diff --git a/CMakeLists.txt b/CMakeLists.txt
index 22a52df7805fe911efee14cb0a47b910b09de88b..e6235e861f373acb6f7b2f8456fbf663df73b702 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -334,6 +334,12 @@ if ( ENABLE_CPACK )
list ( APPEND DEPENDS_LIST ", libhdf5-cpp-11,libnexus0v5 (>= 4.3),libjsoncpp1,libqscintilla2-12v5, libmuparser2v5,libqwtplot3d-qt4-0v5,libgsl2,liboce-foundation10,liboce-modeling10")
list (REMOVE_ITEM DEPENDS_LIST "libjsoncpp0 (>=0.7.0)," "libqscintilla2-11," "libmuparser2," "libnexus0 (>= 4.3)," "libqwtplot3d-qt4-0," "libgsl0ldbl," "liboce-foundation8,liboce-modeling8,")
endif()
+ # Change DEPENDS_LIST for python 3
+ if ( PYTHON_VERSION_MAJOR EQUAL 3 )
+ list (REMOVE_ITEM DEPENDS_LIST "python-nxs (>= 4.3)," "python-pycifrw (>= 4.2.1),")
+ string ( REPLACE "python-" "python3-" DEPENDS_LIST ${DEPENDS_LIST} )
+ string ( REPLACE "python3-qt4" "python3-pyqt4" DEPENDS_LIST ${DEPENDS_LIST} )
+ endif ()
# parse list to string required for deb package
string ( REPLACE ";" "" CPACK_DEBIAN_PACKAGE_DEPENDS ${DEPENDS_LIST} )
endif()
diff --git a/Framework/API/inc/MantidAPI/SpectrumInfo.h b/Framework/API/inc/MantidAPI/SpectrumInfo.h
index 33ca2667b52ef95c220ab7a3bd0f808c08e705b9..d735cdb118634690878c97fe98ee1a3359603c0f 100644
--- a/Framework/API/inc/MantidAPI/SpectrumInfo.h
+++ b/Framework/API/inc/MantidAPI/SpectrumInfo.h
@@ -84,6 +84,7 @@ public:
double twoTheta(const size_t index) const;
double signedTwoTheta(const size_t index) const;
Kernel::V3D position(const size_t index) const;
+ double phi(const size_t index) const;
bool hasDetectors(const size_t index) const;
bool hasUniqueDetector(const size_t index) const;
diff --git a/Framework/API/src/SpectrumInfo.cpp b/Framework/API/src/SpectrumInfo.cpp
index 43df010735abf5e4510e338b008dde68d6ad3884..f9f2f5ded3af6aaf5b5340f9ee0bf6a9a51929dc 100644
--- a/Framework/API/src/SpectrumInfo.cpp
+++ b/Framework/API/src/SpectrumInfo.cpp
@@ -132,6 +132,14 @@ Kernel::V3D SpectrumInfo::position(const size_t index) const {
return newPos / static_cast<double>(dets.size());
}
+/// Returns the phi angle (in radians) for the spectrum with given index
+double SpectrumInfo::phi(const size_t index) const {
+ if (isMonitor(index))
+ throw std::logic_error("phi is not defined for monitors.");
+ Kernel::V3D pos = position(index);
+ return std::atan2(pos[1], pos[0]);
+}
+
/// Returns true if the spectrum is associated with detectors in the instrument.
bool SpectrumInfo::hasDetectors(const size_t index) const {
// Workspaces can contain invalid detector IDs. Those IDs will be silently
diff --git a/Framework/API/test/SpectrumInfoTest.h b/Framework/API/test/SpectrumInfoTest.h
index 39f9b3efc49b356ee2a6e0f0ce926a5158061d1f..66abb5a85b36beae5cd67b6a7a395b2ad3a23853 100644
--- a/Framework/API/test/SpectrumInfoTest.h
+++ b/Framework/API/test/SpectrumInfoTest.h
@@ -163,6 +163,16 @@ public:
TS_ASSERT_THROWS(spectrumInfo.twoTheta(4), std::logic_error);
}
+ void test_phi() {
+ const auto &spectrumInfo = m_workspace.spectrumInfo();
+ TS_ASSERT_DELTA(spectrumInfo.phi(0), -1.570796, 1e-6);
+ TS_ASSERT_DELTA(spectrumInfo.phi(1), 0.0, 1e-6);
+ TS_ASSERT_DELTA(spectrumInfo.phi(2), 1.570796, 1e-6);
+ // Monitors
+ TS_ASSERT_THROWS(spectrumInfo.phi(3), std::logic_error);
+ TS_ASSERT_THROWS(spectrumInfo.phi(4), std::logic_error);
+ }
+
void test_twoTheta_grouped() {
const auto &spectrumInfo = m_workspace.spectrumInfo();
// Note that updating detector IDs like this is a trick that should not be
diff --git a/Framework/Algorithms/CMakeLists.txt b/Framework/Algorithms/CMakeLists.txt
index cfd3a9ae6c4eed9e9103535eaed947e1cbef9964..650ac27ae57cbf79685ad671daa485d9910cb3c6 100644
--- a/Framework/Algorithms/CMakeLists.txt
+++ b/Framework/Algorithms/CMakeLists.txt
@@ -90,6 +90,7 @@ set ( SRC_FILES
src/CylinderAbsorption.cpp
src/DeleteLog.cpp
src/DeleteWorkspace.cpp
+ src/DeleteWorkspaces.cpp
src/DetectorDiagnostic.cpp
src/DetectorEfficiencyCor.cpp
src/DetectorEfficiencyCorUser.cpp
@@ -404,6 +405,7 @@ set ( INC_FILES
inc/MantidAlgorithms/CylinderAbsorption.h
inc/MantidAlgorithms/DeleteLog.h
inc/MantidAlgorithms/DeleteWorkspace.h
+ inc/MantidAlgorithms/DeleteWorkspaces.h
inc/MantidAlgorithms/DetectorDiagnostic.h
inc/MantidAlgorithms/DetectorEfficiencyCor.h
inc/MantidAlgorithms/DetectorEfficiencyCorUser.h
@@ -731,6 +733,7 @@ set ( TEST_FILES
CylinderAbsorptionTest.h
DeleteLogTest.h
DeleteWorkspaceTest.h
+ DeleteWorkspacesTest.h
DetectorEfficiencyCorTest.h
DetectorEfficiencyCorUserTest.h
DetectorEfficiencyVariationTest.h
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/ConvertEmptyToTof.h b/Framework/Algorithms/inc/MantidAlgorithms/ConvertEmptyToTof.h
index 6baaec50d8e0d5696dcf2d28414979992319890a..26550a0dd1bbc08bc53885dc67634fdc91b9037c 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/ConvertEmptyToTof.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/ConvertEmptyToTof.h
@@ -71,8 +71,6 @@ private:
double calculateTOF(double, double);
bool areEqual(double, double, double);
- template <typename T>
- T getPropertyFromRun(API::MatrixWorkspace_const_sptr, const std::string &);
int roundUp(double);
std::vector<double> makeTofAxis(int, double, size_t, double);
void setTofInWS(const std::vector<double> &, API::MatrixWorkspace_sptr);
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/DeleteWorkspaces.h b/Framework/Algorithms/inc/MantidAlgorithms/DeleteWorkspaces.h
new file mode 100644
index 0000000000000000000000000000000000000000..5fb03e7629060c25327a550019f952636d83ece2
--- /dev/null
+++ b/Framework/Algorithms/inc/MantidAlgorithms/DeleteWorkspaces.h
@@ -0,0 +1,62 @@
+#ifndef MANTID_ALGORITHMS_DELETEWORKSPACES_H_
+#define MANTID_ALGORITHMS_DELETEWORKSPACES_H_
+
+//----------------------------------------------------------------------
+// Includes
+//----------------------------------------------------------------------
+#include "MantidAPI/Algorithm.h"
+
+namespace Mantid {
+namespace Algorithms {
+/**
+ A simple algorithm to remove multiple workspaces from the ADS.
+
+ @author Nick Draper, Tessella plc
+ @date 2017-02-17
+
+ 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 DLLExport DeleteWorkspaces : public API::Algorithm {
+public:
+ /// Algorithm's name
+ const std::string name() const override { return "DeleteWorkspaces"; }
+ /// Summary of algorithms purpose
+ const std::string summary() const override {
+ return "Removes a list of workspaces from memory.";
+ }
+
+ /// Algorithm's category for identification
+ const std::string category() const override { return "Utility\\Workspaces"; }
+ /// Algorithm's version for identification overriding a virtual method
+ int version() const override { return 1; }
+
+private:
+ /// Overridden init
+ void init() override;
+ /// Overridden exec
+ void exec() override;
+};
+
+} // namespace Algorithm
+} // namespace Mantid
+
+#endif // MANTID_ALGORITHMS_DELETEWORKSPACES_H_
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/MonteCarloAbsorption.h b/Framework/Algorithms/inc/MantidAlgorithms/MonteCarloAbsorption.h
index e1688dcb75bfb880d43f70d3af60a2f6b8aa32db..3e3527e5fdc04dae406af09091e83044d373d513 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/MonteCarloAbsorption.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/MonteCarloAbsorption.h
@@ -62,10 +62,10 @@ private:
void init() override;
void exec() override;
- API::MatrixWorkspace_sptr
+ API::MatrixWorkspace_uptr
doSimulation(const API::MatrixWorkspace &inputWS, size_t nevents, int nlambda,
int seed, const InterpolationOption &interpolateOpt);
- API::MatrixWorkspace_sptr
+ API::MatrixWorkspace_uptr
createOutputWorkspace(const API::MatrixWorkspace &inputWS) const;
std::unique_ptr<IBeamProfile>
createBeamProfile(const Geometry::Instrument &instrument,
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/NormaliseByCurrent.h b/Framework/Algorithms/inc/MantidAlgorithms/NormaliseByCurrent.h
index d2c32b2978e85e4a5251860e296f11d5af870c54..6bb98e6ed6d0ed2c423856b5d5103322d91a7619 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/NormaliseByCurrent.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/NormaliseByCurrent.h
@@ -71,8 +71,8 @@ private:
void init() override;
void exec() override;
// Extract the charge value from the logs.
- double
- extractCharge(boost::shared_ptr<Mantid::API::MatrixWorkspace> inputWS) const;
+ double extractCharge(boost::shared_ptr<Mantid::API::MatrixWorkspace> inputWS,
+ const bool integratePCharge) const;
};
} // namespace Algorithm
diff --git a/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionPositionCorrect2.h b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionPositionCorrect2.h
index e015c4d451ae3e334da49534a59faf3f8fd3fb98..eefd7fcaefdc01087548c037c1b3468de1097722 100644
--- a/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionPositionCorrect2.h
+++ b/Framework/Algorithms/inc/MantidAlgorithms/SpecularReflectionPositionCorrect2.h
@@ -42,6 +42,7 @@ public:
const std::string category() const override;
private:
+ std::map<std::string, std::string> validateInputs() override;
void init() override;
void exec() override;
};
diff --git a/Framework/Algorithms/src/ConvertEmptyToTof.cpp b/Framework/Algorithms/src/ConvertEmptyToTof.cpp
index 8480a2d3de549bbcba3cb0aee2084fad8ff307bf..630d2fdcbe756d3e5ed48cbb8d37031432200a33 100644
--- a/Framework/Algorithms/src/ConvertEmptyToTof.cpp
+++ b/Framework/Algorithms/src/ConvertEmptyToTof.cpp
@@ -95,7 +95,15 @@ void ConvertEmptyToTof::exec() {
int eppSpectrum = getProperty("ElasticPeakPositionSpectrum");
std::vector<double> tofAxis;
- double channelWidth = getPropertyFromRun<double>(m_inputWS, "channel_width");
+ double channelWidth{0.0};
+ if (m_inputWS->run().hasProperty("channel_width")) {
+ channelWidth =
+ m_inputWS->run().getPropertyValueAsType<double>("channel_width");
+ } else {
+ std::string mesg =
+ "No property channel_width found in the input workspace....";
+ throw std::runtime_error(mesg);
+ }
// If the ElasticPeakPosition and the ElasticPeakPositionSpectrum were
// specified
@@ -103,7 +111,16 @@ void ConvertEmptyToTof::exec() {
g_log.information("Using the specified ElasticPeakPosition and "
"ElasticPeakPositionSpectrum");
- double wavelength = getPropertyFromRun<double>(m_inputWS, "wavelength");
+ double wavelength{0.0};
+ if (m_inputWS->run().hasProperty("wavelength")) {
+ wavelength =
+ m_inputWS->run().getPropertyValueAsType<double>("wavelength");
+ } else {
+ std::string mesg =
+ "No property wavelength found in the input workspace....";
+ throw std::runtime_error(mesg);
+ }
+
double l1 = m_spectrumInfo->l1();
double l2 = m_spectrumInfo->l2(eppSpectrum);
double epTof =
@@ -381,7 +398,14 @@ std::pair<int, double>
ConvertEmptyToTof::findAverageEppAndEpTof(const std::map<int, int> &eppMap) {
double l1 = m_spectrumInfo->l1();
- double wavelength = getPropertyFromRun<double>(m_inputWS, "wavelength");
+ double wavelength{0.0};
+ if (m_inputWS->run().hasProperty("wavelength")) {
+ wavelength = m_inputWS->run().getPropertyValueAsType<double>("wavelength");
+ } else {
+ std::string mesg =
+ "No property wavelength found in the input workspace....";
+ throw std::runtime_error(mesg);
+ }
std::vector<double> epTofList;
std::vector<int> eppList;
@@ -439,19 +463,6 @@ bool ConvertEmptyToTof::areEqual(double a, double b, double epsilon) {
return fabs(a - b) < epsilon;
}
-template <typename T>
-T ConvertEmptyToTof::getPropertyFromRun(API::MatrixWorkspace_const_sptr inputWS,
- const std::string &propertyName) {
- if (inputWS->run().hasProperty(propertyName)) {
- Kernel::Property *prop = inputWS->run().getProperty(propertyName);
- return boost::lexical_cast<T>(prop->value());
- } else {
- std::string mesg =
- "No '" + propertyName + "' property found in the input workspace....";
- throw std::runtime_error(mesg);
- }
-}
-
int ConvertEmptyToTof::roundUp(double value) {
return static_cast<int>(std::floor(value + 0.5));
}
diff --git a/Framework/Algorithms/src/CorrectTOFAxis.cpp b/Framework/Algorithms/src/CorrectTOFAxis.cpp
index 1e324ac145f26a626bb002c77abb2cc2e9f269d4..56a3d0cfa7deeb351baad7b18d8115bd036c7f69 100644
--- a/Framework/Algorithms/src/CorrectTOFAxis.cpp
+++ b/Framework/Algorithms/src/CorrectTOFAxis.cpp
@@ -57,6 +57,7 @@ const static std::string EPP_TABLE("EPPTable");
const static std::string FIXED_ENERGY("EFixed");
const static std::string INDEX_TYPE("IndexType");
const static std::string INPUT_WORKSPACE("InputWorkspace");
+const static std::string L2("L2");
const static std::string OUTPUT_WORKSPACE("OutputWorkspace");
const static std::string REFERENCE_SPECTRA("ReferenceSpectra");
const static std::string REFERENCE_WORKSPACE("ReferenceWorkspace");
@@ -201,6 +202,8 @@ void CorrectTOFAxis::init() {
PropertyNames::FIXED_ENERGY, EMPTY_DBL(), mustBePositiveDouble,
"Incident energy if the 'EI' sample log is not present/incorrect.",
Direction::Input);
+ declareProperty(PropertyNames::L2, EMPTY_DBL(), mustBePositiveDouble,
+ "Sample to detector distance, in meters.", Direction::Input);
}
/** Validate the algorithm's input properties.
@@ -241,9 +244,18 @@ std::map<std::string, std::string> CorrectTOFAxis::validateInputs() {
// If no reference workspace, we either use a predefined elastic channel
// or EPP tables to declare the elastic TOF.
const int elasticBinIndex = getProperty(PropertyNames::ELASTIC_BIN_INDEX);
+ const std::vector<int> spectra =
+ getProperty(PropertyNames::REFERENCE_SPECTRA);
+ const double l2 = getProperty(PropertyNames::L2);
if (elasticBinIndex != EMPTY_INT()) {
const std::string indexType = getProperty(PropertyNames::INDEX_TYPE);
m_elasticBinIndex = toWorkspaceIndex(elasticBinIndex, indexType, m_inputWs);
+ if (spectra.empty() && l2 == EMPTY_DBL()) {
+ issues[PropertyNames::REFERENCE_SPECTRA] =
+ "Either " + PropertyNames::REFERENCE_SPECTRA + " or " +
+ PropertyNames::L2 + " has to be specified.";
+ return issues;
+ }
} else {
m_eppTable = getProperty(PropertyNames::EPP_TABLE);
if (!m_eppTable) {
@@ -261,12 +273,11 @@ std::map<std::string, std::string> CorrectTOFAxis::validateInputs() {
"EPP table doesn't contain the expected columns.";
return issues;
}
- }
- const std::vector<int> spectra =
- getProperty(PropertyNames::REFERENCE_SPECTRA);
- if (spectra.empty()) {
- issues[PropertyNames::REFERENCE_SPECTRA] = "No spectra selected.";
- return issues;
+ if (spectra.empty()) {
+ issues[PropertyNames::REFERENCE_SPECTRA] =
+ "No reference spectra selected.";
+ return issues;
+ }
}
m_workspaceIndices = referenceWorkspaceIndices();
std::sort(m_workspaceIndices.begin(), m_workspaceIndices.end());
@@ -370,7 +381,8 @@ void CorrectTOFAxis::correctManually(API::MatrixWorkspace_sptr outputWs) {
averageL2AndEPP(spectrumInfo, l2, epp);
} else {
epp = m_inputWs->points(0)[m_elasticBinIndex];
- l2 = averageL2(spectrumInfo);
+ const double l2Property = getProperty(PropertyNames::L2);
+ l2 = l2Property == EMPTY_DBL() ? averageL2(spectrumInfo) : l2Property;
}
double Ei = getProperty(PropertyNames::FIXED_ENERGY);
if (Ei == EMPTY_DBL()) {
diff --git a/Framework/Algorithms/src/DeleteWorkspaces.cpp b/Framework/Algorithms/src/DeleteWorkspaces.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..9a3ad4af6c816f4fffd6c5a3113305d4ae038d95
--- /dev/null
+++ b/Framework/Algorithms/src/DeleteWorkspaces.cpp
@@ -0,0 +1,39 @@
+#include "MantidAlgorithms/DeleteWorkspaces.h"
+#include "MantidAPI/ADSValidator.h"
+#include "MantidKernel/ArrayProperty.h"
+
+namespace Mantid {
+namespace Algorithms {
+
+// Register the algorithm
+DECLARE_ALGORITHM(DeleteWorkspaces)
+
+/// Initialize the algorithm properties
+void DeleteWorkspaces::init() {
+ declareProperty(Kernel::make_unique<Kernel::ArrayProperty<std::string>>(
+ "WorkspaceList", boost::make_shared<API::ADSValidator>()),
+ "A list of the workspaces to delete.");
+}
+
+/// Execute the algorithm
+void DeleteWorkspaces::exec() {
+ const std::vector<std::string> wsNames = getProperty("WorkspaceList");
+
+ // Set up progress reporting
+ API::Progress prog(this, 0.0, 1.0, wsNames.size());
+
+ for (auto wsName : wsNames) {
+ // run delete workspace as a child algorithm
+ auto deleteAlg = createChildAlgorithm("DeleteWorkspace", -1, -1, false);
+ deleteAlg->initialize();
+
+ deleteAlg->setPropertyValue("Workspace", wsName);
+ bool success = deleteAlg->execute();
+ if (!deleteAlg->isExecuted() || !success) {
+ g_log.error() << "Failed to delete wsName. \n";
+ }
+ prog.report();
+ }
+}
+}
+}
diff --git a/Framework/Algorithms/src/MonteCarloAbsorption.cpp b/Framework/Algorithms/src/MonteCarloAbsorption.cpp
index 31fc5327685cf26a3b09c35226c9a1618e693982..5cc4a0b01c069ffb7ff0b28dee8c6ba51ecb4802 100644
--- a/Framework/Algorithms/src/MonteCarloAbsorption.cpp
+++ b/Framework/Algorithms/src/MonteCarloAbsorption.cpp
@@ -9,6 +9,8 @@
#include "MantidAPI/WorkspaceUnitValidator.h"
#include "MantidAlgorithms/SampleCorrections/MCAbsorptionStrategy.h"
#include "MantidAlgorithms/SampleCorrections/RectangularBeamProfile.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidDataObjects/WorkspaceCreation.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidGeometry/Instrument/SampleEnvironment.h"
@@ -28,6 +30,7 @@ using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
using Mantid::HistogramData::HistogramX;
using Mantid::HistogramData::interpolateLinearInplace;
+using Mantid::DataObjects::Workspace2D;
namespace PhysicalConstants = Mantid::PhysicalConstants;
/// @cond
@@ -121,7 +124,7 @@ void MonteCarloAbsorption::exec() {
auto outputWS = doSimulation(*inputWS, static_cast<size_t>(nevents), nlambda,
seed, interpolateOpt);
- setProperty("OutputWorkspace", outputWS);
+ setProperty("OutputWorkspace", std::move(outputWS));
}
/**
@@ -134,7 +137,7 @@ void MonteCarloAbsorption::exec() {
* @param interpolateOpt Method of interpolation to compute unsimulated points
* @return A new workspace containing the correction factors & errors
*/
-MatrixWorkspace_sptr
+MatrixWorkspace_uptr
MonteCarloAbsorption::doSimulation(const MatrixWorkspace &inputWS,
size_t nevents, int nlambda, int seed,
const InterpolationOption &interpolateOpt) {
@@ -220,9 +223,9 @@ MonteCarloAbsorption::doSimulation(const MatrixWorkspace &inputWS,
return outputWS;
}
-MatrixWorkspace_sptr MonteCarloAbsorption::createOutputWorkspace(
+MatrixWorkspace_uptr MonteCarloAbsorption::createOutputWorkspace(
const MatrixWorkspace &inputWS) const {
- MatrixWorkspace_sptr outputWS = inputWS.clone();
+ MatrixWorkspace_uptr outputWS = DataObjects::create<Workspace2D>(inputWS);
// The algorithm computes the signal values at bin centres so they should
// be treated as a distribution
outputWS->setDistribution(true);
diff --git a/Framework/Algorithms/src/NormaliseByCurrent.cpp b/Framework/Algorithms/src/NormaliseByCurrent.cpp
index 628a78f0d648507faf4f82e8da4cb1815d3f673e..3cd4b2f1e18a7a24ee071cff4685096db178e973 100644
--- a/Framework/Algorithms/src/NormaliseByCurrent.cpp
+++ b/Framework/Algorithms/src/NormaliseByCurrent.cpp
@@ -23,6 +23,10 @@ void NormaliseByCurrent::init() {
declareProperty(make_unique<WorkspaceProperty<MatrixWorkspace>>(
"OutputWorkspace", "", Direction::Output),
"Name of the output workspace");
+ declareProperty(Kernel::make_unique<Kernel::PropertyWithValue<bool>>(
+ "RecalculatePCharge", false, Kernel::Direction::Input),
+ "Re-integrates the proton charge. This will modify the "
+ "gd_prtn_chrg. Does nothing for multi-period data");
}
/**
@@ -30,13 +34,15 @@ void NormaliseByCurrent::init() {
* single period or multi-period data.
*
* @param inputWS :: The input workspace to extract the log details from.
- *
+ * @param integratePCharge :: recalculate the integrated proton charge if true
+
* @throws Exception::NotFoundError, std::domain_error or
* std::runtime_error if the charge value(s) are not set in the
* workspace logs or if the values are invalid (0)
*/
double NormaliseByCurrent::extractCharge(
- boost::shared_ptr<Mantid::API::MatrixWorkspace> inputWS) const {
+ boost::shared_ptr<Mantid::API::MatrixWorkspace> inputWS,
+ const bool integratePCharge) const {
// Get the good proton charge and check it's valid
double charge(-1.0);
const Run &run = inputWS->run();
@@ -82,6 +88,9 @@ double NormaliseByCurrent::extractCharge(
} else {
try {
+ if (integratePCharge) {
+ inputWS->run().integrateProtonCharge();
+ }
charge = inputWS->run().getProtonCharge();
} catch (Exception::NotFoundError &) {
g_log.error() << "The proton charge is not set for the run attached to "
@@ -101,9 +110,10 @@ void NormaliseByCurrent::exec() {
// Get the input workspace
MatrixWorkspace_sptr inputWS = getProperty("InputWorkspace");
MatrixWorkspace_sptr outputWS = getProperty("OutputWorkspace");
+ const bool integratePCharge = getProperty("RecalculatePCharge");
// Get the good proton charge and check it's valid
- double charge = extractCharge(inputWS);
+ double charge = extractCharge(inputWS, integratePCharge);
g_log.information() << "Normalisation current: " << charge << " uamps\n";
diff --git a/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp b/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
index 390a518b096e6525c3e19bbb98638f528f183f16..5aa995141a2afc32c44c8500bc2175b313592a78 100644
--- a/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
+++ b/Framework/Algorithms/src/ReflectometryReductionOneAuto2.cpp
@@ -3,8 +3,10 @@
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidAlgorithms/BoostOptionalToAlgorithmProperty.h"
#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/CompositeValidator.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/make_unique.h"
+#include "MantidKernel/MandatoryValidator.h"
namespace Mantid {
namespace Algorithms {
@@ -130,6 +132,20 @@ void ReflectometryReductionOneAuto2::init() {
declareProperty("ThetaIn", Mantid::EMPTY_DBL(), "Angle in degrees",
Direction::Input);
+ // Detector position correction type
+ const std::vector<std::string> correctionType{"VerticalShift",
+ "RotateAroundSample"};
+ auto correctionTypeValidator = boost::make_shared<CompositeValidator>();
+ correctionTypeValidator->add(
+ boost::make_shared<MandatoryValidator<std::string>>());
+ correctionTypeValidator->add(
+ boost::make_shared<StringListValidator>(correctionType));
+ declareProperty(
+ "DetectorCorrectionType", correctionType[0], correctionTypeValidator,
+ "Whether detectors should be shifted vertically or rotated around the "
+ "sample position.",
+ Direction::Input);
+
// Wavelength limits
declareProperty("WavelengthMin", Mantid::EMPTY_DBL(),
"Wavelength Min in angstroms", Direction::Input);
@@ -304,7 +320,8 @@ std::vector<std::string> ReflectometryReductionOneAuto2::getDetectorNames(
return detectors;
}
-/** Correct an instrument component vertically.
+/** Correct an instrument component by shifting it vertically or
+* rotating it around the sample.
*
* @param instructions :: processing instructions defining the detectors of
* interest
@@ -326,6 +343,7 @@ MatrixWorkspace_sptr ReflectometryReductionOneAuto2::correctDetectorPositions(
detectorsOfInterest.end());
const double theta = getProperty("ThetaIn");
+ const std::string correctionType = getProperty("DetectorCorrectionType");
MatrixWorkspace_sptr corrected = inputWS;
@@ -334,6 +352,7 @@ MatrixWorkspace_sptr ReflectometryReductionOneAuto2::correctDetectorPositions(
createChildAlgorithm("SpecularReflectionPositionCorrect");
alg->setProperty("InputWorkspace", corrected);
alg->setProperty("TwoTheta", theta * 2);
+ alg->setProperty("DetectorCorrectionType", correctionType);
alg->setProperty("DetectorComponentName", detector);
alg->execute();
corrected = alg->getProperty("OutputWorkspace");
diff --git a/Framework/Algorithms/src/SpecularReflectionPositionCorrect2.cpp b/Framework/Algorithms/src/SpecularReflectionPositionCorrect2.cpp
index c45b91c16a5d11ed0481be66c8f2e467bad7b0e7..3ce1dd97dbdfbab293ec4c47b9ccc0ef57137a70 100644
--- a/Framework/Algorithms/src/SpecularReflectionPositionCorrect2.cpp
+++ b/Framework/Algorithms/src/SpecularReflectionPositionCorrect2.cpp
@@ -4,6 +4,7 @@
#include "MantidGeometry/Instrument/ReferenceFrame.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/CompositeValidator.h"
+#include "MantidKernel/ListValidator.h"
#include "MantidKernel/MandatoryValidator.h"
using namespace Mantid::API;
@@ -24,7 +25,7 @@ const std::string SpecularReflectionPositionCorrect2::name() const {
/// Algorithm's summary. @see Algorithm::summary
const std::string SpecularReflectionPositionCorrect2::summary() const {
- return "Corrects a detector component vertically based on TwoTheta.";
+ return "Corrects a detector component's position based on TwoTheta.";
}
/// Algorithm's version for identification. @see Algorithm::version
@@ -55,6 +56,19 @@ void SpecularReflectionPositionCorrect2::init() {
thetaValidator, Direction::Input),
"Angle used to correct the detector component.");
+ const std::vector<std::string> correctionType{"VerticalShift",
+ "RotateAroundSample"};
+ auto correctionTypeValidator = boost::make_shared<CompositeValidator>();
+ correctionTypeValidator->add(
+ boost::make_shared<MandatoryValidator<std::string>>());
+ correctionTypeValidator->add(
+ boost::make_shared<StringListValidator>(correctionType));
+ declareProperty(
+ "DetectorCorrectionType", correctionType[0], correctionTypeValidator,
+ "Whether detectors should be shifted vertically or rotated around the "
+ "sample position.",
+ Direction::Input);
+
declareProperty(
Mantid::Kernel::make_unique<PropertyWithValue<std::string>>(
"DetectorComponentName", "",
@@ -73,6 +87,29 @@ void SpecularReflectionPositionCorrect2::init() {
"An output workspace.");
}
+/** Validate inputs
+*/
+std::map<std::string, std::string>
+SpecularReflectionPositionCorrect2::validateInputs() {
+
+ std::map<std::string, std::string> results;
+
+ MatrixWorkspace_const_sptr inputWS = getProperty("InputWorkspace");
+ auto inst = inputWS->getInstrument();
+
+ // Detector
+ const std::string detectorName = getProperty("DetectorComponentName");
+ if (!inst->getComponentByName(detectorName))
+ results["DetectorComponentName"] = "Detector component not found.";
+
+ // Sample
+ const std::string sampleName = getProperty("SampleComponentName");
+ if (!inst->getComponentByName(sampleName))
+ results["SampleComponentName"] = "Sample component not found.";
+
+ return results;
+}
+
//----------------------------------------------------------------------------------------------
/** Execute the algorithm.
