSPEC =6/ SHIFT = 23": {TransId.spec_shift: 23, TransId.spec: 6},
+ }
- invalid_settings = {"TRANS/TRANSPEC=6/SHIFT=23": RuntimeError,
- "TRANS/TRANSPEC=4/SHIFT/23": RuntimeError,
+ invalid_settings = {"TRANS/TRANSPEC=4/SHIFT/23": RuntimeError,
"TRANS/TRANSPEC=4/SHIFT 23": RuntimeError,
"TRANS/TRANSPEC/SHIFT=23": RuntimeError,
"TRANS/TRANSPEC=6/SHIFT=t": RuntimeError}