*/
@@ -103,6 +140,9 @@ void SpecularReflectionPositionCorrect2::exec() {
IComponent_const_sptr sample = inst->getComponentByName(sampleName);
const V3D samplePosition = sample->getPos();
+ // Type of movement (vertical shift or rotation around the sample)
+ const std::string correctionType = getProperty("DetectorCorrectionType");
+
// Sample-to-detector
const V3D sampleToDetector = detectorPosition - samplePosition;
// Reference frame
@@ -111,19 +151,42 @@ void SpecularReflectionPositionCorrect2::exec() {
auto horizontalAxis = referenceFrame->pointingHorizontalAxis();
auto upAxis = referenceFrame->pointingUpAxis();
- // We just recalculate beam offset.
- const double beamOffset =
+ // Get the offset from the sample in the beam direction
+ double beamOffset = 0.0;
+ const double beamOffsetOld =
sampleToDetector.scalar_prod(referenceFrame->vecPointingAlongBeam());
- // We only correct vertical position
+
+ if (correctionType == "VerticalShift") {
+ // Only shifting vertically, so the beam offset remains the same
+ beamOffset = beamOffsetOld;
+ } else if (correctionType == "RotateAroundSample") {
+ // The radius for the rotation is the distance from the sample to
+ // the detector in the Beam-Vertical plane
+ const double upOffsetOld =
+ sampleToDetector.scalar_prod(referenceFrame->vecPointingUp());
+ const double radius =
+ std::sqrt(beamOffsetOld * beamOffsetOld + upOffsetOld * upOffsetOld);
+ beamOffset = radius * std::cos(twoThetaInRad);
+ } else {
+ // Shouldn't get here unless there's been a coding error
+ std::ostringstream message;
+ message << "Invalid correction type '" << correctionType;
+ throw std::runtime_error(message.str());
+ }
+
+ // Calculate the offset in the vertical direction, and the total
+ // offset in the beam direction
const double upOffset = (beamOffset * std::tan(twoThetaInRad));
+ const double beamOffsetFromOrigin =
+ beamOffset +
+ samplePosition.scalar_prod(referenceFrame->vecPointingAlongBeam());
auto moveAlg = createChildAlgorithm("MoveInstrumentComponent");
moveAlg->initialize();
moveAlg->setProperty("Workspace", outWS);
moveAlg->setProperty("ComponentName", detectorName);
moveAlg->setProperty("RelativePosition", false);
- moveAlg->setProperty(beamAxis, detectorPosition.scalar_prod(
- referenceFrame->vecPointingAlongBeam()));
+ moveAlg->setProperty(beamAxis, beamOffsetFromOrigin);
moveAlg->setProperty(horizontalAxis, 0.0);
moveAlg->setProperty(upAxis, upOffset);
moveAlg->execute();
diff --git a/Framework/Algorithms/test/CorrectTOFAxisTest.h b/Framework/Algorithms/test/CorrectTOFAxisTest.h
index 1988711ac22238d6a4bd030a6405aef70bea124e..60e08d9b2397edde7fd6cc8c48938b2d85c21002 100644
--- a/Framework/Algorithms/test/CorrectTOFAxisTest.h
+++ b/Framework/Algorithms/test/CorrectTOFAxisTest.h
@@ -96,7 +96,39 @@ public:
assertTOFShift(outputWs, inputWs, actualEi, actualWavelength, TOFShift);
}
- void test_CorrectionUsingElasticBinIndex() {
+ void test_CorrectionUsingElasticBinIndexAndL2() {
+ const size_t blocksize = 512;
+ const double x0 = 1402;
+ const double dx = 0.23;
+ const size_t eppIndex = blocksize / 3;
+ const double eppTOF = x0 + static_cast<double>(eppIndex) * dx + dx / 2;
+ auto inputWs = createInputWorkspace(blocksize, x0, dx, eppTOF);
+ const double length = flightLengthIN4(inputWs);
+ const double nominalEi = incidentEnergy(eppTOF, length);
+ inputWs->mutableRun().addProperty("EI", nominalEi, true);
+ const double nominalWavelength = wavelength(nominalEi, length);
+ inputWs->mutableRun().addProperty("wavelength", nominalWavelength, true);
+ const double actualEi = 1.05 * nominalEi;
+ const double actualElasticTOF = tof(actualEi, length);
+ const double actualWavelength = wavelength(actualEi, length);
+ const double TOFShift = actualElasticTOF - eppTOF;
+ auto alg = createCorrectTOFAxisAlgorithm();
+ TS_ASSERT_THROWS_NOTHING(alg->setProperty("InputWorkspace", inputWs))
+ TS_ASSERT_THROWS_NOTHING(
+ alg->setPropertyValue("OutputWorkspace", "_unused_for_child"))
+ TS_ASSERT_THROWS_NOTHING(
+ alg->setProperty("ElasticBinIndex", static_cast<int>(eppIndex)))
+ TS_ASSERT_THROWS_NOTHING(alg->setProperty("EFixed", actualEi))
+ const double l2 = inputWs->spectrumInfo().l2(13);
+ TS_ASSERT_THROWS_NOTHING(alg->setProperty("L2", l2))
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ TS_ASSERT(alg->isExecuted());
+
+ MatrixWorkspace_sptr outputWs = alg->getProperty("OutputWorkspace");
+ assertTOFShift(outputWs, inputWs, actualEi, actualWavelength, TOFShift);
+ }
+
+ void test_CorrectionUsingElasticBinIndexAndReferenceSpectra() {
const size_t blocksize = 512;
const double x0 = 1402;
const double dx = 0.23;
diff --git a/Framework/Algorithms/test/DeleteWorkspacesTest.h b/Framework/Algorithms/test/DeleteWorkspacesTest.h
new file mode 100644
index 0000000000000000000000000000000000000000..4d47734dee3d701921caba4c922a737884dd84f8
--- /dev/null
+++ b/Framework/Algorithms/test/DeleteWorkspacesTest.h
@@ -0,0 +1,93 @@
+//------------------------------------------------------------------------------
+// Includes
+//------------------------------------------------------------------------------
+#include "MantidAlgorithms/DeleteWorkspaces.h"
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+#include "MantidAPI/WorkspaceGroup.h"
+
+#include <cxxtest/TestSuite.h>
+
+class DeleteWorkspacesTest : public CxxTest::TestSuite {
+
+public:
+ void test_That_An_Existing_Workspace_Is_Deleted_After_Execution() {
+ using namespace Mantid::API;
+ using namespace Mantid::DataObjects;
+
+ // Need a test workspace registered within the ADS
+ const int yLength = 20;
+ AnalysisDataServiceImpl &dataStore = AnalysisDataService::Instance();
+ const size_t storeSizeAtStart(dataStore.size());
+ const std::string testName1 = "DeleteWorkspaces_testWS1";
+ const std::string testName2 = "DeleteWorkspaces_testWS2";
+ const std::string testName3 = "DeleteWorkspaces_testWS3";
+ createAndStoreWorspace(testName1);
+ createAndStoreWorspace(testName2);
+ createAndStoreWorspace(testName3, yLength);
+ TS_ASSERT_EQUALS(dataStore.size(), storeSizeAtStart + 3);
+
+ Mantid::Algorithms::DeleteWorkspaces alg;
+ alg.initialize();
+ alg.setPropertyValue("WorkspaceList", testName1 + ", " + testName2);
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.execute());
+ TS_ASSERT(alg.isExecuted());
+
+ TS_ASSERT_EQUALS(dataStore.size(), storeSizeAtStart + 1);
+ // Check that what is left is correct
+ MatrixWorkspace_sptr wsRemain =
+ boost::dynamic_pointer_cast<MatrixWorkspace>(
+ dataStore.retrieve(testName3));
+ TS_ASSERT(wsRemain);
+ if (!wsRemain)
+ TS_FAIL("Unable to retrieve remaining workspace.");
+
+ TS_ASSERT_EQUALS(wsRemain->getNumberHistograms(), yLength);
+ // Tidy up after test
+ dataStore.remove(testName3);
+ }
+
+ void test_deleting_group_deletes_its_members() {
+ using namespace Mantid::API;
+ using namespace Mantid::DataObjects;
+
+ // Need a test workspace registered within the ADS
+ AnalysisDataServiceImpl &dataStore = AnalysisDataService::Instance();
+ dataStore.clear();
+
+ const std::string testName1 = "DeleteWorkspaces_testWS1";
+ const std::string testName2 = "DeleteWorkspaces_testWS2";
+
+ createAndStoreWorspace(testName1);
+ createAndStoreWorspace(testName2);
+
+ auto group = WorkspaceGroup_sptr(new WorkspaceGroup);
+ dataStore.add("group", group);
+ group->add(testName1);
+ group->add(testName2);
+
+ TS_ASSERT_EQUALS(dataStore.size(), 3);
+
+ Mantid::Algorithms::DeleteWorkspaces alg;
+ alg.initialize();
+ alg.setPropertyValue("WorkspaceList", "group");
+ alg.setRethrows(true);
+ TS_ASSERT_THROWS_NOTHING(alg.execute());
+ TS_ASSERT(alg.isExecuted());
+
+ TS_ASSERT_EQUALS(dataStore.size(), 0);
+
+ dataStore.clear();
+ }
+
+ void createAndStoreWorspace(std::string name, int ylength = 10) {
+ using namespace Mantid::API;
+ using namespace Mantid::DataObjects;
+
+ // create a test workspace registered within the ADS
+ Workspace2D_sptr testWS1 =
+ WorkspaceCreationHelper::create2DWorkspace(ylength, 10);
+ AnalysisDataServiceImpl &dataStore = AnalysisDataService::Instance();
+ dataStore.add(name, testWS1);
+ }
+};
diff --git a/Framework/Algorithms/test/MonteCarloAbsorptionTest.h b/Framework/Algorithms/test/MonteCarloAbsorptionTest.h
index 702ff7361a4615842e9e74fa7f0f8e3014755aa6..318326d74a6f6b09665825bbdb10a1d9a294fbbb 100644
--- a/Framework/Algorithms/test/MonteCarloAbsorptionTest.h
+++ b/Framework/Algorithms/test/MonteCarloAbsorptionTest.h
@@ -28,38 +28,23 @@ struct TestWorkspaceDescriptor {
double beamHeight;
};
-Mantid::API::MatrixWorkspace_sptr
-setUpWS(const TestWorkspaceDescriptor &wsProps) {
+void addSample(Mantid::API::MatrixWorkspace_sptr ws,
+ const Environment environment, double beamWidth = 0.,
+ double beamHeight = 0.) {
using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
namespace PhysicalConstants = Mantid::PhysicalConstants;
- auto space = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(
- wsProps.nspectra, wsProps.nbins);
- // Needs to have units of wavelength
- space->getAxis(0)->unit() = UnitFactory::Instance().create("Wavelength");
- auto inst = space->getInstrument();
- auto &pmap = space->instrumentParameters();
-
- if (wsProps.emode == DeltaEMode::Direct) {
- pmap.addString(inst.get(), "deltaE-mode", "Direct");
- const double efixed(12.0);
- space->mutableRun().addProperty<double>("Ei", efixed);
- } else if (wsProps.emode == DeltaEMode::Indirect) {
- const double efixed(1.845);
- pmap.addString(inst.get(), "deltaE-mode", "Indirect");
- pmap.addDouble(inst.get(), "Efixed", efixed);
- }
// Define a sample shape
Object_sptr sampleShape =
ComponentCreationHelper::createSphere(0.1, V3D(), "sample-sphere");
// And a material
sampleShape->setMaterial(
Material("Vanadium", PhysicalConstants::getNeutronAtom(23, 0), 0.072));
- space->mutableSample().setShape(*sampleShape);
+ ws->mutableSample().setShape(*sampleShape);
- if (wsProps.sampleEnviron == Environment::SamplePlusContainer) {
+ if (environment == Environment::SamplePlusContainer) {
const std::string id("container");
const double radius(0.11);
const double height(0.03);
@@ -73,12 +58,39 @@ setUpWS(const TestWorkspaceDescriptor &wsProps) {
can->setMaterial(Material("CanMaterial",
PhysicalConstants::getNeutronAtom(26, 0), 0.01));
SampleEnvironment *env = new SampleEnvironment("can", can);
- space->mutableSample().setEnvironment(env);
- } else if (wsProps.sampleEnviron == Environment::UserBeamSize) {
+ ws->mutableSample().setEnvironment(env);
+ } else if (environment == Environment::UserBeamSize) {
+ auto inst = ws->getInstrument();
+ auto &pmap = ws->instrumentParameters();
auto source = inst->getSource();
- pmap.addDouble(source->getComponentID(), "beam-width", wsProps.beamWidth);
- pmap.addDouble(source->getComponentID(), "beam-height", wsProps.beamHeight);
+ pmap.addDouble(source->getComponentID(), "beam-width", beamWidth);
+ pmap.addDouble(source->getComponentID(), "beam-height", beamHeight);
}
+}
+
+Mantid::API::MatrixWorkspace_sptr
+setUpWS(const TestWorkspaceDescriptor &wsProps) {
+ using namespace Mantid::Kernel;
+
+ auto space = WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(
+ wsProps.nspectra, wsProps.nbins);
+ // Needs to have units of wavelength
+ space->getAxis(0)->unit() = UnitFactory::Instance().create("Wavelength");
+ auto inst = space->getInstrument();
+ auto &pmap = space->instrumentParameters();
+
+ if (wsProps.emode == DeltaEMode::Direct) {
+ pmap.addString(inst.get(), "deltaE-mode", "Direct");
+ const double efixed(12.0);
+ space->mutableRun().addProperty<double>("Ei", efixed);
+ } else if (wsProps.emode == DeltaEMode::Indirect) {
+ const double efixed(1.845);
+ pmap.addString(inst.get(), "deltaE-mode", "Indirect");
+ pmap.addDouble(inst.get(), "Efixed", efixed);
+ }
+
+ addSample(space, wsProps.sampleEnviron, wsProps.beamWidth,
+ wsProps.beamHeight);
return space;
}
}
@@ -229,6 +241,20 @@ public:
TS_ASSERT_THROWS(mcabs->execute(), std::invalid_argument);
}
+ void test_event_workspace() {
+ auto inputWS =
+ WorkspaceCreationHelper::createEventWorkspaceWithFullInstrument(5, 2,
+ true);
+ inputWS->getAxis(0)->unit() =
+ Mantid::Kernel::UnitFactory::Instance().create("Wavelength");
+ addSample(inputWS, Environment::SampleOnly);
+
+ auto mcabs = createAlgorithm();
+ TS_ASSERT_THROWS_NOTHING(mcabs->setProperty("InputWorkspace", inputWS));
+ TS_ASSERT(mcabs->execute());
+ // only checking that it can successfully execute
+ }
+
private:
Mantid::API::MatrixWorkspace_const_sptr
runAlgorithm(const TestWorkspaceDescriptor &wsProps, int nlambda = -1,
diff --git a/Framework/Algorithms/test/NormaliseByCurrentTest.h b/Framework/Algorithms/test/NormaliseByCurrentTest.h
index aec6785889a70e7514d372e424c528d5fae4f41b..aa66b5ada0f28833f7b78c4052a781adb8530186 100644
--- a/Framework/Algorithms/test/NormaliseByCurrentTest.h
+++ b/Framework/Algorithms/test/NormaliseByCurrentTest.h
@@ -10,6 +10,7 @@
#include "MantidAlgorithms/NormaliseByCurrent.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/UnitFactory.h"
using namespace Mantid;
@@ -21,7 +22,8 @@ using namespace Mantid::DataObjects;
namespace {
MatrixWorkspace_const_sptr doTest(MatrixWorkspace_sptr inWS,
std::string wsNameOut, double expectedY,
- double expectedE, bool performance = false) {
+ double expectedE, bool calcPcharge = false,
+ bool performance = false) {
NormaliseByCurrent norm1;
if (!norm1.isInitialized())
norm1.initialize();
@@ -37,6 +39,8 @@ MatrixWorkspace_const_sptr doTest(MatrixWorkspace_sptr inWS,
TS_ASSERT_THROWS_NOTHING(norm1.setProperty("InputWorkspace", inWS));
TS_ASSERT_THROWS_NOTHING(
norm1.setPropertyValue("OutputWorkspace", wsNameOut));
+ TS_ASSERT_THROWS_NOTHING(
+ norm1.setProperty("RecalculatePCharge", calcPcharge));
TS_ASSERT_THROWS_NOTHING(norm1.execute());
TS_ASSERT(norm1.isExecuted());
@@ -79,18 +83,18 @@ MatrixWorkspace_const_sptr doTest(MatrixWorkspace_sptr inWS,
}
MatrixWorkspace_const_sptr doTest(std::string wsNameIn, std::string wsNameOut,
- double expectedY, double expectedE,
- bool performance = false) {
+ const double pCharge, double expectedY,
+ double expectedE, bool performance = false) {
MatrixWorkspace_sptr inWS =
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsNameIn);
// Now set the charge
- inWS->mutableRun().setProtonCharge(2.0);
+ inWS->mutableRun().setProtonCharge(pCharge);
inWS->getAxis(0)->unit() =
Mantid::Kernel::UnitFactory::Instance().create("TOF");
inWS->setYUnit("Counts");
- return doTest(inWS, wsNameOut, expectedY, expectedE, performance);
+ return doTest(inWS, wsNameOut, expectedY, expectedE, true, performance);
}
/// Helper method to add necessary log values to simulate multi-period data.
@@ -109,6 +113,25 @@ void addMultiPeriodLogsTo(MatrixWorkspace_sptr ws, int period,
ws->mutableRun().addLogData(nperiodsProp);
ws->mutableRun().addLogData(currentPeriodProp);
}
+
+void addPChargeLogTo(MatrixWorkspace_sptr ws, const double pChargeAccum) {
+ auto pchargeLog =
+ Kernel::make_unique<Kernel::TimeSeriesProperty<double>>("proton_charge");
+
+ const Kernel::DateAndTime runstart(20000000000);
+ const int64_t pulsedt = 100 * 1000 * 1000;
+ const size_t numpulses = 100;
+ const double pCharge = pChargeAccum / static_cast<double>(numpulses);
+
+ for (int64_t pid = 0; pid < static_cast<int64_t>(numpulses); pid++) {
+ const int64_t pulsetime_i64 = pulsedt + runstart.totalNanoseconds();
+ const Kernel::DateAndTime pulsetime(pulsetime_i64);
+ pchargeLog->addValue(pulsetime, pCharge);
+ } // FOR each pulse
+
+ ws->mutableRun().addLogData(pchargeLog.release());
+ // ws->mutableRun().integrateProtonCharge(); // TODO
+}
}
class NormaliseByCurrentTest : public CxxTest::TestSuite {
public:
@@ -140,7 +163,7 @@ public:
void test_exec() {
AnalysisDataService::Instance().add(
"normIn", WorkspaceCreationHelper::create2DWorkspaceBinned(10, 3, 1));
- doTest("normIn", "normOut", 1.0, 0.5 * M_SQRT2);
+ doTest("normIn", "normOut", 2.0, 1.0, 0.5 * M_SQRT2);
AnalysisDataService::Instance().remove("normIn");
AnalysisDataService::Instance().remove("normOut");
}
@@ -278,7 +301,7 @@ public:
void test_execInPlace() {
AnalysisDataService::Instance().add(
"normIn", WorkspaceCreationHelper::create2DWorkspaceBinned(10, 3, 1));
- doTest("normIn", "normIn", 1.0, 0.5 * M_SQRT2);
+ doTest("normIn", "normIn", 2.0, 1.0, 0.5 * M_SQRT2);
AnalysisDataService::Instance().remove("normIn");
}
@@ -289,7 +312,25 @@ public:
EventWorkspace_const_sptr outputEvent;
outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(
- doTest("normInEvent", "normOutEvent", 1.0, 0.5 * M_SQRT2));
+ doTest("normInEvent", "normOutEvent", 2.0, 1.0, 0.5 * M_SQRT2));
+ // Output is an event workspace
+ TS_ASSERT(outputEvent);
+
+ AnalysisDataService::Instance().remove("normInEvent");
+ AnalysisDataService::Instance().remove("normOutEvent");
+ }
+
+ void test_execEventFunnyPCharge() {
+ auto wksp =
+ WorkspaceCreationHelper::createEventWorkspace(10, 3, 100, 0.0, 1.0, 2);
+ addPChargeLogTo(wksp, 2.); // pcharge intentionally doesn't match
+ AnalysisDataService::Instance().add("normInEvent", wksp);
+
+ // intentionally set the wrong `gd_prtn_chrg` to stress getting the right
+ // answer
+ EventWorkspace_const_sptr outputEvent;
+ outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(
+ doTest("normInEvent", "normOutEvent", 100.0, 1.0, 0.5 * M_SQRT2));
// Output is an event workspace
TS_ASSERT(outputEvent);
@@ -304,7 +345,7 @@ public:
EventWorkspace_const_sptr outputEvent;
outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(
- doTest("normInEvent", "normInEvent", 1.0, 0.5 * M_SQRT2));
+ doTest("normInEvent", "normInEvent", 2.0, 1.0, 0.5 * M_SQRT2));
// Output is an event workspace
TS_ASSERT(outputEvent);
@@ -414,30 +455,34 @@ public:
}
void test_execPerformance() {
- doTest(execWSIn, execWSOut, 1.0, 0.5 * M_SQRT2, performance);
+ doTest(execWSIn, execWSOut, 1.0, 0.5 * M_SQRT2, false, performance);
}
void test_execInPlacePerformance() {
- doTest(execInPlaceWSIn, execInPlaceWSIn, 1.0, 0.5 * M_SQRT2, performance);
+ doTest(execInPlaceWSIn, execInPlaceWSIn, 1.0, 0.5 * M_SQRT2, false,
+ performance);
}
void test_execEventPerformance() {
EventWorkspace_const_sptr outputEvent;
- outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(
- doTest(execEventWSIn, execEventWSOut, 1.0, 0.5 * M_SQRT2, performance));
+ outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(doTest(
+ execEventWSIn, execEventWSOut, 1.0, 0.5 * M_SQRT2, false, performance));
}
void test_execEventInPlacePerformance() {
EventWorkspace_const_sptr outputEvent;
outputEvent = boost::dynamic_pointer_cast<const EventWorkspace>(
doTest(execEventInPlaceWSIn, execEventInPlaceWSIn, 1.0, 0.5 * M_SQRT2,
- performance));
+ false, performance));
}
void test_multiPeriodDataPerformance() {
// Check that normalisation has used the protonChargeByPeriod data. i.e Yout
// = Yin/2.0, Yout = Yin/4.0, ... for each period workspace.
- doTest(multiPeriodWS1, "period1", 1.00, 1.500, performance); // 2/2, 3/2
- doTest(multiPeriodWS2, "period2", 0.50, 0.750, performance); // 2/4, 3/4
- doTest(multiPeriodWS3, "period3", 0.25, 0.375, performance); // 2/8, 3/8
+ doTest(multiPeriodWS1, "period1", 1.00, 1.500, false,
+ performance); // 2/2, 3/2
+ doTest(multiPeriodWS2, "period2", 0.50, 0.750, false,
+ performance); // 2/4, 3/4
+ doTest(multiPeriodWS3, "period3", 0.25, 0.375, false,
+ performance); // 2/8, 3/8
}
private:
diff --git a/Framework/Algorithms/test/ReflectometryReductionOneAuto2Test.h b/Framework/Algorithms/test/ReflectometryReductionOneAuto2Test.h
index 385831b625f27b4500a5fe045c7cf5d34f56ff7d..663ad33dc651be72cb76b3eaa0ad6d88fb492b9a 100644
--- a/Framework/Algorithms/test/ReflectometryReductionOneAuto2Test.h
+++ b/Framework/Algorithms/test/ReflectometryReductionOneAuto2Test.h
@@ -233,6 +233,7 @@ public:
void test_correct_detector_position_INTER() {
auto inter = loadRun("INTER00013460.nxs");
+ // Use the default correction type, which is a vertical shift
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
@@ -282,15 +283,17 @@ public:
std::tan(0.7 * 2 * M_PI / 180), 1e-4);
}
- void test_correct_detector_position_POLREF() {
+ void test_correct_detector_position_rotation_POLREF() {
// Histograms in this run correspond to 'OSMOND' component
auto polref = loadRun("POLREF00014966.raw");
+ // Correct by rotating detectors around the sample
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", polref);
alg.setProperty("ThetaIn", 1.5);
+ alg.setProperty("DetectorCorrectionType", "RotateAroundSample");
alg.setProperty("AnalysisMode", "MultiDetectorAnalysis");
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("MomentumTransferStep", 0.01);
@@ -316,27 +319,28 @@ public:
TS_ASSERT_EQUALS(instIn->getComponentByName("lineardetector")->getPos(),
instOut->getComponentByName("lineardetector")->getPos());
- // Only 'OSMOND' should have been moved vertically (along Z)
+ // Only 'OSMOND' should have been moved both vertically and in the beam
+ // direction (along X and Z)
auto detectorIn = instIn->getComponentByName("OSMOND")->getPos();
auto detectorOut = instOut->getComponentByName("OSMOND")->getPos();
- TS_ASSERT_EQUALS(detectorIn.X(), detectorOut.X());
+ TS_ASSERT_DELTA(detectorOut.X(), 25.99589, 1e-5);
TS_ASSERT_EQUALS(detectorIn.Y(), detectorOut.Y());
- TS_ASSERT_DELTA(detectorOut.Z() /
- (detectorOut.X() - instOut->getSample()->getPos().X()),
- std::tan(1.5 * 2 * M_PI / 180), 1e-4);
+ TS_ASSERT_DELTA(detectorOut.Z(), 0.1570, 1e-5);
}
- void test_correct_detector_position_CRISP() {
+ void test_correct_detector_position_vertical_CRISP() {
// Histogram in this run corresponds to 'point-detector' component
auto polref = loadRun("CSP79590.raw");
+ // Correct by shifting detectors vertically
ReflectometryReductionOneAuto2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", polref);
alg.setProperty("ThetaIn", 0.25);
+ alg.setProperty("DetectorCorrectionType", "VerticalShift");
alg.setProperty("CorrectionAlgorithm", "None");
alg.setProperty("MomentumTransferStep", 0.01);
alg.setProperty("OutputWorkspace", "IvsQ");
diff --git a/Framework/Algorithms/test/SpecularReflectionPositionCorrect2Test.h b/Framework/Algorithms/test/SpecularReflectionPositionCorrect2Test.h
index a2ed9a1c272b416c23479711632f16c09f652716..e9e8e0b82c0253f9e8b28d9462af3f47dda102d0 100644
--- a/Framework/Algorithms/test/SpecularReflectionPositionCorrect2Test.h
+++ b/Framework/Algorithms/test/SpecularReflectionPositionCorrect2Test.h
@@ -17,6 +17,31 @@ class SpecularReflectionPositionCorrect2Test : public CxxTest::TestSuite {
private:
MatrixWorkspace_sptr m_interWS;
+ // Initialise the algorithm and set the properties
+ void setupAlgorithm(SpecularReflectionPositionCorrect2 &alg,
+ const double twoTheta, const std::string &correctionType,
+ const std::string &detectorName) {
+ if (!alg.isInitialized())
+ alg.initialize();
+ alg.setChild(true);
+ alg.setProperty("InputWorkspace", m_interWS);
+ alg.setProperty("TwoTheta", twoTheta);
+ if (!correctionType.empty())
+ alg.setProperty("DetectorCorrectionType", correctionType);
+ if (!detectorName.empty())
+ alg.setProperty("DetectorComponentName", detectorName);
+ alg.setPropertyValue("OutputWorkspace", "test_out");
+ }
+
+ // Run the algorithm and do some basic checks. Returns the output workspace.
+ MatrixWorkspace_const_sptr
+ runAlgorithm(SpecularReflectionPositionCorrect2 &alg) {
+ TS_ASSERT_THROWS_NOTHING(alg.execute());
+ MatrixWorkspace_sptr outWS = alg.getProperty("OutputWorkspace");
+ TS_ASSERT(outWS);
+ return outWS;
+ }
+
public:
// This pair of boilerplate methods prevent the suite being created statically
// This means the constructor isn't called when running other tests
@@ -77,18 +102,35 @@ public:
TS_ASSERT_THROWS_ANYTHING(alg.execute());
}
- void test_correct_point_detector() {
+ void test_detector_component_is_valid() {
SpecularReflectionPositionCorrect2 alg;
alg.initialize();
alg.setChild(true);
alg.setProperty("InputWorkspace", m_interWS);
+ alg.setProperty("DetectorComponentName", "invalid-detector-name");
alg.setProperty("TwoTheta", 1.4);
+ alg.setPropertyValue("OutputWorkspace", "test_out");
+ TS_ASSERT_THROWS_ANYTHING(alg.execute());
+ }
+
+ void test_sample_component_is_valid() {
+ SpecularReflectionPositionCorrect2 alg;
+ alg.initialize();
+ alg.setChild(true);
+ alg.setProperty("InputWorkspace", m_interWS);
alg.setProperty("DetectorComponentName", "point-detector");
+ alg.setProperty("SampleComponentName", "invalid-sample-name");
+ alg.setProperty("TwoTheta", 1.4);
alg.setPropertyValue("OutputWorkspace", "test_out");
- TS_ASSERT_THROWS_NOTHING(alg.execute());
- MatrixWorkspace_sptr outWS = alg.getProperty("OutputWorkspace");
+ TS_ASSERT_THROWS_ANYTHING(alg.execute());
+ }
- TS_ASSERT(outWS);
+ void test_correct_point_detector_vertical_shift_default() {
+ // Omit the DetectorCorrectionType property to check that a vertical shift
+ // is done by default
+ SpecularReflectionPositionCorrect2 alg;
+ setupAlgorithm(alg, 1.4, "", "point-detector");
+ MatrixWorkspace_const_sptr outWS = runAlgorithm(alg);
auto instrIn = m_interWS->getInstrument();
auto instrOut = outWS->getInstrument();
@@ -105,18 +147,31 @@ public:
TS_ASSERT_DELTA(detOut.Y(), 0.06508, 1e-5);
}
- void test_correct_linear_detector() {
+ void test_correct_point_detector_rotation() {
SpecularReflectionPositionCorrect2 alg;
- alg.initialize();
- alg.setChild(true);
- alg.setProperty("InputWorkspace", m_interWS);
- alg.setProperty("TwoTheta", 1.4);
- alg.setProperty("DetectorComponentName", "linear-detector");
- alg.setPropertyValue("OutputWorkspace", "test_out");
- TS_ASSERT_THROWS_NOTHING(alg.execute());
- MatrixWorkspace_sptr outWS = alg.getProperty("OutputWorkspace");
+ setupAlgorithm(alg, 1.4, "RotateAroundSample", "point-detector");
+ MatrixWorkspace_const_sptr outWS = runAlgorithm(alg);
- TS_ASSERT(outWS);
+ auto instrIn = m_interWS->getInstrument();
+ auto instrOut = outWS->getInstrument();
+
+ // Sample should not have moved
+ auto sampleIn = instrIn->getSample()->getPos();
+ auto sampleOut = instrOut->getSample()->getPos();
+ TS_ASSERT_EQUALS(sampleIn, sampleOut);
+ // 'point-detector' should have been moved both vertically and in
+ // the beam direction
+ auto detIn = instrIn->getComponentByName("point-detector")->getPos();
+ auto detOut = instrOut->getComponentByName("point-detector")->getPos();
+ TS_ASSERT_EQUALS(detIn.X(), detOut.X());
+ TS_ASSERT_DELTA(detOut.Z(), 19.69921, 1e-5);
+ TS_ASSERT_DELTA(detOut.Y(), 0.06506, 1e-5);
+ }
+
+ void test_correct_linear_detector_vertical_shift() {
+ SpecularReflectionPositionCorrect2 alg;
+ setupAlgorithm(alg, 1.4, "VerticalShift", "linear-detector");
+ MatrixWorkspace_const_sptr outWS = runAlgorithm(alg);
auto instrIn = m_interWS->getInstrument();
auto instrOut = outWS->getInstrument();
@@ -125,13 +180,34 @@ public:
auto sampleIn = instrIn->getSample()->getPos();
auto sampleOut = instrOut->getSample()->getPos();
TS_ASSERT_EQUALS(sampleIn, sampleOut);
- // 'point-detector' should have been moved vertically only
+ // 'linear-detector' should have been moved vertically only
auto detIn = instrIn->getComponentByName("linear-detector")->getPos();
auto detOut = instrOut->getComponentByName("linear-detector")->getPos();
TS_ASSERT_EQUALS(detIn.X(), detOut.X());
TS_ASSERT_EQUALS(detIn.Z(), detOut.Z());
TS_ASSERT_DELTA(detOut.Y(), 0.07730, 1e-5);
}
+
+ void test_correct_linear_detector_rotation() {
+ SpecularReflectionPositionCorrect2 alg;
+ setupAlgorithm(alg, 1.4, "RotateAroundSample", "linear-detector");
+ MatrixWorkspace_const_sptr outWS = runAlgorithm(alg);
+
+ auto instrIn = m_interWS->getInstrument();
+ auto instrOut = outWS->getInstrument();
+
+ // Sample should not have moved
+ auto sampleIn = instrIn->getSample()->getPos();
+ auto sampleOut = instrOut->getSample()->getPos();
+ TS_ASSERT_EQUALS(sampleIn, sampleOut);
+ // 'linear-detector' should have been moved both vertically and in
+ // the beam direction
+ auto detIn = instrIn->getComponentByName("linear-detector")->getPos();
+ auto detOut = instrOut->getComponentByName("linear-detector")->getPos();
+ TS_ASSERT_EQUALS(detIn.X(), detOut.X());
+ TS_ASSERT_DELTA(detOut.Z(), 20.19906, 1e-5);
+ TS_ASSERT_DELTA(detOut.Y(), 0.07728, 1e-5);
+ }
};
#endif /* MANTID_ALGORITHMS_SPECULARREFLECTIONPOSITIONCORRECT2TEST_H_ */
diff --git a/Framework/CMakeLists.txt b/Framework/CMakeLists.txt
index a4057546d52c5c726ff0616ea83645c46caa5a33..2e43e341b2616d9aa6017b4fef88e23a0830a22a 100644
--- a/Framework/CMakeLists.txt
+++ b/Framework/CMakeLists.txt
@@ -169,20 +169,27 @@ install ( DIRECTORY ../instrument/ DESTINATION ${INBUNDLE}instrument
if ( WIN32 ) # General windows environment
if ( CMAKE_SIZEOF_VOID_P EQUAL 8 ) # Recommended way of detecting 64- vs 32-bit build
# Excludes .so files & _win32 binaries
- install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc" EXCLUDE
- PATTERN ".svn" EXCLUDE PATTERN "*.so" EXCLUDE PATTERN "*_win32.pyd" EXCLUDE PATTERN "CMakeLists.txt" EXCLUDE )
+ install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc"
+ EXCLUDE PATTERN ".svn" EXCLUDE PATTERN ".gitignore"
+ EXCLUDE PATTERN "*.so" EXCLUDE PATTERN "*_win32.pyd" EXCLUDE PATTERN "CMakeLists.txt"
+ EXCLUDE PATTERN "test" EXCLUDE )
else ()
# Excludes so files & _win64 binaries
- install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc" EXCLUDE
- PATTERN ".svn" EXCLUDE PATTERN "*.so" EXCLUDE PATTERN "*_win64.pyd" EXCLUDE PATTERN "CMakeLists.txt" EXCLUDE )
+ install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc"
+ EXCLUDE PATTERN ".svn" EXCLUDE PATTERN ".gitignore"
+ EXCLUDE PATTERN "*.so" EXCLUDE PATTERN "*_win64.pyd" EXCLUDE PATTERN "CMakeLists.txt"
+ EXCLUDE PATTERN "test" EXCLUDE )
endif ()
- # Also ship mingw libraries for Inelastic fortran code. We need to do a better job here and build things
- file ( GLOB MINGW_DLLS "${THIRD_PARTY_DIR}/bin/mingw/*.dll" )
- install ( FILES ${MINGW_DLLS} DESTINATION ${INBUNDLE}scripts/Inelastic )
- else ()
+
+ # Also ship mingw libraries for Inelastic fortran code. We need to do a better job here and build things
+ file ( GLOB MINGW_DLLS "${THIRD_PARTY_DIR}/bin/mingw/*.dll" )
+ install ( FILES ${MINGW_DLLS} DESTINATION ${INBUNDLE}scripts/Inelastic )
+else ()
# These don't work correctly and the linux ones are in no way general. They really need to be part of the build
- install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc" EXCLUDE
- PATTERN ".svn" EXCLUDE PATTERN "*_win*.pyd" EXCLUDE PATTERN "*_lnx64.so" EXCLUDE PATTERN "CMakeLists.txt" EXCLUDE )
+ install ( DIRECTORY ../scripts/ DESTINATION ${INBUNDLE}scripts PATTERN "*.pyc"
+ EXCLUDE PATTERN ".svn" EXCLUDE PATTERN ".gitignore"
+ EXCLUDE PATTERN "*_win*.pyd" EXCLUDE PATTERN "*_lnx64.so" EXCLUDE PATTERN "CMakeLists.txt"
+ EXCLUDE PATTERN "test" EXCLUDE )
endif ()
# THIS MUST BE THE LAST SUB_DIRECTORY ADDED. See Properties/CMakeLists.txt.
diff --git a/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
index ae97e2c00daac7a74cad5dfc5af2f662856e0f6b..9109c03c8b974e6b76598c032c4cf61a3290e197 100644
--- a/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
+++ b/Framework/CurveFitting/inc/MantidCurveFitting/Functions/IkedaCarpenterPV.h
@@ -84,6 +84,9 @@ private:
void convertVoigtToPseudo(const double &voigtSigmaSq,
const double &voigtGamma, double &H,
double &eta) const;
+
+ /// constrain all parameters to be non-negative
+ void lowerConstraint0(std::string paramName);
};
} // namespace Functions
diff --git a/Framework/CurveFitting/src/Algorithms/CrystalFieldEnergies.cpp b/Framework/CurveFitting/src/Algorithms/CrystalFieldEnergies.cpp
index f5346033ed841698fd556f28652ec1e7659798b8..0a5a475cbd802c74ae0a6fac8b3c3997941cc746 100644
--- a/Framework/CurveFitting/src/Algorithms/CrystalFieldEnergies.cpp
+++ b/Framework/CurveFitting/src/Algorithms/CrystalFieldEnergies.cpp
@@ -46,10 +46,12 @@ const std::string CrystalFieldEnergies::summary() const {
void CrystalFieldEnergies::init() {
// Input
- auto bounds = boost::make_shared<Kernel::BoundedValidator<int>>(1, 13);
+ auto bounds = boost::make_shared<Kernel::BoundedValidator<int>>(-99, 13);
declareProperty("Nre", 1, bounds, "A rare earth ion. Possible values are: "
"1=Ce 2=Pr 3=Nd 4=Pm 5=Sm 6=Eu 7=Gd 8=Tb "
- "9=Dy 10=Ho 11=Er 12=Tm 13=Yb");
+ "9=Dy 10=Ho 11=Er 12=Tm 13=Yb, or "
+ "negative values for arbitrary J with "
+ "J=-nre/2 up to nre=-99 (J=99/2)");
declareProperty("BmolX", 0.0, "The x-component of the molecular field.");
declareProperty("BmolY", 0.0, "The y-component of the molecular field.");
diff --git a/Framework/CurveFitting/src/Functions/CrystalElectricField.cpp b/Framework/CurveFitting/src/Functions/CrystalElectricField.cpp
index ff78903bee0f07145917c2fa53f51d354b1356d8..783d4f2f5d17a4267e66361a3979384fed83999a 100644
--- a/Framework/CurveFitting/src/Functions/CrystalElectricField.cpp
+++ b/Framework/CurveFitting/src/Functions/CrystalElectricField.cpp
@@ -27,10 +27,10 @@ ComplexType conjg(const ComplexMatrixValueConverter &conv) {
return std::conj(static_cast<ComplexType>(conv));
}
-// number of rare earth ions (?)
+// number of rare earth ions (trivalent rare earths with unfilled f-shell)
const int maxNre = 13;
-// define some rare earth constants (?)
+// define some rare earth constants (ggj is the Lande g-factor, ddimj=2J+1)
const std::array<double, maxNre> ggj = {
6.0 / 7., 4.0 / 5., 8.0 / 11., 3.0 / 5., 2.0 / 7., 0.0, 2.0,
3.0 / 2., 4.0 / 3., 5.0 / 4., 6.0 / 5., 7.0 / 6., 8.0 / 7.};
@@ -578,10 +578,11 @@ void zeeman(ComplexFortranMatrix &hamiltonian, const int nre,
auto bextp = bext(1) + i * bext(2);
auto bextm = bext(1) - i * bext(2);
ComplexType bextz = bext(3);
- auto gj = ggj[nre - 1];
+ auto gj = (nre > 0) ? ggj[nre - 1] : 2.;
auto facmol = 2 * (gj - 1) * c_myb;
auto facext = gj * c_myb;
- auto dimj = ddimj[nre - 1];
+ // Negative nre means arbitrary J, with abs(nre) = 2J. dimj=2J+1
+ auto dimj = (nre > 0) ? ddimj[nre - 1] : (abs(nre) + 1);
auto j = 0.5 * (dimj - 1.0);
int dim = static_cast<int>(dimj);
hamiltonian.allocate(1, dim, 1, dim);
@@ -693,12 +694,12 @@ void calculateEigensystem(DoubleFortranVector &eigenvalues,
const DoubleFortranVector &bext,
const ComplexFortranMatrix &bkq, double alpha_euler,
double beta_euler, double gamma_euler) {
- if (nre <= 0 || nre > maxNre) {
+ if (nre > maxNre) {
throw std::out_of_range("nre is out of range");
}
// initialize some rare earth constants
- auto dimj = ddimj[nre - 1];
+ auto dimj = (nre > 0) ? ddimj[nre - 1] : (abs(nre) + 1);
//------------------------------------------------------------
// transform the Bkq with
@@ -928,7 +929,7 @@ void calculateIntensities(int nre, const DoubleFortranVector &energies,
DoubleFortranVector &e_energies,
DoubleFortranMatrix &i_energies) {
int dim = static_cast<int>(energies.size());
- auto dimj = ddimj[nre - 1];
+ auto dimj = (nre > 0) ? ddimj[nre - 1] : (abs(nre) + 1);
if (static_cast<double>(dim) != dimj) {
throw std::runtime_error("calculateIntensities was called for a wrong ion");
}
@@ -946,7 +947,7 @@ void calculateIntensities(int nre, const DoubleFortranVector &energies,
// calculates the transition intensities for a powdered sample
auto r0 = c_r0();
- auto gj = ggj[nre - 1];
+ auto gj = (nre > 0) ? ggj[nre - 1] : 2.;
DoubleFortranMatrix mat(1, dim, 1, dim);
intcalc(r0, gj, occupation_factor, jt2mat, energies, mat, dim, temperature);
@@ -1050,8 +1051,8 @@ void calculateExcitations(const DoubleFortranVector &e_energies,
void calculateMagneticMoment(const ComplexFortranMatrix &ev,
const DoubleFortranVector &Hdir, const int nre,
DoubleFortranVector &moment) {
- int dim = (int)ddimj[nre - 1];
- auto gj = ggj[nre - 1];
+ int dim = (nre > 0) ? (int)ddimj[nre - 1] : (abs(nre) + 1);
+ auto gj = (nre > 0) ? ggj[nre - 1] : 2.;
moment.allocate(dim);
for (auto i = 1; i <= dim; ++i) {
moment(i) = real(matjx(ev, i, i, dim)) * Hdir(1) + // <ev|jx|ev>
@@ -1069,8 +1070,8 @@ void calculateMagneticMoment(const ComplexFortranMatrix &ev,
void calculateMagneticMomentMatrix(const ComplexFortranMatrix &ev,
const std::vector<double> &Hdir,
const int nre, ComplexFortranMatrix &mumat) {
- int dim = (int)ddimj[nre - 1];
- auto gj = ggj[nre - 1];
+ int dim = (nre > 0) ? (int)ddimj[nre - 1] : (abs(nre) + 1);
+ auto gj = (nre > 0) ? ggj[nre - 1] : 2.;
mumat.allocate(1, dim, 1, dim);
for (auto i = 1; i <= dim; ++i) {
for (auto j = 1; j <= dim; ++j) {
diff --git a/Framework/CurveFitting/src/Functions/CrystalFieldPeaksBase.cpp b/Framework/CurveFitting/src/Functions/CrystalFieldPeaksBase.cpp
index f044d747fed62571991bbb9c01e67080854c28ae..0752f9a6466019f30700a20fd1518025605d2b74 100644
--- a/Framework/CurveFitting/src/Functions/CrystalFieldPeaksBase.cpp
+++ b/Framework/CurveFitting/src/Functions/CrystalFieldPeaksBase.cpp
@@ -3,6 +3,7 @@
#include <functional>
#include <map>
+#include <cctype>
namespace Mantid {
namespace CurveFitting {
@@ -336,11 +337,43 @@ void CrystalFieldPeaksBase::calculateEigenSystem(DoubleFortranVector &en,
auto ionIter = ION_2_NRE.find(ion);
if (ionIter == ION_2_NRE.end()) {
- throw std::runtime_error("Unknown ion name passed to CrystalFieldPeaks.");
+ // If 'Ion=S2', or 'Ion=J2.5' etc, interpret as arbitrary J values with gJ=2
+ // Allow lower case, but values must be half-integral. E.g. 'Ion=S2.4' fails
+ switch (ion[0]) {
+ case 'S':
+ case 's':
+ case 'J':
+ case 'j': {
+ if (ion.size() > 1 && std::isdigit(ion[1])) {
+ // Need to store as 2J to allow half-integer values
+ try {
+ auto J2 = std::stof(ion.substr(1)) * 2.;
+ if (J2 > 99.) {
+ throw std::out_of_range("");
+ }
+ if (fabs(J2 - (int)J2) < 0.001) {
+ nre = -(int)J2;
+ break;
+ }
+ // Catch exceptions thrown by stof so we get a more meaningful error
+ } catch (const std::invalid_argument &) {
+ throw std::runtime_error("Invalid value '" + ion.substr(1) +
+ "' of J passed to CrystalFieldPeaks.");
+ } catch (const std::out_of_range &) {
+ throw std::runtime_error("Value of J: '" + ion.substr(1) +
+ "' passed to CrystalFieldPeaks is too big.");
+ }
+ }
+ // fall through
+ }
+ default:
+ throw std::runtime_error("Unknown ion name '" + ion +
+ "' passed to CrystalFieldPeaks.");
+ }
+ } else {
+ nre = ionIter->second;
}
- nre = ionIter->second;
-
DoubleFortranVector bmol(1, 3);
bmol(1) = getParameter("BmolX");
bmol(2) = getParameter("BmolY");
diff --git a/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp b/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
index 1fce22558c9cb3fe1358d98efa37e464629891b9..4ab7800ef81657d38b2c30da70b61a2dc6fbbb68 100644
--- a/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
+++ b/Framework/CurveFitting/src/Functions/IkedaCarpenterPV.cpp
@@ -3,6 +3,7 @@
//----------------------------------------------------------------------
#include "MantidCurveFitting/Functions/IkedaCarpenterPV.h"
#include "MantidCurveFitting/Constraints/BoundaryConstraint.h"
+#include "MantidKernel/make_unique.h"
#include "MantidCurveFitting/SpecialFunctionSupport.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/FunctionFactory.h"
@@ -104,14 +105,30 @@ void IkedaCarpenterPV::init() {
declareParameter("I", 0.0, "The integrated intensity of the peak. I.e. "
"approximately equal to HWHM times height of "
"peak");
+ this->lowerConstraint0("I");
declareParameter("Alpha0", 1.6, "Used to model fast decay constant");
+ this->lowerConstraint0("Alpha0");
declareParameter("Alpha1", 1.5, "Used to model fast decay constant");
+ this->lowerConstraint0("Alpha1");
declareParameter("Beta0", 31.9, "Inverse of slow decay constant");
+ this->lowerConstraint0("Beta0");
declareParameter("Kappa", 46.0, "Controls contribution of slow decay term");
+ this->lowerConstraint0("Kappa");
declareParameter("SigmaSquared", 1.0,
"standard deviation squared (Voigt Guassian broadening)");
+ this->lowerConstraint0("SigmaSquared");
declareParameter("Gamma", 1.0, "Voigt Lorentzian broadening");
+ this->lowerConstraint0("Gamma");
declareParameter("X0", 0.0, "Peak position");
+ this->lowerConstraint0("X0");
+}
+
+void IkedaCarpenterPV::lowerConstraint0(std::string paramName) {
+ auto mixingConstraint =
+ Kernel::make_unique<BoundaryConstraint>(this, paramName, 0.0, true);
+ mixingConstraint->setPenaltyFactor(1e9);
+
+ addConstraint(std::move(mixingConstraint));
}
/** Method for updating m_waveLength.
diff --git a/Framework/CurveFitting/test/Algorithms/FitTest.h b/Framework/CurveFitting/test/Algorithms/FitTest.h
index 14e4b9daf3ce323f024a988389d7a14ecfd743f5..1bb0b6cb9befbd94bec1b81bf35c541b6bc68add 100644
--- a/Framework/CurveFitting/test/Algorithms/FitTest.h
+++ b/Framework/CurveFitting/test/Algorithms/FitTest.h
@@ -1562,25 +1562,25 @@ public:
fit.setProperty(
"Function",
"name=IkedaCarpenterPV, I=1000, SigmaSquared=25.0, Gamma=0.1, X0=50.0");
- fit.setProperty("Ties", "Alpha0=1.6, Alpha1=1.5, Beta0=31.9, Kappa=46.0");
fit.setProperty("InputWorkspace", ws);
- fit.setPropertyValue("StartX", "0");
- fit.setPropertyValue("EndX", "150");
+ fit.setPropertyValue("StartX", "30");
+ fit.setPropertyValue("EndX", "100");
TS_ASSERT_THROWS_NOTHING(fit.execute());
TS_ASSERT(fit.isExecuted());
// test the output from fit is what you expect
double chi2 = fit.getProperty("OutputChi2overDoF");
- TS_ASSERT_DELTA(chi2, 0.0, 0.1);
+ TS_ASSERT_DELTA(chi2, 0.0, 0.01);
IFunction_sptr out = fit.getProperty("Function");
- TS_ASSERT_DELTA(out->getParameter("I"), 3101.672, 0.1);
- TS_ASSERT_DELTA(out->getParameter("Alpha0"), 1.6, 0.0001);
- TS_ASSERT_DELTA(out->getParameter("Alpha1"), 1.5, 0.001);
- TS_ASSERT_DELTA(out->getParameter("Beta0"), 31.9, 0.0001);
- TS_ASSERT_DELTA(out->getParameter("Kappa"), 46.0, 0.0001);
+ // test that all parameters are non-negative
+ TS_ASSERT_DELTA(out->getParameter("I"), 3101.7067, 1.0);
+ TS_ASSERT_DELTA(out->getParameter("Alpha0"), 1.6666, 0.004);
+ TS_ASSERT_DELTA(out->getParameter("Alpha1"), 1.4276, 0.005);
+ TS_ASSERT_DELTA(out->getParameter("Beta0"), 31.9007, 0.02);
+ TS_ASSERT_DELTA(out->getParameter("Kappa"), 46.0238, 0.004);
TS_ASSERT_DELTA(out->getParameter("SigmaSquared"), 99.935, 0.1);
- TS_ASSERT_DELTA(out->getParameter("Gamma"), 0.0, 0.1);
+ TS_ASSERT_DELTA(out->getParameter("Gamma"), 0.05, 0.05);
TS_ASSERT_DELTA(out->getParameter("X0"), 49.984, 0.1);
}
diff --git a/Framework/CurveFitting/test/Functions/CrystalFieldPeaksTest.h b/Framework/CurveFitting/test/Functions/CrystalFieldPeaksTest.h
index c0dea78a243ad9c92e5182c70b0da8719b19c6ae..a7473a8b8ab0f38cabb4d65ab170e1bea00720ea 100644
--- a/Framework/CurveFitting/test/Functions/CrystalFieldPeaksTest.h
+++ b/Framework/CurveFitting/test/Functions/CrystalFieldPeaksTest.h
@@ -12,6 +12,7 @@
#include "MantidCurveFitting/Algorithms/EvaluateFunction.h"
#include "MantidCurveFitting/Functions/CrystalFieldPeaks.h"
#include "MantidDataObjects/TableWorkspace.h"
+#include "MantidCurveFitting/FortranDefs.h"
using Mantid::CurveFitting::Functions::CrystalFieldPeaks;
using namespace Mantid::CurveFitting::Algorithms;
@@ -96,6 +97,35 @@ public:
TS_ASSERT_EQUALS(fun->getAttribute("ToleranceIntensity").asDouble(), 1e-1);
}
+ void test_arbitrary_J() {
+ IFunction_sptr fun(new CrystalFieldPeaks);
+ Mantid::CurveFitting::DoubleFortranVector en;
+ Mantid::CurveFitting::ComplexFortranMatrix wf;
+ int nre = 1;
+ auto &peaks = dynamic_cast<CrystalFieldPeaks &>(*fun);
+ peaks.setParameter("B20", 0.37737);
+ peaks.setAttributeValue("Temperature", 44.0);
+ peaks.setAttributeValue("ToleranceIntensity", 0.001 * c_mbsr);
+ peaks.setAttributeValue("Ion", "something");
+ TS_ASSERT_THROWS(peaks.calculateEigenSystem(en, wf, nre),
+ std::runtime_error);
+ peaks.setAttributeValue("Ion", "S2.4");
+ TS_ASSERT_THROWS(peaks.calculateEigenSystem(en, wf, nre),
+ std::runtime_error);
+ peaks.setAttributeValue("Ion", "S2.5");
+ TS_ASSERT_THROWS_NOTHING(peaks.calculateEigenSystem(en, wf, nre));
+ TS_ASSERT_EQUALS(nre, -5);
+ peaks.setAttributeValue("Ion", "s1");
+ TS_ASSERT_THROWS_NOTHING(peaks.calculateEigenSystem(en, wf, nre));
+ TS_ASSERT_EQUALS(nre, -2);
+ peaks.setAttributeValue("Ion", "j1.5");
+ TS_ASSERT_THROWS_NOTHING(peaks.calculateEigenSystem(en, wf, nre));
+ TS_ASSERT_EQUALS(nre, -3);
+ peaks.setAttributeValue("Ion", "J2");
+ TS_ASSERT_THROWS_NOTHING(peaks.calculateEigenSystem(en, wf, nre));
+ TS_ASSERT_EQUALS(nre, -4);
+ }
+
void test_evaluate_alg_no_input_workspace() {
IFunction_sptr fun(new CrystalFieldPeaks);
FunctionDomainGeneral domain;
diff --git a/Framework/DataHandling/CMakeLists.txt b/Framework/DataHandling/CMakeLists.txt
index bc8273cd7bba374ff322f8180d2144bc8b24cd23..5c2c065eb7e1228e95cf66288c5b6af390877b42 100644
--- a/Framework/DataHandling/CMakeLists.txt
+++ b/Framework/DataHandling/CMakeLists.txt
@@ -53,8 +53,7 @@ set ( SRC_FILES
src/LoadHelper.cpp
src/LoadIDFFromNexus.cpp
src/LoadILLIndirect.cpp
- src/LoadILLIndirect2.cpp
- src/LoadILLTOF.cpp
+ src/LoadILLIndirect2.cpp
src/LoadILLTOF2.cpp
src/LoadILLReflectometry.cpp
src/LoadILLSANS.cpp
@@ -229,8 +228,7 @@ set ( INC_FILES
inc/MantidDataHandling/LoadHelper.h
inc/MantidDataHandling/LoadIDFFromNexus.h
inc/MantidDataHandling/LoadILLIndirect.h
- inc/MantidDataHandling/LoadILLIndirect2.h
- inc/MantidDataHandling/LoadILLTOF.h
+ inc/MantidDataHandling/LoadILLIndirect2.h
inc/MantidDataHandling/LoadILLTOF2.h
inc/MantidDataHandling/LoadILLReflectometry.h
inc/MantidDataHandling/LoadILLSANS.h
@@ -399,13 +397,12 @@ set ( TEST_FILES
LoadGSSTest.h
LoadIDFFromNexusTest.h
LoadILLIndirectTest.h
- LoadILLIndirect2Test.h
- LoadILLTOFTest.h
+ LoadILLIndirect2Test.h
LoadILLTOF2Test.h
LoadILLReflectometryTest.h
LoadILLSANSTest.h
LoadISISNexusTest.h
- LoadInstrumentFromNexusTest.h
+ LoadInstrumentFromNexusTest.h
LoadInstrumentFromRawTest.h
LoadInstrumentTest.h
LoadIsawDetCalTest.h
@@ -438,9 +435,9 @@ set ( TEST_FILES
LoadTBLTest.h
LoadSINQFocusTest.h
LoadSNSspecTest.h
- LoadSpecTest.h
+ LoadSpecTest.h
LoadSPETest.h
- LoadSampleDetailsFromRawTest.h
+ LoadSampleDetailsFromRawTest.h
LoadSassenaTest.h
LoadSaveAsciiTest.h
LoadSavuTomoConfigTest.h
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadHelper.h b/Framework/DataHandling/inc/MantidDataHandling/LoadHelper.h
index f5da2e6b85e2e207c7b6e5dc047450b0e997a755..7d3286a9617790fc82cc91437c70768cf5dfa6f2 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadHelper.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadHelper.h
@@ -64,9 +64,6 @@ public:
const Kernel::Quat &rot);
Kernel::V3D getComponentPosition(API::MatrixWorkspace_sptr ws,
const std::string &componentName);
- template <typename T>
- T getPropertyFromRun(API::MatrixWorkspace_const_sptr inputWS,
- const std::string &propertyName);
private:
void recurseAndAddNexusFieldsToWsRun(NXhandle nxfileID, API::Run &runDetails,
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF.h b/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF.h
deleted file mode 100644
index 9c53bb11b9cce438561162c4209a54a77437c263..0000000000000000000000000000000000000000
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF.h
+++ /dev/null
@@ -1,122 +0,0 @@
-#ifndef MANTID_DATAHANDLING_LOADILLTOF_H_
-#define MANTID_DATAHANDLING_LOADILLTOF_H_
-
-//---------------------------------------------------
-// Includes
-//---------------------------------------------------
-#include "MantidAPI/IFileLoader.h"
-#include "MantidNexus/NexusClasses.h"
-#include "MantidDataHandling/LoadHelper.h"
-#include "MantidGeometry/IDTypes.h"
-#include "MantidAPI/DeprecatedAlgorithm.h"
-#include "MantidAPI/Progress.h"
-
-namespace Mantid {
-namespace DataHandling {
-/**
- Loads an ILL IN4/5/6 nexus file into a Mantid workspace.
-
- Copyright © 2016 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 LoadILLTOF : public API::IFileLoader<Kernel::NexusDescriptor>,
- public API::DeprecatedAlgorithm {
-public:
- /// Constructor
- LoadILLTOF();
- /// Algorithm's name
- const std::string name() const override { return "LoadILLTOF"; }
- /// Summary of algorithms purpose
- const std::string summary() const override {
- return "Loads an ILL ToF NeXus file.";
- }
-
- /// Algorithm's version
- int version() const override { return (1); }
- /// Algorithm's category for identification
- const std::string category() const override { return "DataHandling\\Nexus"; }
-
- /// Returns a confidence value that this algorithm can load a file
- int confidence(Kernel::NexusDescriptor &descriptor) const override;
-
-private:
- // Initialisation code
- void init() override;
- // Execution code
- void exec() override;
-
- int getEPPFromVanadium(const std::string &,
- Mantid::API::MatrixWorkspace_sptr);
- void loadInstrumentDetails(NeXus::NXEntry &);
- std::vector<std::vector<int>> getMonitorInfo(NeXus::NXEntry &firstEntry);
- void initWorkSpace(NeXus::NXEntry &entry,
- const std::vector<std::vector<int>> &);
- void initInstrumentSpecific();
- void addAllNexusFieldsAsProperties(std::string filename);
- void addEnergyToRun();
- void addPulseInterval();
-
- int getDetectorElasticPeakPosition(const NeXus::NXInt &data);
- void loadTimeDetails(NeXus::NXEntry &entry);
- void
- loadDataIntoTheWorkSpace(NeXus::NXEntry &entry,
- const std::vector<std::vector<int>> &,
- int vanaCalculatedDetectorElasticPeakPosition = -1);
- void loadSpectra(size_t &spec, size_t numberOfMonitors, size_t numberOfTubes,
- std::vector<Mantid::detid_t> &detectorIDs, NeXus::NXInt data,
- Mantid::API::Progress progress);
-
- void runLoadInstrument();
-
- /// Calculate error for y
- static double calculateError(double in) { return sqrt(in); }
- int validateVanadium(const std::string &);
-
- API::MatrixWorkspace_sptr m_localWorkspace;
-
- // NeXus::NXRoot m_dataRoot;
- // NeXus::NXRoot m_vanaRoot;
-
- std::string m_instrumentName; ///< Name of the instrument
- std::string m_instrumentPath; ///< Name of the instrument path
-
- // Variables describing the data in the detector
- 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 */
- int m_monitorElasticPeakPosition;
- double m_wavelength;
- double m_channelWidth;
-
- double m_l1; //=2.0;
- double m_l2; //=4.0;
-
- std::vector<std::string> m_supportedInstruments;
- LoadHelper m_loader;
-};
-
-} // namespace DataHandling
-} // namespace Mantid
-
-#endif /*MANTID_DATAHANDLING_LOADILLTOF_H_*/
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF2.h b/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF2.h
index abff769124b80d295dc7ea146f97d81c4f9ad0f9..ca7c8b2f328ed1e4df75dcd6f9878e4a9c812ea7 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF2.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadILLTOF2.h
@@ -72,8 +72,7 @@ private:
void loadTimeDetails(NeXus::NXEntry &entry);
void loadDataIntoTheWorkSpace(NeXus::NXEntry &entry,
const std::vector<std::vector<int>> &);
- void loadSpectra(size_t &spec, const size_t numberOfMonitors,
- const size_t numberOfTubes,
+ void loadSpectra(size_t &spec, const size_t numberOfTubes,
const std::vector<Mantid::detid_t> &detectorIDs,
NeXus::NXInt data, Mantid::API::Progress progress);
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadIsawDetCal.h b/Framework/DataHandling/inc/MantidDataHandling/LoadIsawDetCal.h
index 9ece95d80348126d18d0674b9611928a77c8e54f..08ca19fbe9c36495377b20d37d7f865abbe44895 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadIsawDetCal.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadIsawDetCal.h
@@ -5,6 +5,8 @@
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/DetectorInfo.h"
+#include "MantidAPI/ExperimentInfo.h"
#include "MantidGeometry/Instrument_fwd.h"
namespace Mantid {
@@ -60,16 +62,33 @@ public:
std::map<std::string, std::string> validateInputs() override;
private:
+ const double CM_TO_M = 0.01;
+
+ struct ComponentScaling {
+ std::string componentName;
+ double scaleX;
+ double scaleY;
+ };
+
// Overridden Algorithm methods
void init() override;
void exec() override;
/// Set the center of the supplied detector name
void center(const double x, const double y, const double z,
- const std::string &detname, API::Workspace_sptr ws);
+ const std::string &detname, API::Workspace_sptr ws,
+ API::DetectorInfo &detectorInfo);
Geometry::Instrument_sptr getCheckInst(API::Workspace_sptr ws);
std::vector<std::string> getFilenames();
+
+ void doRotation(Kernel::V3D rX, Kernel::V3D rY,
+ API::DetectorInfo &detectorInfo,
+ boost::shared_ptr<const Geometry::IComponent> comp,
+ bool doWishCorrection = false);
+ void applyScalings(
+ API::Workspace_sptr &ws,
+ const std::vector<ComponentScaling> &rectangularDetectorScalings);
};
} // namespace DataHandling
diff --git a/Framework/DataHandling/inc/MantidDataHandling/LoadSpiceXML2DDet.h b/Framework/DataHandling/inc/MantidDataHandling/LoadSpiceXML2DDet.h
index ea13c77dc54ee1c22a7ff1b516503051e6121ad9..8edc6f39906df380ac4b2646c247b5a8d88ccf29 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/LoadSpiceXML2DDet.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/LoadSpiceXML2DDet.h
@@ -93,6 +93,16 @@ private:
const std::string &detnodename,
const bool &loadinstrument);
+ /// Create output MatrixWorkspace
+ API::MatrixWorkspace_sptr
+ createMatrixWorkspaceVersion2(const std::vector<SpiceXMLNode> &vecxmlnode,
+ const std::string &detnodename,
+ const bool &loadinstrument);
+
+ API::MatrixWorkspace_sptr parseDetectorNode(const std::string &detvaluestr,
+ bool loadinstrument,
+ double &max_counts);
+
/// Set up sample logs from table workspace loaded where SPICE data file is
/// loaded
void setupSampleLogFromSpiceTable(API::MatrixWorkspace_sptr matrixws,
diff --git a/Framework/DataHandling/inc/MantidDataHandling/SaveAscii2.h b/Framework/DataHandling/inc/MantidDataHandling/SaveAscii2.h
index 7acc33762aeb3afd840b8dcecef0098b417cd41f..a78c28d12aaca75edd01d211900fbdc0e949b0a1 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/SaveAscii2.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/SaveAscii2.h
@@ -6,7 +6,6 @@
//----------------------------------------------------------------------
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
-#include "MantidAPI/SpectraDetectorTypes.h"
namespace Mantid {
namespace DataHandling {
@@ -59,18 +58,8 @@ private:
void init() override;
/// Overwrites Algorithm method
void exec() override;
- /**writes a spectra to the file using a workspace ID
- @param spectraIndex :: an integer relating to a workspace ID
- @param file :: the file writer object
- */
- void writeSpectra(const int &spectraIndex, std::ofstream &file);
- /**writes a spectra to the file using an iterator
- @param spectraItr :: a set<int> iterator pointing to a set of workspace IDs to
- be saved
- @param file :: the file writer object
- */
- void writeSpectra(const std::set<int>::const_iterator &spectraItr,
- std::ofstream &file);
+ /// Writes a spectrum to the file using a workspace index
+ void writeSpectrum(const int &wsIndex, std::ofstream &file);
std::vector<std::string> stringListToVector(std::string &inputString);
void populateQMetaData();
void populateSpectrumNumberMetaData();
@@ -91,7 +80,6 @@ private:
API::MatrixWorkspace_const_sptr m_ws;
std::vector<std::string> m_metaData;
std::map<std::string, std::vector<std::string>> m_metaDataMap;
- spec2index_map m_specToIndexMap;
};
} // namespace DataHandling
} // namespace Mantid
diff --git a/Framework/DataHandling/inc/MantidDataHandling/SaveFocusedXYE.h b/Framework/DataHandling/inc/MantidDataHandling/SaveFocusedXYE.h
index e63298232442185b2df3034fafbef485135b6e8d..e72fc584fe5d174285613b84164bfb2952bc25fe 100644
--- a/Framework/DataHandling/inc/MantidDataHandling/SaveFocusedXYE.h
+++ b/Framework/DataHandling/inc/MantidDataHandling/SaveFocusedXYE.h
@@ -105,11 +105,6 @@ private:
void writeMAUDSpectraHeader(std::ostream &os, size_t index1, size_t index2,
double flightPath, double tth,
const std::string &caption);
- /// Determine the focused position for the supplied spectrum.
- void getFocusedPos(API::MatrixWorkspace_const_sptr wksp,
- const size_t spectrum, double &l1, double &l2,
- double &tth);
-
/// sets non workspace properties for the algorithm
void setOtherProperties(IAlgorithm *alg, const std::string &propertyName,
const std::string &propertyValue,
diff --git a/Framework/DataHandling/src/LoadHelper.cpp b/Framework/DataHandling/src/LoadHelper.cpp
index c3639b32cbd9f3f13e6587fde4b2fe6d975bd7b1..f4122842fe36dada5862ac380106b422e0c5f616 100644
--- a/Framework/DataHandling/src/LoadHelper.cpp
+++ b/Framework/DataHandling/src/LoadHelper.cpp
@@ -3,9 +3,9 @@
* */
#include "MantidDataHandling/LoadHelper.h"
-
#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidGeometry/Instrument/ComponentHelper.h"
#include "MantidKernel/PhysicalConstants.h"
@@ -539,18 +539,5 @@ V3D LoadHelper::getComponentPosition(API::MatrixWorkspace_sptr ws,
}
}
-template <typename T>
-T LoadHelper::getPropertyFromRun(API::MatrixWorkspace_const_sptr inputWS,
- const std::string &propertyName) {
- if (inputWS->run().hasProperty(propertyName)) {
- Kernel::Property *prop = inputWS->run().getProperty(propertyName);
- return boost::lexical_cast<T>(prop->value());
- } else {
- std::string mesg =
- "No '" + propertyName + "' property found in the input workspace....";
- throw std::runtime_error(mesg);
- }
-}
-
} // namespace DataHandling
} // namespace Mantid
diff --git a/Framework/DataHandling/src/LoadILLTOF.cpp b/Framework/DataHandling/src/LoadILLTOF.cpp
deleted file mode 100644
index c2757d13fcbb7b2e638bcb2fa68937b4822cf355..0000000000000000000000000000000000000000
--- a/Framework/DataHandling/src/LoadILLTOF.cpp
+++ /dev/null
@@ -1,632 +0,0 @@
-#include "MantidDataHandling/LoadILLTOF.h"
-
-#include "MantidAPI/Axis.h"
-#include "MantidAPI/FileProperty.h"
-#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidAPI/SpectrumInfo.h"
-#include "MantidAPI/RegisterFileLoader.h"
-#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidGeometry/Instrument.h"
-#include "MantidKernel/UnitFactory.h"
-
-#include <boost/algorithm/string/predicate.hpp>
-
-namespace Mantid {
-namespace DataHandling {
-
-using namespace Kernel;
-using namespace API;
-using namespace NeXus;
-using namespace HistogramData;
-
-DECLARE_NEXUS_FILELOADER_ALGORITHM(LoadILLTOF)
-
-/**
- * Return the confidence with with this algorithm can load the file
- * @param descriptor A descriptor for the file
- * @returns An integer specifying the confidence level. 0 indicates it will not
- * be used
- */
-int LoadILLTOF::confidence(Kernel::NexusDescriptor &descriptor) const {
- UNUSED_ARG(descriptor)
- // This loader is deprecated.
- return 0;
-}
-
-LoadILLTOF::LoadILLTOF() : API::IFileLoader<Kernel::NexusDescriptor>() {
- useAlgorithm("LoadILLTOF", 2);
- m_instrumentName = "";
- m_wavelength = 0;
- m_channelWidth = 0;
- m_numberOfChannels = 0;
- m_numberOfHistograms = 0;
- m_numberOfTubes = 0;
- m_numberOfPixelsPerTube = 0;
- m_monitorElasticPeakPosition = 0;
- m_l1 = 0;
- m_l2 = 0;
- m_supportedInstruments.emplace_back("IN4");
- m_supportedInstruments.emplace_back("IN5");
- m_supportedInstruments.emplace_back("IN6");
-}
-
-/**
- * Initialise the algorithm
- */
-void LoadILLTOF::init() {
- declareProperty(
- make_unique<FileProperty>("Filename", "", FileProperty::Load, ".nxs"),
- "File path of the Data file to load");
-
- declareProperty(make_unique<FileProperty>("FilenameVanadium", "",
- FileProperty::OptionalLoad, ".nxs"),
- "File path of the Vanadium file to load (Optional)");
-
- declareProperty(
- make_unique<WorkspaceProperty<API::MatrixWorkspace>>(
- "WorkspaceVanadium", "", Direction::Input, PropertyMode::Optional),
- "Vanadium Workspace file to load (Optional)");
-
- declareProperty(make_unique<WorkspaceProperty<>>("OutputWorkspace", "",
- Direction::Output),
- "The name to use for the output workspace");
-}
-
-/**
- * Execute the algorithm
- */
-void LoadILLTOF::exec() {
- // Retrieve filename
- std::string filenameData = getPropertyValue("Filename");
- std::string filenameVanadium = getPropertyValue("FilenameVanadium");
- MatrixWorkspace_sptr vanaWS = getProperty("WorkspaceVanadium");
-
- // open the root node
- NeXus::NXRoot dataRoot(filenameData);
- NXEntry dataFirstEntry = dataRoot.openFirstEntry();
-
- loadInstrumentDetails(dataFirstEntry);
- loadTimeDetails(dataFirstEntry);
-
- std::vector<std::vector<int>> monitors = getMonitorInfo(dataFirstEntry);
-
- initWorkSpace(dataFirstEntry, monitors);
-
- addAllNexusFieldsAsProperties(filenameData);
-
- runLoadInstrument(); // just to get IDF contents
- initInstrumentSpecific();
-
- int calculatedDetectorElasticPeakPosition =
- getEPPFromVanadium(filenameVanadium, vanaWS);
-
- loadDataIntoTheWorkSpace(dataFirstEntry, monitors,
- calculatedDetectorElasticPeakPosition);
-
- addEnergyToRun();
- addPulseInterval();
-
- // load the instrument from the IDF if it exists
- runLoadInstrument();
-
- // Set the output workspace property
- setProperty("OutputWorkspace", m_localWorkspace);
-}
-
-/**
- * Loads Monitor data into an vector of monitor data
- * @return : list of monitor data
- */
-std::vector<std::vector<int>>
-LoadILLTOF::getMonitorInfo(NeXus::NXEntry &firstEntry) {
-
- std::vector<std::vector<int>> monitorList;
-
- for (std::vector<NXClassInfo>::const_iterator it =
- firstEntry.groups().begin();
- it != firstEntry.groups().end(); ++it) {
-
- if (it->nxclass == "NXmonitor" ||
- boost::starts_with(it->nxname, "monitor")) {
-
- g_log.debug() << "Load monitor data from " + it->nxname;
-
- NXData dataGroup = firstEntry.openNXData(it->nxname + "/data");
- NXInt data = dataGroup.openIntData();
- // load the counts from the file into memory
- data.load();
-
- std::vector<int> thisMonitor(data(), data() + data.size());
- monitorList.push_back(thisMonitor);
- }
- }
- return monitorList;
-}
-
-/**
- * Get the elastic peak position (EPP) from a Vanadium Workspace
- * or filename.
- * @return the EPP
- */
-int LoadILLTOF::getEPPFromVanadium(const std::string &filenameVanadium,
- MatrixWorkspace_sptr vanaWS) {
- int calculatedDetectorElasticPeakPosition = -1;
-
- if (vanaWS != nullptr) {
-
- // Check if it has been store on the run object for this workspace
- if (vanaWS->run().hasProperty("EPP")) {
- Kernel::Property *prop = vanaWS->run().getProperty("EPP");
- calculatedDetectorElasticPeakPosition =
- boost::lexical_cast<int>(prop->value());
- g_log.information() << "Using EPP from Vanadium WorkSpace : value = "
- << calculatedDetectorElasticPeakPosition << "\n";
- } else {
- g_log.error("No EPP Property in the Vanadium Workspace. Following "
- "regular procedure...");
- }
- }
- if (calculatedDetectorElasticPeakPosition == -1 && filenameVanadium != "") {
- g_log.information()
- << "Calculating the elastic peak position from the Vanadium.\n";
- calculatedDetectorElasticPeakPosition = validateVanadium(filenameVanadium);
- }
- return calculatedDetectorElasticPeakPosition;
-}
-
-/**
- * Set the instrument name along with its path on the nexus file
- */
-void LoadILLTOF::loadInstrumentDetails(NeXus::NXEntry &firstEntry) {
-
- m_instrumentPath = m_loader.findInstrumentNexusPath(firstEntry);
-
- if (m_instrumentPath == "") {
- throw std::runtime_error(
- "Cannot set the instrument name from the Nexus file!");
- }
-
- m_instrumentName =
- m_loader.getStringFromNexusPath(firstEntry, m_instrumentPath + "/name");
-
- if (std::find(m_supportedInstruments.begin(), m_supportedInstruments.end(),
- m_instrumentName) == m_supportedInstruments.end()) {
- std::string message =
- "The instrument " + m_instrumentName + " is not valid for this loader!";
- throw std::runtime_error(message);
- }
-
- 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 monitors :: list of monitors content
- *
- */
-void LoadILLTOF::initWorkSpace(NeXus::NXEntry &entry,
- const std::vector<std::vector<int>> &monitors) {
-
- // read in the data
- NXData dataGroup = entry.openNXData("data");
- NXInt data = dataGroup.openIntData();
-
- m_numberOfTubes = static_cast<size_t>(data.dim0());
- m_numberOfPixelsPerTube = static_cast<size_t>(data.dim1());
- m_numberOfChannels = static_cast<size_t>(data.dim2());
- size_t numberOfMonitors = monitors.size();
-
- /**
- * IN4 : Rosace detector is now in a different field!
- */
- size_t numberOfTubesInRosace = 0;
- if (m_instrumentName == "IN4") {
- NXData dataGroupRosace =
- entry.openNXData("instrument/Detector_Rosace/data");
- NXInt dataRosace = dataGroupRosace.openIntData();
- numberOfTubesInRosace += static_cast<size_t>(dataRosace.dim0());
- }
-
- // dim0 * m_numberOfPixelsPerTube is the total number of detectors
- m_numberOfHistograms =
- (m_numberOfTubes + numberOfTubesInRosace) * m_numberOfPixelsPerTube;
-
- g_log.debug() << "NumberOfTubes: " << m_numberOfTubes << '\n';
- g_log.debug() << "NumberOfPixelsPerTube: " << m_numberOfPixelsPerTube << '\n';
- g_log.debug() << "NumberOfChannels: " << m_numberOfChannels << '\n';
-
- // Now create the output workspace
- // total number of spectra + number of monitors,
- // bin boundaries = m_numberOfChannels + 1
- // Z/time dimension
- m_localWorkspace = WorkspaceFactory::Instance().create(
- "Workspace2D", m_numberOfHistograms + numberOfMonitors,
- m_numberOfChannels + 1, m_numberOfChannels);
- m_localWorkspace->getAxis(0)->unit() = UnitFactory::Instance().create("TOF");
- m_localWorkspace->setYUnitLabel("Counts");
-}
-
-/**
- * Function to do specific instrument stuff
- *
- */
-void LoadILLTOF::initInstrumentSpecific() {
- m_l1 = m_localWorkspace->spectrumInfo().l1();
- // this will be mainly for IN5 (flat PSD detector)
- m_l2 = m_loader.getInstrumentProperty(m_localWorkspace, "l2");
- if (m_l2 == EMPTY_DBL()) {
- g_log.debug("Calculating L2 from the IDF.");
- m_l2 = m_localWorkspace->spectrumInfo().l2(1);
- }
-}
-
-/**
- * Load the time details from the nexus file.
- * @param entry :: The Nexus entry
- */
-void LoadILLTOF::loadTimeDetails(NeXus::NXEntry &entry) {
-
- m_wavelength = entry.getFloat("wavelength");
-
- // Monitor can be monitor (IN5) or monitor1 (IN6)
- std::string monitorName;
- if (entry.containsGroup("monitor"))
- monitorName = "monitor";
- else if (entry.containsGroup("monitor1"))
- monitorName = "monitor1";
- else {
- std::string message("Cannot find monitor[1] in the Nexus file!");
- g_log.error(message);
- throw std::runtime_error(message);
- }
-
- m_monitorElasticPeakPosition = entry.getInt(monitorName + "/elasticpeak");
-
- NXFloat time_of_flight_data =
- entry.openNXFloat(monitorName + "/time_of_flight");
- time_of_flight_data.load();
-
- // The entry "monitor/time_of_flight", has 3 fields:
- // channel width , number of channels, Time of flight delay
- m_channelWidth = time_of_flight_data[0];
- // m_timeOfFlightDelay = time_of_flight_data[2];
-
- g_log.debug("Nexus Data:");
- g_log.debug() << " ChannelWidth: " << m_channelWidth << '\n';
- g_log.debug() << " Wavelength: " << m_wavelength << '\n';
- g_log.debug() << " ElasticPeakPosition: " << m_monitorElasticPeakPosition
- << '\n';
-}
-
-/**
- * Goes through all the fields of the nexus file and add them
- * as parameters in the workspace
- * @param filename :: NeXus file
- */
-void LoadILLTOF::addAllNexusFieldsAsProperties(std::string filename) {
-
- API::Run &runDetails = m_localWorkspace->mutableRun();
-
- // Open NeXus file
- NXhandle nxfileID;
- NXstatus stat = NXopen(filename.c_str(), NXACC_READ, &nxfileID);
-
- g_log.debug() << "Starting parsing properties from : " << filename << '\n';
- if (stat == NX_ERROR) {
- g_log.debug() << "convertNexusToProperties: Error loading " << filename;
- throw Kernel::Exception::FileError("Unable to open File:", filename);
- }
- m_loader.addNexusFieldsToWsRun(nxfileID, runDetails);
-
- g_log.debug() << "End parsing properties from : " << filename << '\n';
-
- // Add also "Facility", as asked
- runDetails.addProperty("Facility", std::string("ILL"));
-}
-
-/**
- * Calculates the Energy from the wavelength and adds
- * it at property Ei
- */
-void LoadILLTOF::addEnergyToRun() {
-
- API::Run &runDetails = m_localWorkspace->mutableRun();
- double ei = m_loader.calculateEnergy(m_wavelength);
- runDetails.addProperty<double>("Ei", ei, true); // overwrite
-}
-
-/**
- * Calculate and add the pulse intervals for the run
- */
-void LoadILLTOF::addPulseInterval() {
- API::Run &runDetails = m_localWorkspace->mutableRun();
- double pulseInterval;
- double n_pulses;
- double fermiChopperSpeed;
-
- if (m_instrumentName == "IN4") {
- fermiChopperSpeed =
- runDetails.getPropertyAsSingleValue("FC.rotation_speed");
- double bkgChopper1Speed =
- runDetails.getPropertyAsSingleValue("BC1.rotation_speed");
- double bkgChopper2Speed =
- runDetails.getPropertyAsSingleValue("BC2.rotation_speed");
-
- if (std::abs(bkgChopper1Speed - bkgChopper2Speed) > 1) {
- throw std::invalid_argument(
- "Background choppers 1 and 2 have different speeds");
- }
-
- n_pulses = fermiChopperSpeed / bkgChopper1Speed / 4;
- } else if (m_instrumentName == "IN6") {
- fermiChopperSpeed =
- runDetails.getPropertyAsSingleValue("Fermi.rotation_speed");
- double suppressorSpeed =
- runDetails.getPropertyAsSingleValue("Suppressor.rotation_speed");
-
- n_pulses = fermiChopperSpeed / suppressorSpeed;
- } else {
- return;
- }
-
- pulseInterval = 60.0 / (2 * fermiChopperSpeed) * n_pulses;
- runDetails.addProperty<double>("pulse_interval", pulseInterval);
-}
-
-/**
- * Gets the experimental Elastic Peak Position in the dectector
- * as the value parsed from the nexus file might be wrong.
- *
- * It gets a few spectra in the equatorial line of the detector,
- * sum them up and finds the maximum = the Elastic peak
- *
- * @param data :: spectra data
- * @return detector Elastic Peak Position
- */
-int LoadILLTOF::getDetectorElasticPeakPosition(const NeXus::NXInt &data) {
-
- // j = index in the equatorial line (256/2=128)
- // both index 127 and 128 are in the equatorial line
- size_t j = m_numberOfPixelsPerTube / 2;
-
- // ignore the first tubes and the last ones to avoid the beamstop
- // get limits in the m_numberOfTubes
- size_t tubesToRemove = m_numberOfTubes / 7;
-
- std::vector<int> cumulatedSumOfSpectras(m_numberOfChannels, 0);
- for (size_t i = tubesToRemove; i < m_numberOfTubes - tubesToRemove; i++) {
- int *data_p = &data(static_cast<int>(i), static_cast<int>(j), 0);
- std::vector<int> thisSpectrum(data_p, data_p + m_numberOfChannels);
- // sum spectras
- std::transform(thisSpectrum.begin(), thisSpectrum.end(),
- cumulatedSumOfSpectras.begin(),
- cumulatedSumOfSpectras.begin(), std::plus<int>());
- }
- auto it = std::max_element(cumulatedSumOfSpectras.begin(),
- cumulatedSumOfSpectras.end());
-
- int calculatedDetectorElasticPeakPosition;
- if (it == cumulatedSumOfSpectras.end()) {
- g_log.warning() << "No Elastic peak position found! Assuming the EPP in "
- "the Nexus file: " << m_monitorElasticPeakPosition
- << '\n';
- calculatedDetectorElasticPeakPosition = m_monitorElasticPeakPosition;
-
- } else {
- calculatedDetectorElasticPeakPosition =
- static_cast<int>(std::distance(cumulatedSumOfSpectras.begin(), it));
-
- if (calculatedDetectorElasticPeakPosition == 0) {
- g_log.warning() << "Elastic peak position is ZERO Assuming the EPP in "
- "the Nexus file: " << m_monitorElasticPeakPosition
- << '\n';
- calculatedDetectorElasticPeakPosition = m_monitorElasticPeakPosition;
-
- } else {
- g_log.debug() << "Calculated Detector EPP: "
- << calculatedDetectorElasticPeakPosition;
- g_log.debug() << " :: Read EPP from the nexus file: "
- << m_monitorElasticPeakPosition << '\n';
- }
- }
- return calculatedDetectorElasticPeakPosition;
-}
-
-/**
- * It loads the vanadium nexus file and cross checks it against the
- * data file already loaded (same wavelength and same instrument configuration).
- * If matches looks for the elastic peak in the vanadium file and returns
- * it position.
- *
- * @param filenameVanadium :: The path for the vanadium nexus file.
- * @return The elastic peak position inside the tof channels.
- */
-int LoadILLTOF::validateVanadium(const std::string &filenameVanadium) {
- NeXus::NXRoot vanaRoot(filenameVanadium);
- NXEntry vanaFirstEntry = vanaRoot.openFirstEntry();
-
- double wavelength = vanaFirstEntry.getFloat("wavelength");
-
- // read in the data
- NXData dataGroup = vanaFirstEntry.openNXData("data");
- NXInt data = dataGroup.openIntData();
-
- size_t numberOfTubes = static_cast<size_t>(data.dim0());
- size_t numberOfPixelsPerTube = static_cast<size_t>(data.dim1());
- size_t numberOfChannels = static_cast<size_t>(data.dim2());
-
- if (wavelength != m_wavelength || numberOfTubes != m_numberOfTubes ||
- numberOfPixelsPerTube != m_numberOfPixelsPerTube ||
- numberOfChannels != m_numberOfChannels) {
- throw std::runtime_error(
- "Vanadium and Data were not collected in the same conditions!");
- }
-
- data.load();
- int calculatedDetectorElasticPeakPosition =
- getDetectorElasticPeakPosition(data);
- return calculatedDetectorElasticPeakPosition;
-}
-
-/**
- * Loads all the spectra into the workspace, including that from the monitor
- *
- * @param entry :: The Nexus entry
- * @param monitors :: List of monitors content
- * @param vanaCalculatedDetectorElasticPeakPosition :: If -1 uses this value as
- *the elastic peak position at the detector.
- *
- */
-void LoadILLTOF::loadDataIntoTheWorkSpace(
- NeXus::NXEntry &entry, const std::vector<std::vector<int>> &monitors,
- int vanaCalculatedDetectorElasticPeakPosition) {
-
- g_log.debug() << "Loading data into the workspace...\n";
- // read in the data
- NXData dataGroup = entry.openNXData("data");
- NXInt data = dataGroup.openIntData();
- // load the counts from the file into memory
- data.load();
-
- // Detector: Find real elastic peak in the detector.
- // Looks for a few elastic peaks on the equatorial line of the detector.
- int calculatedDetectorElasticPeakPosition;
- if (vanaCalculatedDetectorElasticPeakPosition == -1)
- calculatedDetectorElasticPeakPosition =
- getDetectorElasticPeakPosition(data);
- else
- calculatedDetectorElasticPeakPosition =
- vanaCalculatedDetectorElasticPeakPosition;
-
- // set it as a Property
- API::Run &runDetails = m_localWorkspace->mutableRun();
- runDetails.addProperty("EPP", calculatedDetectorElasticPeakPosition);
-
- double theoreticalElasticTOF = (m_loader.calculateTOF(m_l1, m_wavelength) +
- m_loader.calculateTOF(m_l2, m_wavelength)) *
- 1e6; // microsecs
-
- // Calculate the real tof (t1+t2) put it in tof array
- auto &X0 = m_localWorkspace->mutableX(0);
- for (size_t i = 0; i < m_numberOfChannels + 1; ++i) {
- X0[i] = theoreticalElasticTOF +
- m_channelWidth *
- static_cast<double>(static_cast<int>(i) -
- calculatedDetectorElasticPeakPosition) -
- m_channelWidth /
- 2; // to make sure the bin is in the middle of the elastic peak
- }
-
- g_log.information() << "T1+T2 : Theoretical = " << theoreticalElasticTOF;
- g_log.information() << " :: Calculated bin = ["
- << X0[calculatedDetectorElasticPeakPosition] << ","
- << X0[calculatedDetectorElasticPeakPosition + 1] << "]\n";
-
- // The binning for monitors is considered the same as for detectors
- size_t spec = 0;
-
- auto const &instrument = m_localWorkspace->getInstrument();
-
- std::vector<detid_t> monitorIDs = instrument->getMonitors();
-
- for (const auto &monitor : monitors) {
- m_localWorkspace->setHistogram(spec, m_localWorkspace->binEdges(0),
- Counts(monitor.begin(), monitor.end()));
- m_localWorkspace->getSpectrum(spec).setDetectorID(monitorIDs[spec]);
- spec++;
- }
-
- std::vector<detid_t> detectorIDs = instrument->getDetectorIDs(true);
- size_t numberOfMonitors = monitors.size();
-
- Progress progress(this, 0, 1, m_numberOfTubes * m_numberOfPixelsPerTube);
-
- loadSpectra(spec, numberOfMonitors, m_numberOfTubes, detectorIDs, data,
- progress);
-
- g_log.debug() << "Loading data into the workspace: DONE!\n";
-
- /**
- * IN4 Low angle and high angle have been split!
- */
- if (m_instrumentName == "IN4") {
- g_log.debug() << "Loading data into the workspace: IN4 Rosace!\n";
- // read in the data
- NXData dataGroupRosace =
- entry.openNXData("instrument/Detector_Rosace/data");
- NXInt dataRosace = dataGroupRosace.openIntData();
- auto numberOfTubes = static_cast<size_t>(dataRosace.dim0());
- // load the counts from the file into memory
- dataRosace.load();
-
- Progress progressRosace(this, 0, 1,
- numberOfTubes * m_numberOfPixelsPerTube);
-
- loadSpectra(spec, numberOfMonitors, numberOfTubes, detectorIDs, dataRosace,
- progressRosace);
- }
-}
-
-/**
- * Loops over all the pixels and loads the correct spectra. Called for each set
- * of detector types in the workspace.
- *
- * @param spec The current spectrum id
- * @param numberOfMonitors The number of monitors in the workspace
- * @param numberOfTubes The number of detector tubes in the workspace
- * @param detectorIDs A list of all of the detector IDs
- * @param data The NeXus data to load into the workspace
- * @param progress The progress monitor (different
- */
-void LoadILLTOF::loadSpectra(size_t &spec, size_t numberOfMonitors,
- size_t numberOfTubes,
- std::vector<detid_t> &detectorIDs, NXInt data,
- Progress progress) {
- for (size_t i = 0; i < numberOfTubes; ++i) {
- for (size_t j = 0; j < m_numberOfPixelsPerTube; ++j) {
- int *data_p = &data(static_cast<int>(i), static_cast<int>(j), 0);
- m_localWorkspace->setHistogram(
- spec, m_localWorkspace->binEdges(0),
- Counts(data_p, data_p + m_numberOfChannels));
- m_localWorkspace->getSpectrum(spec)
- .setDetectorID(detectorIDs[spec - numberOfMonitors]);
- spec++;
- progress.report();
- }
- }
-}
-
-/**
- * Run the Child Algorithm LoadInstrument.
- */
-void LoadILLTOF::runLoadInstrument() {
-
- IAlgorithm_sptr loadInst = createChildAlgorithm("LoadInstrument");
-
- // Now execute the Child Algorithm. Catch and log any error, but don't stop.
- try {
- loadInst->setPropertyValue("InstrumentName", m_instrumentName);
- loadInst->setProperty<MatrixWorkspace_sptr>("Workspace", m_localWorkspace);
- loadInst->setProperty("RewriteSpectraMap",
- Mantid::Kernel::OptionalBool(false));
- loadInst->execute();
- } catch (...) {
- g_log.information("Cannot load the instrument definition.");
- }
-
- // Now execute the Child Algorithm. Catch and log any error, but don't stop.
- try {
- loadInst->setPropertyValue("InstrumentName", m_instrumentName);
- loadInst->setProperty("RewriteSpectraMap",
- Mantid::Kernel::OptionalBool(false));
- loadInst->execute();
- } catch (...) {
- g_log.information("Cannot load the instrument definition.");
- }
-}
-
-} // namespace DataHandling
-} // namespace Mantid
diff --git a/Framework/DataHandling/src/LoadILLTOF2.cpp b/Framework/DataHandling/src/LoadILLTOF2.cpp
index b033803f6ecf454183203260ae8d68fa35af7d4c..0ae774efd2026c43b9ad8b036b8b0741e8d55ec2 100644
--- a/Framework/DataHandling/src/LoadILLTOF2.cpp
+++ b/Framework/DataHandling/src/LoadILLTOF2.cpp
@@ -38,8 +38,8 @@ int LoadILLTOF2::confidence(Kernel::NexusDescriptor &descriptor) const {
if (descriptor.pathExists("/entry0/wavelength") &&
descriptor.pathExists("/entry0/experiment_identifier") &&
descriptor.pathExists("/entry0/mode") &&
- !descriptor.pathExists(
- "/entry0/dataSD") // This one is for LoadILLIndirect
+ !descriptor.pathExists("/entry0/dataSD") // This one is for
+ // LoadILLIndirect
&&
!descriptor.pathExists(
"/entry0/instrument/VirtualChopper") // This one is for
@@ -354,24 +354,13 @@ void LoadILLTOF2::loadDataIntoTheWorkSpace(
auto const &instrument = m_localWorkspace->getInstrument();
- const auto monitorIDs = instrument->getMonitors();
-
- for (const auto &monitor : monitors) {
- m_localWorkspace->setHistogram(spec, m_localWorkspace->binEdges(0),
- Counts(monitor.begin(), monitor.end()));
- m_localWorkspace->getSpectrum(spec).setDetectorID(monitorIDs[spec]);
- spec++;
- }
-
const std::vector<detid_t> detectorIDs = instrument->getDetectorIDs(true);
- const size_t numberOfMonitors = monitors.size();
Progress progress(this, 0, 1, m_numberOfTubes * m_numberOfPixelsPerTube);
- loadSpectra(spec, numberOfMonitors, m_numberOfTubes, detectorIDs, data,
- progress);
+ loadSpectra(spec, m_numberOfTubes, detectorIDs, data, progress);
- g_log.debug() << "Loading data into the workspace: DONE!\n";
+ g_log.debug() << "Loading detector data into the workspace: DONE!\n";
/**
* IN4 Rosace detectors are in a different NeXus entry
@@ -389,8 +378,17 @@ void LoadILLTOF2::loadDataIntoTheWorkSpace(
Progress progressRosace(this, 0, 1,
numberOfTubes * m_numberOfPixelsPerTube);
- loadSpectra(spec, numberOfMonitors, numberOfTubes, detectorIDs, dataRosace,
- progressRosace);
+ loadSpectra(spec, numberOfTubes, detectorIDs, dataRosace, progressRosace);
+ }
+
+ const auto monitorIDs = instrument->getMonitors();
+
+ for (size_t i = 0; i < monitors.size(); ++i) {
+ const auto &monitor = monitors[i];
+ m_localWorkspace->setHistogram(spec, m_localWorkspace->binEdges(0),
+ Counts(monitor.begin(), monitor.end()));
+ m_localWorkspace->getSpectrum(spec).setDetectorID(monitorIDs[i]);
+ spec++;
}
}
@@ -399,14 +397,12 @@ void LoadILLTOF2::loadDataIntoTheWorkSpace(
* of detector types in the workspace.
*
* @param spec The current spectrum id
- * @param numberOfMonitors The number of monitors in the workspace
* @param numberOfTubes The number of detector tubes in the workspace
* @param detectorIDs A list of all of the detector IDs
* @param data The NeXus data to load into the workspace
* @param progress The progress monitor
*/
-void LoadILLTOF2::loadSpectra(size_t &spec, const size_t numberOfMonitors,
- const size_t numberOfTubes,
+void LoadILLTOF2::loadSpectra(size_t &spec, const size_t numberOfTubes,
const std::vector<detid_t> &detectorIDs,
NXInt data, Progress progress) {
for (size_t i = 0; i < numberOfTubes; ++i) {
@@ -415,8 +411,7 @@ void LoadILLTOF2::loadSpectra(size_t &spec, const size_t numberOfMonitors,
m_localWorkspace->setHistogram(
spec, m_localWorkspace->binEdges(0),
Counts(data_p, data_p + m_numberOfChannels));
- m_localWorkspace->getSpectrum(spec)
- .setDetectorID(detectorIDs[spec - numberOfMonitors]);
+ m_localWorkspace->getSpectrum(spec).setDetectorID(detectorIDs[spec]);
spec++;
progress.report();
}
diff --git a/Framework/DataHandling/src/LoadInstrumentFromNexus.cpp b/Framework/DataHandling/src/LoadInstrumentFromNexus.cpp
index 244238282618ea460e7bf90a8b04980ef998ad44..cc743db6a48fe2cb9801c9c4a2b72872d25f355f 100644
--- a/Framework/DataHandling/src/LoadInstrumentFromNexus.cpp
+++ b/Framework/DataHandling/src/LoadInstrumentFromNexus.cpp
@@ -86,61 +86,6 @@ void LoadInstrumentFromNexus::exec() {
}
source->setPos(0.0, -1.0 * l1, 0.0);
progress(1.0);
-
- // add detectors
- /* **** Ignoring all this for the moment - the sample Nexus files do not
- contain most of these values
-
- const int numDetector = nxload.i_det; // number of detectors
- const int* const detID = nxload.udet; // detector IDs
- const float* const r = nxload.len2; // distance from sample
- const float* const angle = nxload.tthe; // angle between indicent beam and
- direction from sample to detector (two-theta)
-
- for (int i = 0; i < numDetector; ++i)
- {
- // Create a new detector. Instrument will take ownership of pointer so no
- need to delete.
- Geometry::Detector *detector = new Geometry::Detector("det",samplepos);
- Kernel::V3D pos;
- pos.spherical(r[i], angle[i], 0.0);
- detector->setPos(pos);
-
- // set detector ID, add copy to instrument and mark it
- detector->setID(detID[i]);
- instrument->add(detector);
- instrument->markAsDetector(detector);
- }
-
- // Now mark the up the monitors
- const int numMonitors = nxload.i_mon; // The number of monitors
- const int* const monIndex = nxload.mdet; // Index into the udet array for
- each monitor
- for (int j = 0; j < numMonitors; ++j)
- {
- const int detectorToMark = detID[monIndex[j]-1];
- Geometry::Detector *det =
- dynamic_cast<Geometry::Detector*>(instrument->getDetector(detectorToMark));
- det->markAsMonitor();
- g_log.information() << "Detector with ID " << detectorToMark << " marked as
- a monitor.\n";
- }
-
- // Information to the user about what info is extracted from nexus file
- g_log.information() << "SamplePos component added with position set to
- (0,0,0).\n"
- << "Detector components added with position coordinates assumed to be
- relative to the position of the sample; \n"
- << "L2 and two-theta values were read from nexus file and used to set the r
- and theta spherical coordinates; \n"
- << "the remaining spherical coordinate phi was set to zero.\n"
- << "Source component added with position set to (0,-" << l1 << ",0). In
- standard configuration, with \n"
- << "the beam along y-axis pointing from source to sample, this implies the
- source is " << l1 << "m in front \n"
- << "of the sample. This value can be changed via the 'instrument.l1'
- configuration property.\n";
- */
}
} // namespace DataHandling
diff --git a/Framework/DataHandling/src/LoadIsawDetCal.cpp b/Framework/DataHandling/src/LoadIsawDetCal.cpp
index 3161595226e6dfc4a70aa29ab5c2ad6a6221b57a..a3f73382572bd5982aef66246fc57d8e5662b830 100644
--- a/Framework/DataHandling/src/LoadIsawDetCal.cpp
+++ b/Framework/DataHandling/src/LoadIsawDetCal.cpp
@@ -1,5 +1,6 @@
#include "MantidDataHandling/LoadIsawDetCal.h"
+#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/InstrumentValidator.h"
#include "MantidAPI/MultipleFileProperty.h"
@@ -11,7 +12,6 @@
#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/Instrument.h"
-#include "MantidGeometry/Instrument/ComponentHelper.h"
#include "MantidGeometry/Instrument/ObjCompAssembly.h"
#include "MantidGeometry/Instrument/RectangularDetector.h"
@@ -195,6 +195,10 @@ void LoadIsawDetCal::exec() {
}
}
+ auto expInfoWS = boost::dynamic_pointer_cast<ExperimentInfo>(ws);
+ auto &detectorInfo = expInfoWS->mutableDetectorInfo();
+ std::vector<ComponentScaling> rectangularDetectorScalings;
+
while (std::getline(input, line)) {
if (line[0] == '7') {
double mL1, mT0;
@@ -202,33 +206,26 @@ void LoadIsawDetCal::exec() {
setProperty("TimeOffset", mT0);
// Convert from cm to m
if (instname.compare("WISH") == 0)
- center(0.0, 0.0, -0.01 * mL1, "undulator", ws);
+ center(0.0, 0.0, -mL1, "undulator", ws, detectorInfo);
else
- center(0.0, 0.0, -0.01 * mL1, "moderator", ws);
+ center(0.0, 0.0, -mL1, "moderator", ws, detectorInfo);
// mT0 and time of flight are both in microsec
if (inputW) {
API::Run &run = inputW->mutableRun();
// Check to see if LoadEventNexus had T0 from TOPAZ Parameter file
+ IAlgorithm_sptr alg1 = createChildAlgorithm("ChangeBinOffset");
+ alg1->setProperty<MatrixWorkspace_sptr>("InputWorkspace", inputW);
+ alg1->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", inputW);
if (run.hasProperty("T0")) {
double T0IDF = run.getPropertyValueAsType<double>("T0");
- IAlgorithm_sptr alg1 = createChildAlgorithm("ChangeBinOffset");
- alg1->setProperty<MatrixWorkspace_sptr>("InputWorkspace", inputW);
- alg1->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", inputW);
alg1->setProperty("Offset", mT0 - T0IDF);
- alg1->executeAsChildAlg();
- inputW = alg1->getProperty("OutputWorkspace");
- // set T0 in the run parameters
- run.addProperty<double>("T0", mT0, true);
} else {
- IAlgorithm_sptr alg1 = createChildAlgorithm("ChangeBinOffset");
- alg1->setProperty<MatrixWorkspace_sptr>("InputWorkspace", inputW);
- alg1->setProperty<MatrixWorkspace_sptr>("OutputWorkspace", inputW);
alg1->setProperty("Offset", mT0);
- alg1->executeAsChildAlg();
- inputW = alg1->getProperty("OutputWorkspace");
- // set T0 in the run parameters
- run.addProperty<double>("T0", mT0, true);
}
+ alg1->executeAsChildAlg();
+ inputW = alg1->getProperty("OutputWorkspace");
+ // set T0 in the run parameters
+ run.addProperty<double>("T0", mT0, true);
}
}
@@ -262,75 +259,21 @@ void LoadIsawDetCal::exec() {
if (matchingDetector != detList.end()) {
det = *matchingDetector;
}
+
+ V3D rX(base_x, base_y, base_z);
+ V3D rY(up_x, up_y, up_z);
+
if (det) {
detname = det->getName();
- IAlgorithm_sptr alg1 = createChildAlgorithm("ResizeRectangularDetector");
- alg1->setProperty<Workspace_sptr>("Workspace", ws);
- alg1->setProperty("ComponentName", detname);
- // Convert from cm to m
- alg1->setProperty("ScaleX", 0.01 * width / det->xsize());
- alg1->setProperty("ScaleY", 0.01 * height / det->ysize());
- alg1->executeAsChildAlg();
+ center(x, y, z, detname, ws, detectorInfo);
- // Convert from cm to m
- x *= 0.01;
- y *= 0.01;
- z *= 0.01;
- center(x, y, z, detname, ws);
-
- // These are the ISAW axes
- V3D rX(base_x, base_y, base_z);
- rX.normalize();
- V3D rY(up_x, up_y, up_z);
- rY.normalize();
- // V3D rZ=rX.cross_prod(rY);
-
- // These are the original axes
- const V3D oX(1., 0., 0.);
- const V3D oY(0., 1., 0.);
-
- // Axis that rotates X
- V3D ax1 = oX.cross_prod(rX);
- // Rotation angle from oX to rX
- const double angle1 = oX.angle(rX) * DegreesPerRadian;
- // Create the first quaternion
- Quat Q1(angle1, ax1);
-
- // Now we rotate the original Y using Q1
- V3D roY = oY;
- Q1.rotate(roY);
- // Find the axis that rotates oYr onto rY
- V3D ax2 = roY.cross_prod(rY);
- const double angle2 = roY.angle(rY) * DegreesPerRadian;
- Quat Q2(angle2, ax2);
-
- // Final = those two rotations in succession; Q1 is done first.
- Quat Rot = Q2 * Q1;
-
- // Then find the corresponding relative position
- const auto comp = inst->getComponentByName(detname);
- const auto parent = comp->getParent();
- if (parent) {
- Quat rot0 = parent->getRelativeRot();
- rot0.inverse();
- Rot *= rot0;
- }
- const auto grandparent = parent->getParent();
- if (grandparent) {
- Quat rot0 = grandparent->getRelativeRot();
- rot0.inverse();
- Rot *= rot0;
- }
+ ComponentScaling detScaling;
+ detScaling.scaleX = CM_TO_M * width / det->xsize();
+ detScaling.scaleY = CM_TO_M * height / det->ysize();
+ detScaling.componentName = detname;
+ rectangularDetectorScalings.push_back(detScaling);
- if (inputW) {
- Geometry::ParameterMap &pmap = inputW->instrumentParameters();
- // Set or overwrite "rot" instrument parameter.
- pmap.addQuat(comp.get(), "rot", Rot);
- } else if (inputP) {
- Geometry::ParameterMap &pmap = inputP->instrumentParameters();
- // Set or overwrite "rot" instrument parameter.
- pmap.addQuat(comp.get(), "rot", Rot);
- }
+ doRotation(rX, rY, detectorInfo, det);
}
auto bank = uniqueBanks.find(id);
if (bank == uniqueBanks.end())
@@ -350,72 +293,19 @@ void LoadIsawDetCal::exec() {
comp = children[0];
}
if (comp) {
- // Omitted resizing tubes
-
- // Convert from cm to m
- x *= 0.01;
- y *= 0.01;
- z *= 0.01;
+ // Omitted scaling tubes
detname = comp->getFullName();
- center(x, y, z, detname, ws);
-
- // These are the ISAW axes
- V3D rX(base_x, base_y, base_z);
- rX.normalize();
- V3D rY(up_x, up_y, up_z);
- rY.normalize();
- // V3D rZ=rX.cross_prod(rY);
-
- // These are the original axes
- const V3D oX(1., 0., 0.);
- const V3D oY(0., 1., 0.);
-
- // Axis that rotates X
- V3D ax1 = oX.cross_prod(rX);
- // Rotation angle from oX to rX
- double angle1 = oX.angle(rX) * DegreesPerRadian;
- // TODO: find out why this is needed for WISH
- if (instname == "WISH")
- angle1 += 180.0;
- // Create the first quaternion
- Quat Q1(angle1, ax1);
-
- // Now we rotate the original Y using Q1
- V3D roY = oY;
- Q1.rotate(roY);
- // Find the axis that rotates oYr onto rY
- V3D ax2 = roY.cross_prod(rY);
- const double angle2 = roY.angle(rY) * DegreesPerRadian;
- Quat Q2(angle2, ax2);
-
- // Final = those two rotations in succession; Q1 is done first.
- Quat Rot = Q2 * Q1;
-
- const auto parent = comp->getParent();
- if (parent) {
- Quat rot0 = parent->getRelativeRot();
- rot0.inverse();
- Rot = Rot * rot0;
- }
- const auto grandparent = parent->getParent();
- if (grandparent) {
- Quat rot0 = grandparent->getRelativeRot();
- rot0.inverse();
- Rot = Rot * rot0;
- }
+ center(x, y, z, detname, ws, detectorInfo);
- if (inputW) {
- Geometry::ParameterMap &pmap = inputW->instrumentParameters();
- // Set or overwrite "rot" instrument parameter.
- pmap.addQuat(comp.get(), "rot", Rot);
- } else if (inputP) {
- Geometry::ParameterMap &pmap = inputP->instrumentParameters();
- // Set or overwrite "rot" instrument parameter.
- pmap.addQuat(comp.get(), "rot", Rot);
- }
+ bool doWishCorrection =
+ (instname == "WISH"); // TODO: find out why this is needed for WISH
+ doRotation(rX, rY, detectorInfo, comp, doWishCorrection);
}
}
+ // Do this last, to avoid the issue of invalidating DetectorInfo
+ applyScalings(ws, rectangularDetectorScalings);
+
setProperty("InputWorkspace", ws);
}
@@ -427,39 +317,24 @@ void LoadIsawDetCal::exec() {
* @param z :: The shift along the Z-axis
* @param detname :: The detector name
* @param ws :: The workspace
+ * @param detectorInfo :: The detector info object for the workspace
*/
-
void LoadIsawDetCal::center(const double x, const double y, const double z,
- const std::string &detname,
- API::Workspace_sptr ws) {
+ const std::string &detname, API::Workspace_sptr ws,
+ API::DetectorInfo &detectorInfo) {
Instrument_sptr inst = getCheckInst(ws);
IComponent_const_sptr comp = inst->getComponentByName(detname);
if (comp == nullptr) {
- std::ostringstream mess;
- mess << "Component with name " << detname << " was not found.";
- g_log.error(mess.str());
- throw std::runtime_error(mess.str());
+ throw std::runtime_error("Component with name " + detname +
+ " was not found.");
}
- using namespace Geometry::ComponentHelper;
- const TransformType positionType = Absolute;
- const V3D position(x, y, z);
+ const V3D position(x * CM_TO_M, y * CM_TO_M, z * CM_TO_M);
// Do the move
- MatrixWorkspace_sptr inputW =
- boost::dynamic_pointer_cast<MatrixWorkspace>(ws);
- PeaksWorkspace_sptr inputP = boost::dynamic_pointer_cast<PeaksWorkspace>(ws);
- if (inputW) {
- Geometry::ParameterMap &pmap = inputW->instrumentParameters();
- Geometry::ComponentHelper::moveComponent(*comp, pmap, position,
- positionType);
- } else if (inputP) {
- Geometry::ParameterMap &pmap = inputP->instrumentParameters();
- Geometry::ComponentHelper::moveComponent(*comp, pmap, position,
- positionType);
- }
+ detectorInfo.setPosition(*comp, position);
}
/**
@@ -515,5 +390,85 @@ std::vector<std::string> LoadIsawDetCal::getFilenames() {
return filenamesFromPropertyUnraveld;
}
+/**
+ * Perform the rotation for the calibration
+ *
+ * @param rX the vector of (base_x, base_y, base_z) from the calibration file
+ * @param rY the vector of (up_x, up_y, up_z) from the calibration file
+ * @param detectorInfo the DetectorInfo object from the workspace
+ * @param comp the component to rotate
+ * @param doWishCorrection if true apply a special correction for WISH
+ */
+void LoadIsawDetCal::doRotation(V3D rX, V3D rY, DetectorInfo &detectorInfo,
+ boost::shared_ptr<const IComponent> comp,
+ bool doWishCorrection) {
+ // These are the ISAW axes
+ rX.normalize();
+ rY.normalize();
+
+ // These are the original axes
+ const V3D oX(1., 0., 0.);
+ const V3D oY(0., 1., 0.);
+
+ // Axis that rotates X
+ V3D ax1 = oX.cross_prod(rX);
+ // Rotation angle from oX to rX
+ double angle1 = oX.angle(rX) * DegreesPerRadian;
+ if (doWishCorrection)
+ angle1 += 180.0;
+ // Create the first quaternion
+ Quat Q1(angle1, ax1);
+
+ // Now we rotate the original Y using Q1
+ V3D roY = oY;
+ Q1.rotate(roY);
+ // Find the axis that rotates oYr onto rY
+ V3D ax2 = roY.cross_prod(rY);
+ const double angle2 = roY.angle(rY) * DegreesPerRadian;
+ Quat Q2(angle2, ax2);
+
+ // Final = those two rotations in succession; Q1 is done first.
+ Quat Rot = Q2 * Q1;
+
+ // Then find the corresponding relative position
+ const auto parent = comp->getParent();
+ if (parent) {
+ Quat rot0 = parent->getRelativeRot();
+ rot0.inverse();
+ Rot *= rot0;
+ }
+ const auto grandparent = parent->getParent();
+ if (grandparent) {
+ Quat rot0 = grandparent->getRelativeRot();
+ rot0.inverse();
+ Rot *= rot0;
+ }
+
+ detectorInfo.setRotation(*comp.get(), Rot);
+}
+
+/**
+ * Apply the scalings from the calibration file. This is called after doing the
+ *moves and rotations associated with the calibration, to avoid the problem of
+ *invalidation DetectorInfo after writing to the parameter map.
+ *
+ * @param ws the input workspace
+ * @param rectangularDetectorScalings a vector containing a component ID, and
+ *values for scalex and scaley
+ */
+void LoadIsawDetCal::applyScalings(
+ Workspace_sptr &ws,
+ const std::vector<ComponentScaling> &rectangularDetectorScalings) {
+
+ for (const auto &scaling : rectangularDetectorScalings) {
+ IAlgorithm_sptr alg1 = createChildAlgorithm("ResizeRectangularDetector");
+ alg1->setProperty<Workspace_sptr>("Workspace", ws);
+ alg1->setProperty("ComponentName", scaling.componentName);
+ alg1->setProperty("ScaleX", scaling.scaleX);
+ alg1->setProperty("ScaleY", scaling.scaleY);
+ alg1->executeAsChildAlg();
+ }
+}
+
} // namespace Algorithm
} // namespace Mantid
diff --git a/Framework/DataHandling/src/LoadNexusProcessed.cpp b/Framework/DataHandling/src/LoadNexusProcessed.cpp
index f11fa22ae7cf40cefe2c7b55fedf0664492a9765..0a1bbd9399aed796fae37abaf2db3bb622b5cefd 100644
--- a/Framework/DataHandling/src/LoadNexusProcessed.cpp
+++ b/Framework/DataHandling/src/LoadNexusProcessed.cpp
@@ -1679,17 +1679,6 @@ std::map<std::string, std::string> LoadNexusProcessed::validateInputs() {
errorList["SpectrumMax"] = "SpectrumMax must be larger than SpectrumMin";
}
- // Next check that SpecMax is less than maximum int
- if (specMax > INT_MAX) {
- errorList["SpectrumMax"] =
- "SpectrumMax must be less than " + to_string(INT_MAX);
- }
-
- if (specMin > INT_MAX) {
- errorList["SpectrumMin"] =
- "SpectrumMin must be less than " + to_string(INT_MAX);
- }
-
// Finished testing return any errors
return errorList;
}
diff --git a/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp b/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
index be6ffb3b60bb64b361ac6aef5195a866693fa87d..4b05fe1d2ea7d732e5829e19769804888e0632ce 100644
--- a/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
+++ b/Framework/DataHandling/src/LoadSpiceXML2DDet.cpp
@@ -227,11 +227,19 @@ void LoadSpiceXML2DDet::processInputs() {
m_detXMLFileName = getPropertyValue("Filename");
m_detXMLNodeName = getPropertyValue("DetectorLogName");
std::vector<size_t> vec_pixelgeom = getProperty("DetectorGeometry");
- if (vec_pixelgeom.size() != 2) {
- throw std::runtime_error("Input pixels geometry is not correct in format.");
+ if (vec_pixelgeom.size() == 2) {
+ m_numPixelX = vec_pixelgeom[0];
+ m_numPixelY = vec_pixelgeom[1];
+ } else if (vec_pixelgeom.size() == 0) {
+ m_numPixelX = 0;
+ m_numPixelY = 0;
+ } else {
+ throw std::runtime_error("Input pixels geometry is not correct in format. "
+ "It either has 2 integers or left empty to get "
+ "determined automatically.");
}
- m_numPixelX = vec_pixelgeom[0];
- m_numPixelY = vec_pixelgeom[1];
+ g_log.debug() << "User input poixels numbers: " << m_numPixelX << ", "
+ << m_numPixelY << "\n";
m_loadInstrument = getProperty("LoadInstrument");
@@ -318,8 +326,12 @@ void LoadSpiceXML2DDet::exec() {
// Create output workspace
MatrixWorkspace_sptr outws;
- outws = createMatrixWorkspace(vec_xmlnode, m_numPixelX, m_numPixelY,
- m_detXMLNodeName, m_loadInstrument);
+ if (m_numPixelX * m_numPixelY > 0)
+ outws = createMatrixWorkspace(vec_xmlnode, m_numPixelX, m_numPixelY,
+ m_detXMLNodeName, m_loadInstrument);
+ else
+ outws = createMatrixWorkspaceVersion2(vec_xmlnode, m_detXMLNodeName,
+ m_loadInstrument);
// Set up log for loading instrument
bool can_set_instrument = setupSampleLogs(outws);
@@ -454,6 +466,8 @@ MatrixWorkspace_sptr LoadSpiceXML2DDet::createMatrixWorkspace(
const size_t &numpixely, const std::string &detnodename,
const bool &loadinstrument) {
+ // TODO FIXME - If version 2 works, then this version will be discarded
+
// Create matrix workspace
MatrixWorkspace_sptr outws;
@@ -512,8 +526,8 @@ MatrixWorkspace_sptr LoadSpiceXML2DDet::createMatrixWorkspace(
// in Y direction
if (veccounts.size() != numpixely) {
std::stringstream errss;
- errss << "Row " << i_col << " contains " << veccounts.size()
- << " items other than " << numpixely
+ errss << "[Version 1] Row " << i_col << " contains "
+ << veccounts.size() << " items other than " << numpixely
<< " counts specified by user.";
throw std::runtime_error(errss.str());
}
@@ -571,10 +585,16 @@ MatrixWorkspace_sptr LoadSpiceXML2DDet::createMatrixWorkspace(
g_log.debug() << "Log name / xml node : " << xmlnode.getName()
<< " (int) value = " << ivalue << "\n";
} else {
+ std::string str_value(nodevalue);
+ if (nodename.compare("start_time") == 0) {
+ // replace 2015-01-17 13:36:45 by 2015-01-17T13:36:45
+ str_value = nodevalue;
+ str_value.replace(10, 1, "T");
+ g_log.debug() << "Replace start_time " << nodevalue
+ << " by Mantid time format " << str_value << "\n";
+ }
outws->mutableRun().addProperty(
- new PropertyWithValue<std::string>(nodename, nodevalue));
- g_log.debug() << "Log name / xml node : " << xmlnode.getName()
- << " (string) value = " << nodevalue << "\n";
+ new PropertyWithValue<std::string>(nodename, str_value));
}
}
}
@@ -592,6 +612,214 @@ MatrixWorkspace_sptr LoadSpiceXML2DDet::createMatrixWorkspace(
return outws;
}
+/** create the output matrix workspace without knowledge of detector geometry
+ *
+ */
+MatrixWorkspace_sptr LoadSpiceXML2DDet::createMatrixWorkspaceVersion2(
+ const std::vector<SpiceXMLNode> &vecxmlnode, const std::string &detnodename,
+ const bool &loadinstrument) {
+
+ // Create matrix workspace
+ MatrixWorkspace_sptr outws;
+
+ // Go through all XML nodes to process
+ size_t numxmlnodes = vecxmlnode.size();
+ bool parsedDet = false;
+ double max_counts = 0.;
+
+ // define log value map
+ std::map<std::string, std::string> str_log_map;
+ std::map<std::string, double> dbl_log_map;
+ std::map<std::string, int> int_log_map;
+
+ for (size_t n = 0; n < numxmlnodes; ++n) {
+ // Process node for detector's count
+ const SpiceXMLNode &xmlnode = vecxmlnode[n];
+ if (xmlnode.getName().compare(detnodename) == 0) {
+ // Get node value string (256x256 as a whole)
+ const std::string detvaluestr = xmlnode.getValue();
+
+ outws = this->parseDetectorNode(detvaluestr, loadinstrument, max_counts);
+
+ // Set flag
+ parsedDet = true;
+ } else {
+ // Parse to log: because there is no start time. so all logs are single
+ // value type
+ const std::string nodename = xmlnode.getName();
+ const std::string nodevalue = xmlnode.getValue();
+ if (xmlnode.isDouble()) {
+ double dvalue = atof(nodevalue.c_str());
+ dbl_log_map.emplace(nodename, dvalue);
+ } else if (xmlnode.isInteger()) {
+ int ivalue = atoi(nodevalue.c_str());
+ int_log_map.emplace(nodename, ivalue);
+ } else {
+ if (nodename.compare("start_time") == 0) {
+ // replace 2015-01-17 13:36:45 by 2015-01-17T13:36:45
+ std::string str_value(nodevalue);
+ str_value.replace(10, 1, "T");
+ g_log.debug() << "Replace start_time " << nodevalue
+ << " by Mantid time format " << str_value << "\n";
+ str_log_map.emplace(nodename, str_value);
+ } else
+ str_log_map.emplace(nodename, nodevalue);
+ } // END-IF-ELSE (node value type)
+ } // END-IF-ELSE (detector-node or log node)
+ } // END-FOR (xml nodes)
+
+ // Add the property to output workspace
+ for (std::map<std::string, std::string>::iterator miter = str_log_map.begin();
+ miter != str_log_map.end(); ++miter) {
+ outws->mutableRun().addProperty(
+ new PropertyWithValue<std::string>(miter->first, miter->second));
+ }
+ for (std::map<std::string, int>::iterator miter = int_log_map.begin();
+ miter != int_log_map.end(); ++miter) {
+ outws->mutableRun().addProperty(
+ new PropertyWithValue<int>(miter->first, miter->second));
+ }
+ for (std::map<std::string, double>::iterator miter = dbl_log_map.begin();
+ miter != dbl_log_map.end(); ++miter) {
+ outws->mutableRun().addProperty(
+ new PropertyWithValue<double>(miter->first, miter->second));
+ }
+
+ // Raise exception if no detector node is found
+ if (!parsedDet) {
+ std::stringstream errss;
+ errss << "Unable to find an XML node of name " << detnodename
+ << ". Unable to load 2D detector XML file.";
+ throw std::runtime_error(errss.str());
+ }
+
+ g_log.notice() << "Maximum detector count on it is " << max_counts << "\n";
+
+ return outws;
+}
+
+/**
+ */
+API::MatrixWorkspace_sptr
+LoadSpiceXML2DDet::parseDetectorNode(const std::string &detvaluestr,
+ bool loadinstrument, double &max_counts) {
+ // Split to lines
+ std::vector<std::string> vecLines;
+ boost::split(vecLines, detvaluestr, boost::algorithm::is_any_of("\n"));
+ g_log.debug() << "There are " << vecLines.size() << " lines"
+ << "\n";
+
+ // determine the number of pixels at X direction (bear in mind that the XML
+ // file records data in column major)
+ 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)
+ ++num_empty_line;
+ else if (vecLines[iline].size() < 100)
+ ++num_weird_line;
+ }
+ size_t num_pixel_x = vecLines.size() - num_empty_line - num_weird_line;
+ g_log.information() << "There are " << num_empty_line << " lines and "
+ << num_weird_line << " lines are not regular.\n";
+
+ // read the first line to determine the number of pixels at X direction
+ size_t first_regular_line = 0;
+ if (vecLines[first_regular_line].size() < 100)
+ ++first_regular_line;
+ std::vector<std::string> veccounts;
+ boost::split(veccounts, vecLines[first_regular_line],
+ boost::algorithm::is_any_of(" \t"));
+ size_t num_pixel_y = veccounts.size();
+
+ // create output workspace
+ MatrixWorkspace_sptr outws;
+
+ if (loadinstrument) {
+ size_t numspec = num_pixel_x * num_pixel_y;
+ outws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ WorkspaceFactory::Instance().create("Workspace2D", numspec, 2, 1));
+ } else {
+ outws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ WorkspaceFactory::Instance().create("Workspace2D", num_pixel_y,
+ num_pixel_x, num_pixel_x));
+ }
+
+ // XML file records data in the order of column-major
+ // FIXME - This may waste the previous result by parsing first line
+ size_t i_col = 0;
+ max_counts = 0;
+ for (size_t i = first_regular_line; i < vecLines.size(); ++i) {
+ std::string &line = vecLines[i];
+
+ // skip empty lines
+ if (line.size() < 100)
+ continue;
+
+ // Skip empty line
+ if (line.empty()) {
+ g_log.debug() << "\tFound empty Line at " << i << "\n";
+ continue;
+ }
+
+ // Check whether it exceeds boundary
+ if (i_col == num_pixel_x) {
+ std::stringstream errss;
+ errss << "Number of non-empty rows (" << i_col + 1
+ << ") in detector data "
+ << "exceeds user defined geometry size " << num_pixel_x << ".";
+ throw std::runtime_error(errss.str());
+ }
+
+ // Split line
+ std::vector<std::string> veccounts;
+ boost::split(veccounts, line, boost::algorithm::is_any_of(" \t"));
+
+ // check number of counts per column should not exceeds number of pixels
+ // in Y direction
+ if (veccounts.size() != num_pixel_y) {
+ std::stringstream errss;
+ errss << "Row " << i_col << " contains " << veccounts.size()
+ << " items other than " << num_pixel_y
+ << " counts specified by user.";
+ throw std::runtime_error(errss.str());
+ }
+
+ // scan per column
+ for (size_t j_row = 0; j_row < veccounts.size(); ++j_row) {
+ double counts = atof(veccounts[j_row].c_str());
+ size_t rowIndex, columnIndex;
+
+ if (loadinstrument) {
+ // the detector ID and ws index are set up in column-major too!
+ rowIndex = i_col * num_pixel_x + j_row;
+ columnIndex = 0;
+ } else {
+ rowIndex = j_row;
+ columnIndex = i_col;
+ }
+
+ outws->mutableX(rowIndex)[columnIndex] = static_cast<double>(columnIndex);
+ outws->mutableY(rowIndex)[columnIndex] = counts;
+
+ if (counts > 0)
+ outws->mutableE(rowIndex)[columnIndex] = sqrt(counts);
+ else
+ outws->mutableE(rowIndex)[columnIndex] = 1.0;
+
+ // record max count
+ if (counts > max_counts) {
+ max_counts = counts;
+ }
+ }
+
+ // Update column index (i.e., column number)
+ i_col += 1;
+ } // END-FOR (i-vec line)
+
+ return outws;
+}
+
/** Set up sample logs from table workspace loaded where SPICE data file is
* loaded
* @brief LoadSpiceXML2DDet::setupSampleLogFromSpiceTable
diff --git a/Framework/DataHandling/src/LoadVulcanCalFile.cpp b/Framework/DataHandling/src/LoadVulcanCalFile.cpp
index aa7a7e8fe2b8888763a17ddec295157705d3ac96..702718b68ae76c1afde3da97cb3426e7d51e955a 100644
--- a/Framework/DataHandling/src/LoadVulcanCalFile.cpp
+++ b/Framework/DataHandling/src/LoadVulcanCalFile.cpp
@@ -352,11 +352,12 @@ void LoadVulcanCalFile::processOffsets(
std::map<detid_t, double> map_detoffset) {
size_t numspec = m_tofOffsetsWS->getNumberHistograms();
+ const auto &spectrumInfo = m_tofOffsetsWS->spectrumInfo();
+
// Map from Mantid instrument to VULCAN offset
map<detid_t, size_t> map_det2index;
for (size_t i = 0; i < numspec; ++i) {
- Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(i);
- detid_t tmpid = det->getID();
+ detid_t tmpid = spectrumInfo.detector(i).getID();
// Map between detector ID and workspace index
map_det2index.emplace(tmpid, i);
@@ -374,8 +375,8 @@ void LoadVulcanCalFile::processOffsets(
} else {
size_t wsindex = fiter->second;
// Get bank ID from instrument tree
- Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(wsindex);
- Geometry::IComponent_const_sptr parent = det->getParent();
+ const auto &det = spectrumInfo.detector(wsindex);
+ Geometry::IComponent_const_sptr parent = det.getParent();
string pname = parent->getName();
vector<string> terms;
@@ -456,7 +457,7 @@ void LoadVulcanCalFile::processOffsets(
map<detid_t, double>::iterator offsetiter;
map<int, double>::iterator bankcorriter;
for (size_t iws = 0; iws < numspec; ++iws) {
- detid_t detid = m_tofOffsetsWS->getDetector(iws)->getID();
+ detid_t detid = spectrumInfo.detector(iws).getID();
offsetiter = map_detoffset.find(detid);
if (offsetiter == map_detoffset.end())
throw runtime_error("It cannot happen!");
@@ -514,40 +515,19 @@ void LoadVulcanCalFile::convertOffsets() {
size_t numspec = m_tofOffsetsWS->getNumberHistograms();
// Instrument parameters
- double l1;
- Kernel::V3D beamline, samplePos;
- double beamline_norm;
-
- m_instrument->getInstrumentParameters(l1, beamline, beamline_norm, samplePos);
- g_log.debug() << "Beam line = " << beamline.X() << ", " << beamline.Y()
- << ", " << beamline.Z() << "\n";
-
- // FIXME - The simple version of the algorithm to calculate 2theta is used
- // here.
- // A check will be made to raise exception if the condition is not met
- // to use the simple version.
- double s_r, s_2theta, s_phi;
- s_r = s_2theta = s_phi = 0.;
- samplePos.spherical(s_r, s_2theta, s_phi);
- if (fabs(beamline.X()) > 1.0E-20 || fabs(beamline.Y()) > 1.0E-20 ||
- s_r > 1.0E-20)
- throw runtime_error(
- "Source is not at (0, 0, Z) or sample is not at (0, 0, 0). "
- "The simple version to calcualte detector's 2theta fails on this "
- "situation.");
+ const auto &spectrumInfo = m_tofOffsetsWS->spectrumInfo();
+ double l1 = spectrumInfo.l1();
map<int, pair<double, double>>::iterator mfiter;
for (size_t iws = 0; iws < numspec; ++iws) {
// Get detector's information including bank belonged to and geometry
// parameters
- Geometry::IDetector_const_sptr det = m_tofOffsetsWS->getDetector(iws);
- V3D detPos = det->getPos();
- detid_t detid = det->getID();
+ detid_t detid = spectrumInfo.detector(iws).getID();
int bankid = detid / static_cast<int>(NUMBERRESERVEDPERMODULE);
- double l2, twotheta, phi;
- detPos.getSpherical(l2, twotheta, phi);
+ double l2 = spectrumInfo.l2(iws);
+ double twotheta = spectrumInfo.twoTheta(iws);
// Get effective
mfiter = m_effLTheta.find(bankid);
@@ -560,7 +540,7 @@ void LoadVulcanCalFile::convertOffsets() {
// Calcualte converted offset
double vuloffset = m_tofOffsetsWS->y(iws)[0];
- double manoffset = (totL * sin(twotheta * 0.5 * M_PI / 180.)) /
+ double manoffset = (totL * sin(twotheta * 0.5)) /
(effL * sin(effTheta * M_PI / 180.)) / vuloffset -
1.;
m_offsetsWS->mutableY(iws)[0] = manoffset;
diff --git a/Framework/DataHandling/src/RawFileInfo.cpp b/Framework/DataHandling/src/RawFileInfo.cpp
index 02d9bce0e14e78515e5c32d2bd6500d2d9a7484c..45df6380c68388e85ee127d4d8cce600b0541a87 100644
--- a/Framework/DataHandling/src/RawFileInfo.cpp
+++ b/Framework/DataHandling/src/RawFileInfo.cpp
@@ -93,6 +93,10 @@ void RawFileInfo::init() {
"If this is true, the parameters from the RPB struct are "
"placed into a TableWorkspace called Raw_RPB",
Direction::Input);
+ declareProperty("GetSampleParameters", false,
+ "If this is true, the parameters from the SPB struct are "
+ "placed into a TableWorkspace called Raw_SPB. ",
+ Direction::Input);
declareProperty("RunTitle", std::string(""),
"The run title from the HDR struct", Direction::Output);
declareProperty("RunHeader", std::string(""), "The run header",
@@ -191,6 +195,77 @@ void RawFileInfo::exec() {
setProperty("RunParameterTable", run_table);
}
+ bool getSampleParameters = getProperty("GetSampleParameters");
+ if (getSampleParameters) {
+ declareProperty(make_unique<WorkspaceProperty<API::ITableWorkspace>>(
+ "SampleParameterTable", "Raw_SPB", Direction::Output),
+ "The name of the TableWorkspace in which to store the list "
+ "of sample parameters");
+
+ API::ITableWorkspace_sptr sample_table =
+ WorkspaceFactory::Instance().createTable("TableWorkspace");
+ sample_table->addColumn("int", "e_posn"); //< sample changer position
+ sample_table->addColumn(
+ "int", "e_type"); //< sample type (1=sample+can,2=empty can)
+ sample_table->addColumn("int", "e_geom"); //< sample geometry
+ sample_table->addColumn(
+ "double", "e_thick"); //< sample thickness normal to sample (mm)
+ sample_table->addColumn("double", "e_height"); //< sample height (mm)
+ sample_table->addColumn("double", "e_width"); //< sample width (mm)
+ sample_table->addColumn("double",
+ "e_omega"); //< omega sample angle (degrees)
+ sample_table->addColumn("double", "e_chi"); //< chi sample angle (degrees)
+ sample_table->addColumn("double", "e_phi"); //< phi sample angle (degrees)
+ sample_table->addColumn(
+ "double", "e_scatt"); //< scattering geometry (1=trans, 2 =reflect)
+ sample_table->addColumn(
+ "double",
+ "e_xscatt"); //< sample coherent scattering cross section (barn)
+ sample_table->addColumn("double",
+ "samp_cs_inc"); //< sample incoherent cross section
+ sample_table->addColumn("double",
+ "samp_cs_abs"); //< sample absorption cross section
+ sample_table->addColumn("double",
+ "e_dens"); //< sample number density (atoms.A-3)
+ sample_table->addColumn("double", "e_canthick"); //< can wall thickness (mm)
+ sample_table->addColumn(
+ "double",
+ "e_canxsect"); //< can coherent scattering cross section (barn)
+ sample_table->addColumn("double", "can_cs_inc"); //< dunno
+ sample_table->addColumn("double", "can_cs_abs"); //< dunno
+ sample_table->addColumn("double",
+ "can_nd"); //< can number density (atoms.A-3)
+ sample_table->addColumn("str",
+ "e_name"); //< sample name of chemical formula
+ sample_table->addColumn("int", "e_equip"); //< dunno
+ sample_table->addColumn("int", "e_eqname"); //< dunno
+
+ const auto nameLength = static_cast<int>(strlen(isis_raw.spb.e_name));
+ std::string name(isis_raw.spb.e_name, nameLength);
+
+ API::TableRow t = sample_table->appendRow();
+ t << isis_raw.spb.e_posn << isis_raw.spb.e_type << isis_raw.spb.e_geom
+ << static_cast<double>(isis_raw.spb.e_thick)
+ << static_cast<double>(isis_raw.spb.e_height)
+ << static_cast<double>(isis_raw.spb.e_width)
+ << static_cast<double>(isis_raw.spb.e_omega)
+ << static_cast<double>(isis_raw.spb.e_chi)
+ << static_cast<double>(isis_raw.spb.e_phi)
+ << static_cast<double>(isis_raw.spb.e_scatt)
+ << static_cast<double>(isis_raw.spb.e_xscatt)
+ << static_cast<double>(isis_raw.spb.samp_cs_inc)
+ << static_cast<double>(isis_raw.spb.samp_cs_abs)
+ << static_cast<double>(isis_raw.spb.e_dens)
+ << static_cast<double>(isis_raw.spb.e_canthick)
+ << static_cast<double>(isis_raw.spb.e_canxsect)
+ << static_cast<double>(isis_raw.spb.can_cs_inc)
+ << static_cast<double>(isis_raw.spb.can_cs_abs)
+ << static_cast<double>(isis_raw.spb.can_nd) << name
+ << isis_raw.spb.e_equip << isis_raw.spb.e_eqname;
+
+ setProperty("SampleParameterTable", sample_table);
+ }
+
// This is not going to be a slow algorithm
progress(1.0);
}
diff --git a/Framework/DataHandling/src/SaveAscii2.cpp b/Framework/DataHandling/src/SaveAscii2.cpp
index e1c8f77e98459ceee0f7a89da2bd8d24b9857989..661fc91ae71f787383f63da308c57afeddfe295c 100644
--- a/Framework/DataHandling/src/SaveAscii2.cpp
+++ b/Framework/DataHandling/src/SaveAscii2.cpp
@@ -132,7 +132,7 @@ void SaveAscii2::exec() {
findElementInUnorderedStringVector(m_metaData, "spectrumnumber");
if (containsSpectrumNumber) {
try {
- m_specToIndexMap = m_ws->getSpectrumToWorkspaceIndexMap();
+ m_ws->getSpectrumToWorkspaceIndexMap();
} catch (const std::runtime_error &) {
throw std::runtime_error("SpectrumNumber is present in "
"SpectrumMetaData but the workspace does not "
@@ -263,13 +263,13 @@ void SaveAscii2::exec() {
if (idx.empty()) {
Progress progress(this, 0, 1, nSpectra);
for (int i = 0; i < nSpectra; i++) {
- writeSpectra(i, file);
+ writeSpectrum(i, file);
progress.report();
}
} else {
Progress progress(this, 0, 1, idx.size());
for (auto i = idx.begin(); i != idx.end(); ++i) {
- writeSpectra(i, file);
+ writeSpectrum(*i, file);
progress.report();
}
}
@@ -278,56 +278,15 @@ void SaveAscii2::exec() {
file.close();
}
-/**writes a spectra to the file using an iterator
-@param spectraItr :: a set<int> iterator pointing to a set of workspace IDs to
-be saved
-@param file :: the file writer object
+/** Writes a spectrum to the file using a workspace index
+*
+* @param wsIndex :: an integer relating to a workspace index
+* @param file :: the file writer object
*/
-void SaveAscii2::writeSpectra(const std::set<int>::const_iterator &spectraItr,
- std::ofstream &file) {
- const auto specNo = m_ws->getSpectrum(*spectraItr).getSpectrumNo();
- const auto workspaceIndex = m_specToIndexMap[specNo];
- for (auto iter = m_metaData.begin(); iter != m_metaData.end(); ++iter) {
- auto value = m_metaDataMap[*iter][workspaceIndex];
- file << value;
- if (iter != m_metaData.end() - 1) {
- file << " " << m_sep << " ";
- }
- }
- file << '\n';
-
- auto pointDeltas = m_ws->pointStandardDeviations(0);
- auto points0 = m_ws->points(0);
- auto pointsSpec = m_ws->points(*spectraItr);
- for (int bin = 0; bin < m_nBins; bin++) {
- if (!m_isCommonBins) // checking for ragged workspace
- {
- file << pointsSpec[bin];
- } else {
- file << points0[bin];
- }
- file << m_sep;
- file << m_ws->y(*spectraItr)[bin];
+void SaveAscii2::writeSpectrum(const int &wsIndex, std::ofstream &file) {
- file << m_sep;
- file << m_ws->e(*spectraItr)[bin];
- if (m_writeDX) {
- file << m_sep;
- file << pointDeltas[bin];
- }
- file << '\n';
- }
-}
-
-/**writes a spectra to the file using a workspace ID
-@param spectraIndex :: an integer relating to a workspace ID
-@param file :: the file writer object
-*/
-void SaveAscii2::writeSpectra(const int &spectraIndex, std::ofstream &file) {
- const auto specNo = m_ws->getSpectrum(spectraIndex).getSpectrumNo();
- const auto workspaceIndex = m_specToIndexMap[specNo];
for (auto iter = m_metaData.begin(); iter != m_metaData.end(); ++iter) {
- auto value = m_metaDataMap[*iter][workspaceIndex];
+ auto value = m_metaDataMap[*iter][wsIndex];
file << value;
if (iter != m_metaData.end() - 1) {
file << " " << m_sep << " ";
@@ -337,7 +296,7 @@ void SaveAscii2::writeSpectra(const int &spectraIndex, std::ofstream &file) {
auto pointDeltas = m_ws->pointStandardDeviations(0);
auto points0 = m_ws->points(0);
- auto pointsSpec = m_ws->points(spectraIndex);
+ auto pointsSpec = m_ws->points(wsIndex);
for (int bin = 0; bin < m_nBins; bin++) {
if (m_isCommonBins) {
file << points0[bin];
@@ -346,10 +305,10 @@ void SaveAscii2::writeSpectra(const int &spectraIndex, std::ofstream &file) {
file << pointsSpec[bin];
}
file << m_sep;
- file << m_ws->y(spectraIndex)[bin];
+ file << m_ws->y(wsIndex)[bin];
file << m_sep;
- file << m_ws->e(spectraIndex)[bin];
+ file << m_ws->e(wsIndex)[bin];
if (m_writeDX) {
file << m_sep;
file << pointDeltas[bin];
@@ -359,11 +318,11 @@ void SaveAscii2::writeSpectra(const int &spectraIndex, std::ofstream &file) {
}
/**
- * Converts a comma separated list to a vector of strings
- * Also ensures all strings are valid input
- * @param inputString :: The user input comma separated string list
- * @return A vector of valid meta data strings
- */
+* Converts a comma separated list to a vector of strings
+* Also ensures all strings are valid input
+* @param inputString :: The user input comma separated string list
+* @return A vector of valid meta data strings
+*/
std::vector<std::string>
SaveAscii2::stringListToVector(std::string &inputString) {
const std::vector<std::string> validMetaData{"spectrumnumber", "q", "angle"};
@@ -383,22 +342,20 @@ SaveAscii2::stringListToVector(std::string &inputString) {
}
/**
- * Populate the map with the Q values associated with each spectrum in the
- * workspace
- */
+* Populate the map with the Q values associated with each spectrum in the
+* workspace
+*/
void SaveAscii2::populateQMetaData() {
std::vector<std::string> qValues;
const auto nHist = m_ws->getNumberHistograms();
const auto &spectrumInfo = m_ws->spectrumInfo();
for (size_t i = 0; i < nHist; i++) {
- const auto specNo = m_ws->getSpectrum(i).getSpectrumNo();
- const auto workspaceIndex = m_specToIndexMap[specNo];
double theta(0.0), efixed(0.0);
- if (!spectrumInfo.isMonitor(workspaceIndex)) {
- theta = 0.5 * spectrumInfo.twoTheta(workspaceIndex);
+ if (!spectrumInfo.isMonitor(i)) {
+ theta = 0.5 * spectrumInfo.twoTheta(i);
try {
boost::shared_ptr<const Geometry::IDetector> detector(
- &spectrumInfo.detector(workspaceIndex), NoDeleting());
+ &spectrumInfo.detector(i), NoDeleting());
efixed = m_ws->getEFixed(detector);
} catch (std::runtime_error) {
throw;
@@ -416,8 +373,8 @@ void SaveAscii2::populateQMetaData() {
}
/**
- * Populate the map with the SpectrumNumber for each Spectrum in the workspace
- */
+* Populate the map with the SpectrumNumber for each Spectrum in the workspace
+*/
void SaveAscii2::populateSpectrumNumberMetaData() {
std::vector<std::string> spectrumNumbers;
const size_t nHist = m_ws->getNumberHistograms();
@@ -430,16 +387,14 @@ void SaveAscii2::populateSpectrumNumberMetaData() {
}
/**
- * Populate the map with the Angle for each spectrum in the workspace
- */
+* Populate the map with the Angle for each spectrum in the workspace
+*/
void SaveAscii2::populateAngleMetaData() {
std::vector<std::string> angles;
const size_t nHist = m_ws->getNumberHistograms();
+ const auto &spectrumInfo = m_ws->spectrumInfo();
for (size_t i = 0; i < nHist; i++) {
- const auto specNo = m_ws->getSpectrum(i).getSpectrumNo();
- const auto workspaceIndex = m_specToIndexMap[specNo];
- auto det = m_ws->getDetector(workspaceIndex);
- const auto two_theta = m_ws->detectorTwoTheta(*det);
+ const auto two_theta = spectrumInfo.twoTheta(i);
constexpr double rad2deg = 180. / M_PI;
const auto angleInDeg = two_theta * rad2deg;
const auto angleInDegStr = boost::lexical_cast<std::string>(angleInDeg);
@@ -449,8 +404,8 @@ void SaveAscii2::populateAngleMetaData() {
}
/**
- * Populate all required meta data in the meta data map
- */
+* Populate all required meta data in the meta data map
+*/
void SaveAscii2::populateAllMetaData() {
for (const auto &metaDataType : m_metaData) {
if (metaDataType.compare("spectrumnumber") == 0)
diff --git a/Framework/DataHandling/src/SaveFocusedXYE.cpp b/Framework/DataHandling/src/SaveFocusedXYE.cpp
index 5ef1b9534188e05f5da2f6e181d174bcb3901945..c0df90832a2a5273f5cbc24299d07a78021a12ef 100644
--- a/Framework/DataHandling/src/SaveFocusedXYE.cpp
+++ b/Framework/DataHandling/src/SaveFocusedXYE.cpp
@@ -1,5 +1,6 @@
#include "MantidDataHandling/SaveFocusedXYE.h"
#include "MantidAPI/Axis.h"
+#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/FileProperty.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidGeometry/Instrument.h"
@@ -108,6 +109,8 @@ void SaveFocusedXYE::exec() {
throw std::runtime_error(msg.str());
}
+ const auto &detectorInfo = inputWS->detectorInfo();
+
Progress progress(this, 0.0, 1.0, nHist);
for (size_t i = 0; i < nHist; i++) {
const auto &X = inputWS->x(i);
@@ -120,11 +123,11 @@ void SaveFocusedXYE::exec() {
if (headers) {
// try to get detector information
try {
- getFocusedPos(inputWS, i, l1, l2, tth);
- } catch (Kernel::Exception::NotFoundError &) {
- // if detector not found or there was an error skip this spectrum
- g_log.warning() << "Skipped spectrum " << i << '\n';
- continue;
+ l1 = detectorInfo.l1();
+ l2 = detectorInfo.l2(i);
+ tth = detectorInfo.twoTheta(i) * 180. / M_PI;
+ } catch (std::runtime_error &ex) {
+ g_log.warning() << ex.what() << '\n';
}
}
@@ -292,32 +295,3 @@ void SaveFocusedXYE::writeMAUDSpectraHeader(std::ostream &os, size_t index1,
os << "#P0 0 0 " << tth << ' ' << flightPath << '\n';
os << "#L " << caption << " Data Error\n";
}
-
-/**
-* Determine the focused position for the supplied spectrum. The position
-* (l1, l2, tth) is returned via the references passed in.
-*/
-void SaveFocusedXYE::getFocusedPos(Mantid::API::MatrixWorkspace_const_sptr wksp,
- const size_t spectrum, double &l1,
- double &l2, double &tth) {
- Geometry::Instrument_const_sptr instrument = wksp->getInstrument();
- if (instrument == nullptr) {
- l1 = 0.;
- l2 = 0.;
- tth = 0.;
- return;
- }
- Geometry::IComponent_const_sptr source = instrument->getSource();
- Geometry::IComponent_const_sptr sample = instrument->getSample();
- if (source == nullptr || sample == nullptr) {
- l1 = 0.;
- l2 = 0.;
- tth = 0.;
- return;
- }
- l1 = source->getDistance(*sample);
- Geometry::IDetector_const_sptr det = wksp->getDetector(spectrum);
- l2 = det->getDistance(*sample);
- constexpr double rad2deg = 180. / M_PI;
- tth = wksp->detectorTwoTheta(*det) * rad2deg;
-}
diff --git a/Framework/DataHandling/src/SaveGSS.cpp b/Framework/DataHandling/src/SaveGSS.cpp
index 08ba66b8c54920a80a1a854a3851f2e964d50659..09f05101fcc0dcbff2af394e19b002cf699a053a 100644
--- a/Framework/DataHandling/src/SaveGSS.cpp
+++ b/Framework/DataHandling/src/SaveGSS.cpp
@@ -92,41 +92,6 @@ void SaveGSS::init() {
"otherwise, the continous bank IDs are applied. ");
}
-/** Determine the focused position for the supplied spectrum. The position
- * (l1, l2, tth) is returned via the references passed in.
- */
-void getFocusedPos(MatrixWorkspace_const_sptr wksp, const int spectrum,
- double &l1, double &l2, double &tth, double &difc) {
- Geometry::Instrument_const_sptr instrument = wksp->getInstrument();
- if (instrument == nullptr) {
- l1 = 0.;
- l2 = 0.;
- tth = 0.;
- return;
- }
- Geometry::IComponent_const_sptr source = instrument->getSource();
- Geometry::IComponent_const_sptr sample = instrument->getSample();
- if (source == nullptr || sample == nullptr) {
- l1 = 0.;
- l2 = 0.;
- tth = 0.;
- return;
- }
- l1 = source->getDistance(*sample);
- Geometry::IDetector_const_sptr det = wksp->getDetector(spectrum);
- if (!det) {
- std::stringstream errss;
- errss << "Workspace " << wksp->getName()
- << " does not have detector with spectrum " << spectrum;
- throw std::runtime_error(errss.str());
- }
- l2 = det->getDistance(*sample);
- tth = wksp->detectorTwoTheta(*det);
-
- difc = ((2.0 * PhysicalConstants::NeutronMass * sin(tth * 0.5) * (l1 + l2)) /
- (PhysicalConstants::h * 1.e4));
-}
-
/** Execute the algorithm
*/
void SaveGSS::exec() {
@@ -228,10 +193,17 @@ void SaveGSS::writeGSASFile(const std::string &outfilename, bool append,
// Obtain detector information
double l1, l2, tth, difc;
- if (has_instrument)
- getFocusedPos(inputWS, histoIndex, l1, l2, tth, difc);
- else
+ if (has_instrument) {
+ l1 = spectrumInfo.l1();
+ l2 = spectrumInfo.l2(histoIndex);
+ tth = spectrumInfo.twoTheta(histoIndex);
+ difc =
+ ((2.0 * PhysicalConstants::NeutronMass * sin(tth * 0.5) * (l1 + l2)) /
+ (PhysicalConstants::h * 1.e4));
+
+ } else {
l1 = l2 = tth = difc = 0;
+ }
g_log.debug() << "Spectrum " << histoIndex << ": L1 = " << l1
<< " L2 = " << l2 << " 2theta = " << tth << "\n";
diff --git a/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp b/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
index b9743b8237de0aa223e895be801d4be86db9059c..ce5b6a2eb618665ac5a7f09a0263f4380ada04eb 100644
--- a/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
+++ b/Framework/DataHandling/src/SaveToSNSHistogramNexus.cpp
@@ -655,6 +655,10 @@ int SaveToSNSHistogramNexus::WriteAttributes(int is_definition) {
NXname attrName;
void *attrBuffer;
+ std::array<const char *, 6> attrs = {{"NeXus_version", "XML_version",
+ "HDF_version", "HDF5_Version",
+ "file_name", "file_time"}};
+
do {
#ifdef NEXUS43
status = NXgetnextattr(inId, attrName, &attrLen, &attrType);
@@ -669,10 +673,10 @@ int SaveToSNSHistogramNexus::WriteAttributes(int is_definition) {
return NX_ERROR;
attrLen = dims[0];
#endif
- if (strcmp(attrName, "NeXus_version") &&
- strcmp(attrName, "XML_version") && strcmp(attrName, "HDF_version") &&
- strcmp(attrName, "HDF5_Version") && strcmp(attrName, "file_name") &&
- strcmp(attrName, "file_time")) {
+ if (std::none_of(attrs.cbegin(), attrs.cend(),
+ [&attrName](const char *name) {
+ return strcmp(attrName, name) == 0;
+ })) {
attrLen++; /* Add space for string termination */
if (NXmalloc(&attrBuffer, 1, &attrLen, attrType) != NX_OK)
return NX_ERROR;
diff --git a/Framework/DataHandling/test/DownloadInstrumentTest.h b/Framework/DataHandling/test/DownloadInstrumentTest.h
index 45a8dec95f9d09cc7ae2d1cb8b1faeedd475a1ad..6eb84be64c8d58ca22915b0edba4194b91e7d3a8 100644
--- a/Framework/DataHandling/test/DownloadInstrumentTest.h
+++ b/Framework/DataHandling/test/DownloadInstrumentTest.h
@@ -100,38 +100,75 @@ public:
}
static void destroySuite(DownloadInstrumentTest *suite) { delete suite; }
+ void createDirectory(Poco::Path path) {
+ Poco::File file(path);
+ if (file.createDirectory()) {
+ m_directoriesToRemove.push_back(file);
+ }
+ }
+
+ void removeDirectories() {
+ for (auto directory : m_directoriesToRemove) {
+ try {
+ directory.remove(true);
+ } catch (Poco::FileException &fe) {
+ std::cout << fe.what() << std::endl;
+ }
+ }
+ m_directoriesToRemove.clear();
+ }
+
+ void setUp() override {
+ const std::string TEST_SUFFIX = "TEMPORARY_unitTest";
+ m_originalInstDir =
+ Mantid::Kernel::ConfigService::Instance().getInstrumentDirectories();
+
+ // change the local download directory by adding a unittest subdirectory
+ auto testDirectories = m_originalInstDir;
+ Poco::Path localDownloadPath(m_originalInstDir[0]);
+ localDownloadPath.pushDirectory(TEST_SUFFIX);
+ m_localInstDir = localDownloadPath.toString();
+ createDirectory(localDownloadPath);
+ testDirectories[0] = m_localInstDir;
+
+ // also if you move the instrument directory to one with less files then it
+ // will run faster as it does not need to checksum as many files
+ try {
+ Poco::Path installInstrumentPath(testDirectories.back());
+ installInstrumentPath.pushDirectory(TEST_SUFFIX);
+ createDirectory(installInstrumentPath);
+ testDirectories.back() = installInstrumentPath.toString();
+ } catch (Poco::FileException &) {
+ std::cout << "Failed to change instrument directory continuing without, "
+ "fine, just slower\n";
+ }
+
+ Mantid::Kernel::ConfigService::Instance().setInstrumentDirectories(
+ testDirectories);
+ }
+
+ void tearDown() override {
+ Mantid::Kernel::ConfigService::Instance().setInstrumentDirectories(
+ m_originalInstDir);
+ removeDirectories();
+ }
+
void test_Init() {
MockedDownloadInstrument alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize())
TS_ASSERT(alg.isInitialized())
}
+ // These tests create some files, but they entire directories are created and
+ // removed in setup and teardown
void test_exec() {
- std::string localInstDir =
- Mantid::Kernel::ConfigService::Instance().getInstrumentDirectories()[0];
- cleanupDiretory(localInstDir);
-
TSM_ASSERT_EQUALS("The expected number of files downloaded was wrong.",
runDownloadInstrument(), 2);
-
- cleanupDiretory(localInstDir);
- }
-
- void test_execTwoTimesInARow() {
- std::string localInstDir =
- Mantid::Kernel::ConfigService::Instance().getInstrumentDirectories()[0];
- cleanupDiretory(localInstDir);
-
- cleanupDiretory(localInstDir);
}
void test_execOrphanedFile() {
- std::string localInstDir =
- Mantid::Kernel::ConfigService::Instance().getInstrumentDirectories()[0];
- cleanupDiretory(localInstDir);
-
// add an orphaned file
- Poco::Path orphanedFilePath(localInstDir);
+ Poco::Path orphanedFilePath(m_localInstDir);
orphanedFilePath.makeDirectory();
orphanedFilePath.setFileName("Orphaned_Should_not_be_here.xml");
@@ -145,8 +182,6 @@ public:
Poco::File orphanedFile(orphanedFilePath);
TSM_ASSERT("The orphaned file was not deleted",
orphanedFile.exists() == false);
-
- deleteFile(orphanedFilePath.toString());
}
int runDownloadInstrument() {
@@ -162,23 +197,9 @@ public:
return alg.getProperty("FileDownloadCount");
}
- void cleanupDiretory(std::string dir) {
- Poco::Path path(dir);
- path.makeDirectory();
- deleteFile(path.setFileName("github.json").toString());
- deleteFile(path.setFileName("NewFile.xml").toString());
- deleteFile(path.setFileName("UpdatableFile.xml").toString());
- }
-
- bool deleteFile(std::string filePath) {
- Poco::File file(filePath);
- if (file.exists()) {
- file.remove();
- return true;
- } else {
- return false;
- }
- }
+ std::string m_localInstDir;
+ std::vector<std::string> m_originalInstDir;
+ std::vector<Poco::File> m_directoriesToRemove;
};
#endif /* MANTID_DATAHANDLING_DOWNLOADINSTRUMENTTEST_H_ */
diff --git a/Framework/DataHandling/test/GroupDetectors2Test.h b/Framework/DataHandling/test/GroupDetectors2Test.h
index 434772d6e0811380e43a28dc6ac270b7121bc1a0..e9960a1d0ad983170ed53df3c607a537d188caa7 100644
--- a/Framework/DataHandling/test/GroupDetectors2Test.h
+++ b/Framework/DataHandling/test/GroupDetectors2Test.h
@@ -1,17 +1,18 @@
#ifndef GROUPDETECTORS2TEST_H_
#define GROUPDETECTORS2TEST_H_
-#include <cxxtest/TestSuite.h>
#include "MantidDataHandling/GroupDetectors2.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+#include <cxxtest/TestSuite.h>
-#include "MantidHistogramData/LinearGenerator.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/FrameworkManager.h"
-#include "MantidGeometry/Instrument/DetectorGroup.h"
-#include "MantidKernel/UnitFactory.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidDataHandling/LoadMuonNexus1.h"
#include "MantidDataHandling/MaskDetectors.h"
+#include "MantidGeometry/Instrument/DetectorGroup.h"
+#include "MantidHistogramData/LinearGenerator.h"
+#include "MantidKernel/UnitFactory.h"
#include "MantidTestHelpers/HistogramDataTestHelper.h"
#include <Poco/Path.h>
@@ -132,11 +133,10 @@ public:
TS_ASSERT_DELTA(outputWS->e(0)[i], std::sqrt(double(2)), 0.0001);
}
- boost::shared_ptr<const IDetector> det;
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(0));
- TS_ASSERT(boost::dynamic_pointer_cast<const DetectorGroup>(det));
- TS_ASSERT_THROWS_ANYTHING(det = outputWS->getDetector(1));
-
+ const auto &spectrumInfo = outputWS->spectrumInfo();
+ TS_ASSERT(spectrumInfo.hasDetectors(0));
+ TS_ASSERT(!spectrumInfo.hasUniqueDetector(0));
+ TS_ASSERT_THROWS_ANYTHING(spectrumInfo.detector(1));
AnalysisDataService::Instance().remove(output);
}
void testIndexList() {
@@ -167,11 +167,9 @@ public:
TS_ASSERT_DELTA(outputWS->e(0)[i], std::sqrt(4.0), 0.0001);
}
- boost::shared_ptr<const IDetector> det;
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(0));
- TS_ASSERT(boost::dynamic_pointer_cast<const DetectorGroup>(det));
- TS_ASSERT_THROWS_ANYTHING(det = outputWS->getDetector(1));
-
+ const auto &spectrumInfo = outputWS->spectrumInfo();
+ TS_ASSERT(spectrumInfo.hasDetectors(0));
+ TS_ASSERT_THROWS_ANYTHING(spectrumInfo.detector(1));
AnalysisDataService::Instance().remove(output);
}
@@ -202,10 +200,9 @@ public:
TS_ASSERT_DELTA(outputWS->e(0)[i], std::sqrt(double(NHIST)), 0.0001);
}
- boost::shared_ptr<const IDetector> det;
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(0));
- TS_ASSERT(boost::dynamic_pointer_cast<const DetectorGroup>(det));
- TS_ASSERT_THROWS_ANYTHING(det = outputWS->getDetector(1));
+ const auto &spectrumInfo = outputWS->spectrumInfo();
+ TS_ASSERT(spectrumInfo.hasDetectors(0));
+ TS_ASSERT_THROWS_ANYTHING(spectrumInfo.detector(1));
AnalysisDataService::Instance().remove(output);
}
@@ -266,20 +263,19 @@ public:
TS_ASSERT_EQUALS(outputWS->getAxis(1)->spectraNo(4), 6);
TS_ASSERT_EQUALS(outputWS->getSpectrum(4).getSpectrumNo(), 6);
- // the first two spectra should have a group of detectors the other spectra
+ // the first spectrum should have a group of detectors the other spectra
// a single detector
-
- boost::shared_ptr<const IDetector> det;
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(0));
- TS_ASSERT(boost::dynamic_pointer_cast<const DetectorGroup>(det));
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(1));
- TS_ASSERT(boost::dynamic_pointer_cast<const Detector>(det));
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(2));
- TS_ASSERT(boost::dynamic_pointer_cast<const Detector>(det));
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(3));
- TS_ASSERT(boost::dynamic_pointer_cast<const Detector>(det));
- TS_ASSERT_THROWS_NOTHING(det = outputWS->getDetector(4));
- TS_ASSERT(boost::dynamic_pointer_cast<const Detector>(det));
+ const auto &spectrumInfo = outputWS->spectrumInfo();
+ TS_ASSERT(spectrumInfo.hasDetectors(0));
+ TS_ASSERT(!spectrumInfo.hasUniqueDetector(0));
+ TS_ASSERT(spectrumInfo.hasDetectors(1));
+ TS_ASSERT(spectrumInfo.hasUniqueDetector(1));
+ TS_ASSERT(spectrumInfo.hasDetectors(2));
+ TS_ASSERT(spectrumInfo.hasUniqueDetector(2));
+ TS_ASSERT(spectrumInfo.hasDetectors(3));
+ TS_ASSERT(spectrumInfo.hasUniqueDetector(3));
+ TS_ASSERT(spectrumInfo.hasDetectors(4));
+ TS_ASSERT(spectrumInfo.hasUniqueDetector(4));
AnalysisDataService::Instance().remove(output);
remove(inputFile.c_str());
@@ -681,7 +677,7 @@ public:
AnalysisDataService::Instance().remove(outputws);
}
- void test_GroupingWorkspaceUsingMatrixWrokspace() {
+ void test_GroupingWorkspaceUsingMatrixWorkspace() {
int bankWidth = 8;
int numBanks = 2;
int numSpectraInBank = bankWidth * bankWidth;
@@ -773,8 +769,11 @@ public:
// check output - should match template
TS_ASSERT_EQUALS(output->getNumberHistograms(),
outputGrp->getNumberHistograms());
- TS_ASSERT_EQUALS(output->getDetector(0)->getID(),
- outputGrp->getDetector(0)->getID());
+
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto &spectrumInfoGrp = outputGrp->spectrumInfo();
+ TS_ASSERT_EQUALS(spectrumInfo.detector(0).getID(),
+ spectrumInfoGrp.detector(0).getID());
AnalysisDataService::Instance().remove(nxsWSname);
AnalysisDataService::Instance().remove(groupWSName);
diff --git a/Framework/DataHandling/test/LoadDetectorInfoTest.h b/Framework/DataHandling/test/LoadDetectorInfoTest.h
index 73331467c2a2aea02c6d9841059a32b4abcc20b8..21fc3e6f21d0dd888c61ca26a917ed67cc7b00ba 100644
--- a/Framework/DataHandling/test/LoadDetectorInfoTest.h
+++ b/Framework/DataHandling/test/LoadDetectorInfoTest.h
@@ -7,24 +7,17 @@
#include "MantidAPI/Axis.h"
#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidAPI/WorkspaceProperty.h"
#include "MantidDataHandling/LoadDetectorInfo.h"
#include "MantidDataHandling/LoadRaw3.h"
#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/Detector.h"
-#include "MantidGeometry/Instrument/DetectorGroup.h"
#include "MantidGeometry/Instrument/ObjComponent.h"
#include "MantidHistogramData/LinearGenerator.h"
#include "MantidKernel/UnitFactory.h"
#include <Poco/File.h>
-#include <Poco/Path.h>
#include <boost/lexical_cast.hpp>
-#include <nexus/NeXusFile.hpp>
-
-#include <algorithm>
-#include <fstream>
#include <vector>
using namespace Mantid::DataHandling;
diff --git a/Framework/DataHandling/test/LoadEmptyInstrumentTest.h b/Framework/DataHandling/test/LoadEmptyInstrumentTest.h
index 9eae046f51cb89b299db96d60f5aab50830333ab..e2cfe444ce7a04309069bfdcde1fc819228ca933 100644
--- a/Framework/DataHandling/test/LoadEmptyInstrumentTest.h
+++ b/Framework/DataHandling/test/LoadEmptyInstrumentTest.h
@@ -3,20 +3,17 @@
#include <cxxtest/TestSuite.h>
+#include "MantidAPI/AnalysisDataService.h"
+#include "MantidAPI/DetectorInfo.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidDataHandling/LoadEmptyInstrument.h"
-#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidDataObjects/EventWorkspace.h"
#include "MantidGeometry/Instrument.h"
-#include "MantidDataObjects/Workspace2D.h"
-#include "MantidAPI/AnalysisDataService.h"
-#include "MantidKernel/Exception.h"
-#include "MantidAPI/FrameworkManager.h"
-#include "MantidAPI/Workspace.h"
-#include "MantidAPI/Algorithm.h"
#include "MantidGeometry/Instrument/Component.h"
#include "MantidGeometry/Instrument/FitParameter.h"
-#include <vector>
-#include "MantidDataObjects/EventWorkspace.h"
+#include "MantidKernel/Exception.h"
#include "MantidTestHelpers/ScopedFileHelper.h"
+#include <vector>
using namespace Mantid::API;
using namespace Mantid::Kernel;
@@ -164,33 +161,34 @@ public:
TS_ASSERT_DELTA(ret1[0].Z(), 0.0, 0.0001);
// get detector corresponding to workspace index 0
- IDetector_const_sptr det = ws->getDetector(0);
+ const auto &spectrumInfo = ws->spectrumInfo();
+ const auto &det = spectrumInfo.detector(0);
- TS_ASSERT_EQUALS(det->getID(), 1001);
- TS_ASSERT_EQUALS(det->getName(), "upstream_monitor_det");
- TS_ASSERT_DELTA(det->getPos().X(), 10.0, 0.0001);
- TS_ASSERT_DELTA(det->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(det->getPos().Z(), 0.0, 0.0001);
+ TS_ASSERT_EQUALS(det.getID(), 1001);
+ TS_ASSERT_EQUALS(det.getName(), "upstream_monitor_det");
+ TS_ASSERT_DELTA(spectrumInfo.position(0).X(), 10.0, 0.0001);
+ TS_ASSERT_DELTA(spectrumInfo.position(0).Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(spectrumInfo.position(0).Z(), 0.0, 0.0001);
- Parameter_sptr param = paramMap.get(&(*det), "boevs2");
+ Parameter_sptr param = paramMap.get(&det, "boevs2");
TS_ASSERT_DELTA(param->value<double>(), 16.0, 0.0001);
- param = paramMap.get(&(*det), "boevs3");
+ param = paramMap.get(&det, "boevs3");
TS_ASSERT_DELTA(param->value<double>(), 32.0, 0.0001);
- param = paramMap.get(&(*det), "boevs");
+ param = paramMap.get(&det, "boevs");
TS_ASSERT(param == NULL);
- param = paramMap.getRecursive(&(*det), "boevs", "double");
+ param = paramMap.getRecursive(&det, "boevs", "double");
TS_ASSERT_DELTA(param->value<double>(), 8.0, 0.0001);
- param = paramMap.getRecursive(&(*det), "fiddo", "fitting");
+ param = paramMap.getRecursive(&det, "fiddo", "fitting");
const FitParameter &fitParam = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam.getValue(), 84.0, 0.0001);
TS_ASSERT(fitParam.getTie().compare("") == 0);
TS_ASSERT(fitParam.getFunction().compare("somefunction") == 0);
- param = paramMap.getRecursive(&(*det), "toplevel", "fitting");
+ param = paramMap.getRecursive(&det, "toplevel", "fitting");
const FitParameter &fitParam1 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam1.getValue(), 100.0, 0.0001);
TS_ASSERT(fitParam1.getTie().compare("") == 0);
@@ -198,7 +196,7 @@ public:
TS_ASSERT(fitParam1.getConstraint().compare("80 < toplevel < 120") == 0);
TS_ASSERT(!fitParam1.getLookUpTable().containData());
- param = paramMap.getRecursive(&(*det), "toplevel2", "fitting");
+ param = paramMap.getRecursive(&det, "toplevel2", "fitting");
const FitParameter &fitParam2 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam2.getValue(0), -48.5, 0.0001);
TS_ASSERT_DELTA(fitParam2.getValue(5), 1120.0, 0.0001);
@@ -212,7 +210,7 @@ public:
TS_ASSERT(fitParam2.getLookUpTable().getYUnit()->unitID().compare(
"dSpacing") == 0);
- param = paramMap.getRecursive(&(*det), "formula", "fitting");
+ param = paramMap.getRecursive(&det, "formula", "fitting");
const FitParameter &fitParam3 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam3.getValue(0), 100.0, 0.0001);
TS_ASSERT_DELTA(fitParam3.getValue(5), 175.0, 0.0001);
@@ -224,7 +222,7 @@ public:
TS_ASSERT(fitParam3.getFormulaUnit().compare("TOF") == 0);
TS_ASSERT(fitParam3.getResultUnit().compare("dSpacing") == 0);
- param = paramMap.getRecursive(&(*det), "percentage", "fitting");
+ param = paramMap.getRecursive(&det, "percentage", "fitting");
const FitParameter &fitParam4 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam4.getValue(), 250.0, 0.0001);
TS_ASSERT(fitParam4.getTie().compare("") == 0);
@@ -250,16 +248,18 @@ public:
dummy = paramMap.getDouble("nickel-holder", "fjols");
TS_ASSERT_DELTA(dummy[0], 200.0, 0.0001);
- boost::shared_ptr<const Instrument> i = ws->getInstrument();
- boost::shared_ptr<const IDetector> ptrDet = i->getDetector(1008);
- TS_ASSERT_EQUALS(ptrDet->getID(), 1008);
- TS_ASSERT_EQUALS(ptrDet->getName(), "combined translation6");
- param = paramMap.get(&(*ptrDet), "fjols");
+ const auto &detectorInfo = ws->detectorInfo();
+
+ const auto &ptrDet = detectorInfo.detector(detectorInfo.indexOf(1008));
+ TS_ASSERT_EQUALS(ptrDet.getID(), 1008);
+ TS_ASSERT_EQUALS(ptrDet.getName(), "combined translation6");
+ param = paramMap.get(&ptrDet, "fjols");
TS_ASSERT_DELTA(param->value<double>(), 20.0, 0.0001);
- param = paramMap.get(&(*ptrDet), "nedtur");
+ param = paramMap.get(&ptrDet, "nedtur");
TS_ASSERT_DELTA(param->value<double>(), 77.0, 0.0001);
// test that can hold of "string" parameter in two ways
+ boost::shared_ptr<const Instrument> i = ws->getInstrument();
boost::shared_ptr<const IComponent> ptrNickelHolder =
i->getComponentByName("nickel-holder");
std::string dummyString =
@@ -270,128 +270,128 @@ public:
TS_ASSERT(dummyStringVec[0].compare("boevs") == 0);
// check if combined translation works
- ptrDet = i->getDetector(1003);
- TS_ASSERT_EQUALS(ptrDet->getName(), "combined translation");
- TS_ASSERT_EQUALS(ptrDet->getID(), 1003);
- TS_ASSERT_DELTA(ptrDet->getPos().X(), 12.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet->getPos().Z(), 0.0, 0.0001);
-
- boost::shared_ptr<const IDetector> ptrDet1 = i->getDetector(1004);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation2");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1004);
- TS_ASSERT_DELTA(ptrDet1->getRelativePos().X(), 10.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), -8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 3.0, 0.0001);
-
- ptrDet1 = i->getDetector(1005);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation3");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1005);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 12.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1006);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation4");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1006);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 20.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), -8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1007);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation5");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1007);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 12.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1008);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation6");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1008);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 12.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1009);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation7");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1009);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1010);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation8");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 8.0, 0.0001);
-
- ptrDet1 = i->getDetector(1011);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation9");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), -8.0, 0.0001);
-
- ptrDet1 = i->getDetector(1012);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation10");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1013);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation11");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), -8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
+ const auto &ptrDet1003 = detectorInfo.detector(detectorInfo.indexOf(1003));
+ TS_ASSERT_EQUALS(ptrDet1003.getName(), "combined translation");
+ TS_ASSERT_EQUALS(ptrDet1003.getID(), 1003);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().X(), 12.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1004 = detectorInfo.detector(detectorInfo.indexOf(1004));
+ TS_ASSERT_EQUALS(ptrDet1004.getName(), "combined translation2");
+ TS_ASSERT_EQUALS(ptrDet1004.getID(), 1004);
+ TS_ASSERT_DELTA(ptrDet1004.getRelativePos().X(), 10.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1004.getPos().Y(), -8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1004.getPos().Z(), 3.0, 0.0001);
+
+ const auto &ptrDet1005 = detectorInfo.detector(detectorInfo.indexOf(1005));
+ TS_ASSERT_EQUALS(ptrDet1005.getName(), "combined translation3");
+ TS_ASSERT_EQUALS(ptrDet1005.getID(), 1005);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().X(), 12.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1006 = detectorInfo.detector(detectorInfo.indexOf(1006));
+ TS_ASSERT_EQUALS(ptrDet1006.getName(), "combined translation4");
+ TS_ASSERT_EQUALS(ptrDet1006.getID(), 1006);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().X(), 20.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().Y(), -8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1007 = detectorInfo.detector(detectorInfo.indexOf(1007));
+ TS_ASSERT_EQUALS(ptrDet1007.getName(), "combined translation5");
+ TS_ASSERT_EQUALS(ptrDet1007.getID(), 1007);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().X(), 12.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1008 = detectorInfo.detector(detectorInfo.indexOf(1008));
+ TS_ASSERT_EQUALS(ptrDet1008.getName(), "combined translation6");
+ TS_ASSERT_EQUALS(ptrDet1008.getID(), 1008);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().X(), 12.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1009 = detectorInfo.detector(detectorInfo.indexOf(1009));
+ TS_ASSERT_EQUALS(ptrDet1009.getName(), "combined translation7");
+ TS_ASSERT_EQUALS(ptrDet1009.getID(), 1009);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().Y(), 8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1010 = detectorInfo.detector(detectorInfo.indexOf(1010));
+ TS_ASSERT_EQUALS(ptrDet1010.getName(), "combined translation8");
+ TS_ASSERT_DELTA(ptrDet1010.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1010.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1010.getPos().Z(), 8.0, 0.0001);
+
+ const auto &ptrDet1011 = detectorInfo.detector(detectorInfo.indexOf(1011));
+ TS_ASSERT_EQUALS(ptrDet1011.getName(), "combined translation9");
+ TS_ASSERT_DELTA(ptrDet1011.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1011.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1011.getPos().Z(), -8.0, 0.0001);
+
+ const auto &ptrDet1012 = detectorInfo.detector(detectorInfo.indexOf(1012));
+ TS_ASSERT_EQUALS(ptrDet1012.getName(), "combined translation10");
+ TS_ASSERT_DELTA(ptrDet1012.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1012.getPos().Y(), 8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1012.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1013 = detectorInfo.detector(detectorInfo.indexOf(1013));
+ TS_ASSERT_EQUALS(ptrDet1013.getName(), "combined translation11");
+ TS_ASSERT_DELTA(ptrDet1013.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1013.getPos().Y(), -8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1013.getPos().Z(), 0.0, 0.0001);
// test parameter rotation
- ptrDet1 = i->getDetector(1200);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1200);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10.5, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), -0.866, 0.0001);
-
- ptrDet1 = i->getDetector(1201);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1201);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10.5, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), -0.866, 0.0001);
-
- ptrDet1 = i->getDetector(1202);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1202);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 1.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0, 0.0001);
-
- ptrDet1 = i->getDetector(1203);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1203);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 1.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0, 0.0001);
-
- ptrDet1 = i->getDetector(1204);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1204);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 1.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0, 0.0001);
-
- ptrDet1 = i->getDetector(1205);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1205);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 1.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0, 0.0001);
-
- ptrDet1 = i->getDetector(1206);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "param rot-test");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1206);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 10, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 1, 0.0001);
+ const auto &ptrDet1200 = detectorInfo.detector(detectorInfo.indexOf(1200));
+ TS_ASSERT_EQUALS(ptrDet1200.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1200.getID(), 1200);
+ TS_ASSERT_DELTA(ptrDet1200.getPos().X(), 10.5, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1200.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1200.getPos().Z(), -0.866, 0.0001);
+
+ const auto &ptrDet1201 = detectorInfo.detector(detectorInfo.indexOf(1201));
+ TS_ASSERT_EQUALS(ptrDet1201.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1201.getID(), 1201);
+ TS_ASSERT_DELTA(ptrDet1201.getPos().X(), 10.5, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1201.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1201.getPos().Z(), -0.866, 0.0001);
+
+ const auto &ptrDet1202 = detectorInfo.detector(detectorInfo.indexOf(1202));
+ TS_ASSERT_EQUALS(ptrDet1202.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1202.getID(), 1202);
+ TS_ASSERT_DELTA(ptrDet1202.getPos().X(), 10, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1202.getPos().Y(), 1.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1202.getPos().Z(), 0, 0.0001);
+
+ const auto &ptrDet1203 = detectorInfo.detector(detectorInfo.indexOf(1203));
+ TS_ASSERT_EQUALS(ptrDet1203.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1203.getID(), 1203);
+ TS_ASSERT_DELTA(ptrDet1203.getPos().X(), 10, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1203.getPos().Y(), 1.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1203.getPos().Z(), 0, 0.0001);
+
+ const auto &ptrDet1204 = detectorInfo.detector(detectorInfo.indexOf(1204));
+ TS_ASSERT_EQUALS(ptrDet1204.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1204.getID(), 1204);
+ TS_ASSERT_DELTA(ptrDet1204.getPos().X(), 10, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1204.getPos().Y(), 1.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1204.getPos().Z(), 0, 0.0001);
+
+ const auto &ptrDet1205 = detectorInfo.detector(detectorInfo.indexOf(1205));
+ TS_ASSERT_EQUALS(ptrDet1205.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1205.getID(), 1205);
+ TS_ASSERT_DELTA(ptrDet1205.getPos().X(), 10, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1205.getPos().Y(), 1.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1205.getPos().Z(), 0, 0.0001);
+
+ const auto &ptrDet1206 = detectorInfo.detector(detectorInfo.indexOf(1206));
+ TS_ASSERT_EQUALS(ptrDet1206.getName(), "param rot-test");
+ TS_ASSERT_EQUALS(ptrDet1206.getID(), 1206);
+ TS_ASSERT_DELTA(ptrDet1206.getPos().X(), 10, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1206.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1206.getPos().Z(), 1, 0.0001);
// testing r-position, t-position and p-position parameters
boost::shared_ptr<const IComponent> ptrRTP_Test =
@@ -439,98 +439,99 @@ public:
boost::shared_ptr<const Instrument> i = ws->getInstrument();
+ const auto &detectorInfo = ws->detectorInfo();
+
// check if combined translation works
- boost::shared_ptr<const IDetector> ptrDet1 = i->getDetector(1001);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translationA");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 10.0, 0.0001);
-
- ptrDet1 = i->getDetector(1002);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translationB");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 20.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1003);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1003);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 20.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1004);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation2");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1004);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 25.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1005);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation3");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1005);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 28.0, 0.0001);
-
- ptrDet1 = i->getDetector(1006);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation4");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1006);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 28.0, 0.0001);
-
- ptrDet1 = i->getDetector(1007);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation5");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1007);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 28.0, 0.0001);
-
- ptrDet1 = i->getDetector(1008);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation6");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1008);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 28.0, 0.0001);
-
- ptrDet1 = i->getDetector(1009);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation7");
- TS_ASSERT_EQUALS(ptrDet1->getID(), 1009);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 19.0, 0.0001);
-
- ptrDet1 = i->getDetector(1010);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation8");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 8.0, 0.0001);
-
- ptrDet1 = i->getDetector(1011);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation9");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 0.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), -8.0, 0.0001);
-
- ptrDet1 = i->getDetector(1012);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation10");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), 8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
-
- ptrDet1 = i->getDetector(1013);
- TS_ASSERT_EQUALS(ptrDet1->getName(), "combined translation11");
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), 11.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), -8.0, 0.0001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 0.0, 0.0001);
+ const auto &ptrDet1001 = detectorInfo.detector(detectorInfo.indexOf(1001));
+ TS_ASSERT_EQUALS(ptrDet1001.getName(), "combined translationA");
+ TS_ASSERT_DELTA(ptrDet1001.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1001.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1001.getPos().Z(), 10.0, 0.0001);
+
+ const auto &ptrDet1002 = detectorInfo.detector(detectorInfo.indexOf(1002));
+ TS_ASSERT_EQUALS(ptrDet1002.getName(), "combined translationB");
+ TS_ASSERT_DELTA(ptrDet1002.getPos().X(), 20.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1002.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1002.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1003 = detectorInfo.detector(detectorInfo.indexOf(1003));
+ TS_ASSERT_EQUALS(ptrDet1003.getName(), "combined translation");
+ TS_ASSERT_EQUALS(ptrDet1003.getID(), 1003);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().X(), 20.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1003.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1004 = detectorInfo.detector(detectorInfo.indexOf(1004));
+ TS_ASSERT_EQUALS(ptrDet1004.getName(), "combined translation2");
+ TS_ASSERT_EQUALS(ptrDet1004.getID(), 1004);
+ TS_ASSERT_DELTA(ptrDet1004.getPos().X(), 25.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1004.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1004.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1005 = detectorInfo.detector(detectorInfo.indexOf(1005));
+ TS_ASSERT_EQUALS(ptrDet1005.getName(), "combined translation3");
+ TS_ASSERT_EQUALS(ptrDet1005.getID(), 1005);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1005.getPos().Z(), 28.0, 0.0001);
+
+ const auto &ptrDet1006 = detectorInfo.detector(detectorInfo.indexOf(1006));
+ TS_ASSERT_EQUALS(ptrDet1006.getName(), "combined translation4");
+ TS_ASSERT_EQUALS(ptrDet1006.getID(), 1006);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1006.getPos().Z(), 28.0, 0.0001);
+
+ const auto &ptrDet1007 = detectorInfo.detector(detectorInfo.indexOf(1007));
+ TS_ASSERT_EQUALS(ptrDet1007.getName(), "combined translation5");
+ TS_ASSERT_EQUALS(ptrDet1007.getID(), 1007);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1007.getPos().Z(), 28.0, 0.0001);
+
+ const auto &ptrDet1008 = detectorInfo.detector(detectorInfo.indexOf(1008));
+ TS_ASSERT_EQUALS(ptrDet1008.getName(), "combined translation6");
+ TS_ASSERT_EQUALS(ptrDet1008.getID(), 1008);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1008.getPos().Z(), 28.0, 0.0001);
+
+ const auto &ptrDet1009 = detectorInfo.detector(detectorInfo.indexOf(1009));
+ TS_ASSERT_EQUALS(ptrDet1009.getName(), "combined translation7");
+ TS_ASSERT_EQUALS(ptrDet1009.getID(), 1009);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().X(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1009.getPos().Z(), 19.0, 0.0001);
+
+ const auto &ptrDet1010 = detectorInfo.detector(detectorInfo.indexOf(1010));
+ TS_ASSERT_EQUALS(ptrDet1010.getName(), "combined translation8");
+ TS_ASSERT_DELTA(ptrDet1010.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1010.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1010.getPos().Z(), 8.0, 0.0001);
+
+ const auto &ptrDet1011 = detectorInfo.detector(detectorInfo.indexOf(1011));
+ TS_ASSERT_EQUALS(ptrDet1011.getName(), "combined translation9");
+ TS_ASSERT_DELTA(ptrDet1011.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1011.getPos().Y(), 0.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1011.getPos().Z(), -8.0, 0.0001);
+
+ const auto &ptrDet1012 = detectorInfo.detector(detectorInfo.indexOf(1012));
+ TS_ASSERT_EQUALS(ptrDet1012.getName(), "combined translation10");
+ TS_ASSERT_DELTA(ptrDet1012.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1012.getPos().Y(), 8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1012.getPos().Z(), 0.0, 0.0001);
+
+ const auto &ptrDet1013 = detectorInfo.detector(detectorInfo.indexOf(1013));
+ TS_ASSERT_EQUALS(ptrDet1013.getName(), "combined translation11");
+ TS_ASSERT_DELTA(ptrDet1013.getPos().X(), 11.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1013.getPos().Y(), -8.0, 0.0001);
+ TS_ASSERT_DELTA(ptrDet1013.getPos().Z(), 0.0, 0.0001);
AnalysisDataService::Instance().remove(wsName);
}
- // also test that when loading in instrument a 2nd time that parameters
- // defined
- // in instrument gets loaded as well
+ // also test that when loading an instrument a 2nd time that parameters
+ // defined in instrument gets loaded as well
void testToscaParameterTags() {
LoadEmptyInstrument loader;
@@ -551,12 +552,13 @@ public:
const auto ¶mMap = ws->constInstrumentParameters();
// get detector corresponding to workspace index 0
- IDetector_const_sptr det = ws->getDetector(69);
+ const auto &spectrumInfo = ws->spectrumInfo();
+ const auto &det = spectrumInfo.detector(69);
- TS_ASSERT_EQUALS(det->getID(), 78);
- TS_ASSERT_EQUALS(det->getName(), "Detector #70");
+ TS_ASSERT_EQUALS(det.getID(), 78);
+ TS_ASSERT_EQUALS(det.getName(), "Detector #70");
- Parameter_sptr param = paramMap.get(&(*det), "Efixed");
+ Parameter_sptr param = paramMap.get(&det, "Efixed");
TS_ASSERT_DELTA(param->value<double>(), 4.00000, 0.0001);
AnalysisDataService::Instance().remove(wsName);
@@ -576,22 +578,21 @@ public:
ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsName);
- const auto ¶mMap2 = ws->constInstrumentParameters();
+ const auto &spectrumInfoAfter = ws->spectrumInfo();
+ const auto &detAfter = spectrumInfoAfter.detector(69);
- det = ws->getDetector(69);
+ TS_ASSERT_EQUALS(detAfter.getID(), 78);
+ TS_ASSERT_EQUALS(detAfter.getName(), "Detector #70");
- TS_ASSERT_EQUALS(det->getID(), 78);
- TS_ASSERT_EQUALS(det->getName(), "Detector #70");
-
- param = paramMap2.get(&(*det), "Efixed");
+ const auto ¶mMap2 = ws->constInstrumentParameters();
+ param = paramMap2.get(&detAfter, "Efixed");
TS_ASSERT_DELTA(param->value<double>(), 4.00000, 0.0001);
AnalysisDataService::Instance().remove(wsName);
}
- // also test that when loading in instrument a 2nd time that parameters
- // defined
- // in instrument gets loaded as well
+ // also test that when loading an instrument a 2nd time that parameters
+ // defined in instrument gets loaded as well
void testHRPDParameterTags() {
LoadEmptyInstrument loader;
@@ -611,10 +612,10 @@ public:
// get parameter map
const auto ¶mMap = ws->constInstrumentParameters();
- boost::shared_ptr<const Instrument> i = ws->getInstrument();
- boost::shared_ptr<const IDetector> det =
- i->getDetector(1100); // should be a detector from bank_bsk
- Parameter_sptr param = paramMap.getRecursive(&(*det), "S", "fitting");
+ const auto &detectorInfo = ws->detectorInfo();
+ const auto &det = detectorInfo.detector(
+ detectorInfo.indexOf(1100)); // should be a detector from bank_bsk
+ Parameter_sptr param = paramMap.getRecursive(&det, "S", "fitting");
const FitParameter &fitParam1 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam1.getValue(1.0), 11.8159, 0.0001);
TS_ASSERT(fitParam1.getFunction().compare("BackToBackExponential") == 0);
@@ -637,9 +638,10 @@ public:
// get parameter map
const auto ¶mMap2 = ws->constInstrumentParameters();
- i = ws->getInstrument();
- det = i->getDetector(1100); // should be a detector from bank_bsk
- param = paramMap2.getRecursive(&(*det), "S", "fitting");
+ const auto &detectorInfoAfter = ws->detectorInfo();
+ const auto &detAfter = detectorInfoAfter.detector(
+ detectorInfoAfter.indexOf(1100)); // should be a detector from bank_bsk
+ param = paramMap2.getRecursive(&detAfter, "S", "fitting");
const FitParameter &fitParam2 = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam2.getValue(1.0), 11.8159, 0.0001);
TS_ASSERT(fitParam2.getFunction().compare("BackToBackExponential") == 0);
@@ -667,24 +669,23 @@ public:
// get parameter map
const auto ¶mMap = ws->constInstrumentParameters();
- IDetector_const_sptr det = ws->getDetector(101);
- TS_ASSERT_EQUALS(det->getID(), 102046);
- TS_ASSERT_EQUALS(det->getName(), "Det45");
- Parameter_sptr param = paramMap.getRecursive(&(*det), "Alpha0", "fitting");
+ const auto &spectrumInfo = ws->spectrumInfo();
+ const auto &det = spectrumInfo.detector(101);
+ TS_ASSERT_EQUALS(det.getID(), 102046);
+ TS_ASSERT_EQUALS(det.getName(), "Det45");
+ Parameter_sptr param = paramMap.getRecursive(&det, "Alpha0", "fitting");
const FitParameter &fitParam = param->value<FitParameter>();
TS_ASSERT_DELTA(fitParam.getValue(0.0), 0.734079, 0.0001);
- IDetector_const_sptr det1 = ws->getDetector(501);
- TS_ASSERT_EQUALS(det1->getID(), 211001);
- Parameter_sptr param1 =
- paramMap.getRecursive(&(*det1), "Alpha0", "fitting");
+ const auto &det1 = spectrumInfo.detector(501);
+ TS_ASSERT_EQUALS(det1.getID(), 211001);
+ Parameter_sptr param1 = paramMap.getRecursive(&det1, "Alpha0", "fitting");
const FitParameter &fitParam1 = param1->value<FitParameter>();
TS_ASSERT_DELTA(fitParam1.getValue(0.0), 0.734079, 0.0001);
- IDetector_const_sptr det2 = ws->getDetector(341);
- TS_ASSERT_EQUALS(det2->getID(), 201001);
- Parameter_sptr param2 =
- paramMap.getRecursive(&(*det2), "Alpha0", "fitting");
+ const auto &det2 = spectrumInfo.detector(341);
+ TS_ASSERT_EQUALS(det2.getID(), 201001);
+ Parameter_sptr param2 = paramMap.getRecursive(&det2, "Alpha0", "fitting");
const FitParameter &fitParam2 = param2->value<FitParameter>();
TS_ASSERT_DELTA(fitParam2.getValue(0.0), 0.734079, 0.0001);
// TS_ASSERT( fitParam2.getTie().compare("Alpha0=0.734079") == 0 );
@@ -731,51 +732,51 @@ public:
if (ws->getNumberHistograms() < 4)
return;
- IDetector_const_sptr det = ws->getDetector(1);
- TS_ASSERT_EQUALS(det->getID(), 1);
- TS_ASSERT_EQUALS(det->getName(), "pixel");
- Parameter_sptr param = paramMap.get(&(*det), "tube_pressure");
+ const auto &spectrumInfo = ws->spectrumInfo();
+ const auto &det = spectrumInfo.detector(1);
+ TS_ASSERT_EQUALS(det.getID(), 1);
+ TS_ASSERT_EQUALS(det.getName(), "pixel");
+ Parameter_sptr param = paramMap.get(&det, "tube_pressure");
TS_ASSERT_DELTA(param->value<double>(), 10.0, 0.0001);
- param = paramMap.get(&(*det), "tube_thickness");
+ param = paramMap.get(&det, "tube_thickness");
TS_ASSERT_DELTA(param->value<double>(), 0.0008, 0.0001);
- param = paramMap.get(&(*det), "tube_temperature");
+ param = paramMap.get(&det, "tube_temperature");
TS_ASSERT_DELTA(param->value<double>(), 290.0, 0.0001);
// same tests as above but using getNumberParameter()
- TS_ASSERT_DELTA((det->getNumberParameter("tube_pressure"))[0], 10.0,
- 0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_thickness"))[0], 0.0008,
+ TS_ASSERT_DELTA((det.getNumberParameter("tube_pressure"))[0], 10.0, 0.0001);
+ TS_ASSERT_DELTA((det.getNumberParameter("tube_thickness"))[0], 0.0008,
0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_temperature"))[0], 290.0,
+ TS_ASSERT_DELTA((det.getNumberParameter("tube_temperature"))[0], 290.0,
0.0001);
- det = ws->getDetector(2);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_pressure"))[0], 10.0,
+ const auto &det2 = spectrumInfo.detector(2);
+ TS_ASSERT_DELTA((det2.getNumberParameter("tube_pressure"))[0], 10.0,
0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_thickness"))[0], 0.0008,
+ TS_ASSERT_DELTA((det2.getNumberParameter("tube_thickness"))[0], 0.0008,
0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_temperature"))[0], 290.0,
+ TS_ASSERT_DELTA((det2.getNumberParameter("tube_temperature"))[0], 290.0,
0.0001);
- det = ws->getDetector(3);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_pressure"))[0], 10.0,
+ const auto &det3 = spectrumInfo.detector(3);
+ TS_ASSERT_DELTA((det3.getNumberParameter("tube_pressure"))[0], 10.0,
0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_thickness"))[0], 0.0008,
+ TS_ASSERT_DELTA((det3.getNumberParameter("tube_thickness"))[0], 0.0008,
0.0001);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_temperature"))[0], 290.0,
+ TS_ASSERT_DELTA((det3.getNumberParameter("tube_temperature"))[0], 290.0,
0.0001);
// demonstrate recursive look-up: tube_pressure2 defined in 'dummy' but
// accessed from 'pixel'
- det = ws->getDetector(1);
- TS_ASSERT_DELTA((det->getNumberParameter("tube_pressure2"))[0], 35.0,
+ const auto &det1 = spectrumInfo.detector(1);
+ TS_ASSERT_DELTA((det1.getNumberParameter("tube_pressure2"))[0], 35.0,
0.0001);
// Alternative way of doing a recursive look-up
- param = paramMap.getRecursive(&(*det), "tube_pressure2");
+ param = paramMap.getRecursive(&det1, "tube_pressure2");
TS_ASSERT_DELTA(param->value<double>(), 35.0, 0.0001);
// And finally demonstrate that the get() method does not perform recursive
// look-up
- param = paramMap.get(&(*det), "tube_pressure2");
+ param = paramMap.get(&det1, "tube_pressure2");
TS_ASSERT(param == NULL);
AnalysisDataService::Instance().remove(wsName);
@@ -797,8 +798,9 @@ public:
MatrixWorkspace_sptr ws;
ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsName);
- IDetector_const_sptr det = ws->getDetector(1);
- TS_ASSERT_EQUALS((det->getNumberParameter("number-of-x-pixels"))[0], 192);
+ const auto &spectrumInfo = ws->spectrumInfo();
+ const auto &det = spectrumInfo.detector(1);
+ TS_ASSERT_EQUALS((det.getNumberParameter("number-of-x-pixels"))[0], 192);
Instrument_const_sptr inst = ws->getInstrument();
TS_ASSERT_EQUALS((inst->getNumberParameter("number-of-x-pixels")).size(),
@@ -823,41 +825,36 @@ public:
MatrixWorkspace_sptr ws;
ws = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(wsName);
- // get parameter map
- boost::shared_ptr<const Instrument> i = ws->getInstrument();
-
double pixelLength = 0.0051;
double bankLength = 192 * pixelLength;
double startX = -bankLength / 2 + pixelLength / 2;
double startY = -bankLength / 2 + pixelLength / 2;
+ const auto &detectorInfo = ws->detectorInfo();
for (int iy = 0; iy <= 191; iy++) {
for (int ix = 0; ix <= 191; ix++) {
- boost::shared_ptr<const IDetector> ptrDet1 =
- i->getDetector(1000000 + iy * 1000 + ix);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), startX + pixelLength * ix,
- 0.0000001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), startY + pixelLength * iy,
- 0.0000001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 23.281, 0.0000001);
+ size_t index = detectorInfo.indexOf(1000000 + iy * 1000 + ix);
+ TS_ASSERT_DELTA(detectorInfo.position(index).X(),
+ startX + pixelLength * ix, 0.0000001);
+ TS_ASSERT_DELTA(detectorInfo.position(index).Y(),
+ startY + pixelLength * iy, 0.0000001);
+ TS_ASSERT_DELTA(detectorInfo.position(index).Z(), 23.281, 0.0000001);
}
for (int ix = 0; ix <= 191; ix++) {
- boost::shared_ptr<const IDetector> ptrDet1 =
- i->getDetector(2000000 + iy * 1000 + ix);
- TS_ASSERT_DELTA(ptrDet1->getPos().X(), startX + pixelLength * ix + 1.1,
- 0.0000001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Y(), startY + pixelLength * iy,
- 0.0000001);
- TS_ASSERT_DELTA(ptrDet1->getPos().Z(), 23.281, 0.0000001);
+ size_t index = detectorInfo.indexOf(2000000 + iy * 1000 + ix);
+ TS_ASSERT_DELTA(detectorInfo.position(index).X(),
+ startX + pixelLength * ix + 1.1, 0.0000001);
+ TS_ASSERT_DELTA(detectorInfo.position(index).Y(),
+ startY + pixelLength * iy, 0.0000001);
+ TS_ASSERT_DELTA(detectorInfo.position(index).Z(), 23.281, 0.0000001);
}
}
// check for solid angle also
- const V3D samplePos = i->getSample()->getPos();
- boost::shared_ptr<const IDetector> det = i->getDetector(1000000);
- const double solidAngle = det->solidAngle(samplePos);
+ const auto &det = detectorInfo.detector(detectorInfo.indexOf(1000000));
+ const double solidAngle = det.solidAngle(detectorInfo.samplePosition());
TS_ASSERT_DELTA(10E5 * solidAngle, 6.23454, 0.00001);
AnalysisDataService::Instance().remove(wsName);
diff --git a/Framework/DataHandling/test/LoadIDFFromNexusTest.h b/Framework/DataHandling/test/LoadIDFFromNexusTest.h
index 116fa0aae5a0257b28f5588a3c28e9cceb76f06a..f94a4398c10b11b7f32b9df9421ec662406bdf39 100644
--- a/Framework/DataHandling/test/LoadIDFFromNexusTest.h
+++ b/Framework/DataHandling/test/LoadIDFFromNexusTest.h
@@ -3,21 +3,17 @@
#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadIDFFromNexus.h"
-#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidGeometry/Instrument.h"
-#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/AnalysisDataService.h"
-#include "MantidKernel/Exception.h"
#include "MantidAPI/DetectorInfo.h"
-#include "MantidAPI/FrameworkManager.h"
-#include "MantidAPI/Workspace.h"
-#include "MantidAPI/Algorithm.h"
#include "MantidAPI/Run.h"
-#include "MantidGeometry/Instrument/Component.h"
+#include "MantidAPI/Workspace.h"
+#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidDataHandling/LoadIDFFromNexus.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/Detector.h"
+#include "MantidKernel/Exception.h"
#include "MantidTestHelpers/ScopedFileHelper.h"
-#include <vector>
#include <Poco/Path.h>
using namespace Mantid::API;
@@ -98,26 +94,23 @@ public:
TS_ASSERT_DELTA(samplepos->getPos().Z(), 11.0, 0.01);
// Test third pixel in main detector bank, which has indices (2,0)
- boost::shared_ptr<const Detector> ptrDetMain =
- boost::dynamic_pointer_cast<const Detector>(i->getDetector(5));
- TS_ASSERT_EQUALS(ptrDetMain->getID(), 5);
- TS_ASSERT_EQUALS(ptrDetMain->getName(), "main-detector-bank(2,0)");
- TS_ASSERT_DELTA(ptrDetMain->getPos().X(), -0.3035, 0.0001);
- TS_ASSERT_DELTA(ptrDetMain->getPos().Y(), -0.3124, 0.0001);
- double d = ptrDetMain->getPos().distance(samplepos->getPos());
- TS_ASSERT_DELTA(d, 4.1727, 0.0001);
- double cmpDistance = ptrDetMain->getDistance(*samplepos);
- TS_ASSERT_DELTA(cmpDistance, 4.1727, 0.0001);
-
- TS_ASSERT_EQUALS(ptrDetMain->type(), "RectangularDetectorPixel");
+ const auto &detectorInfo = output->detectorInfo();
+ const auto &ptrDetMain = detectorInfo.detector(detectorInfo.indexOf(5));
+ TS_ASSERT_EQUALS(ptrDetMain.getID(), 5);
+ TS_ASSERT_EQUALS(ptrDetMain.getName(), "main-detector-bank(2,0)");
+ TS_ASSERT_EQUALS(ptrDetMain.type(), "RectangularDetectorPixel");
+ TS_ASSERT_DELTA(ptrDetMain.getPos().X(), -0.3035, 0.0001);
+ TS_ASSERT_DELTA(ptrDetMain.getPos().Y(), -0.3124, 0.0001);
+ TS_ASSERT_DELTA(detectorInfo.l2(detectorInfo.indexOf(5)), 4.1727, 0.0001);
// Test a HAB pixel detector
- boost::shared_ptr<const Detector> ptrDetHab =
- boost::dynamic_pointer_cast<const Detector>(i->getDetector(16734));
- TS_ASSERT_EQUALS(ptrDetHab->getID(), 16734);
- TS_ASSERT_EQUALS(ptrDetHab->getName(), "HAB-pixel");
+ const auto &ptrDetHab = detectorInfo.detector(detectorInfo.indexOf(16734));
+ TS_ASSERT_EQUALS(ptrDetHab.getID(), 16734);
+ TS_ASSERT_EQUALS(ptrDetHab.getName(), "HAB-pixel");
+
// Test a non-existant detector
- TS_ASSERT_THROWS(i->getDetector(16735), Exception::NotFoundError);
+ TS_ASSERT_THROWS(detectorInfo.detector(detectorInfo.indexOf(16735)),
+ std::out_of_range);
// Check the monitors are correctly marked
const auto &detInfo = output->detectorInfo();
diff --git a/Framework/DataHandling/test/LoadILLIndirect2Test.h b/Framework/DataHandling/test/LoadILLIndirect2Test.h
index 560e0c76e531e7faad086021036a61029c143d6c..6edb0144c7d45a819131a2016b5b745a09d49d85 100644
--- a/Framework/DataHandling/test/LoadILLIndirect2Test.h
+++ b/Framework/DataHandling/test/LoadILLIndirect2Test.h
@@ -97,4 +97,46 @@ private:
std::string m_dataFile2015;
};
+class LoadILLIndirect2TestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ for (int i = 0; i < numberOfIterations; ++i) {
+ loadAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testLoadILLIndirectPerformance() {
+ for (auto alg : loadAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete loadAlgPtrs[i];
+ loadAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ }
+
+private:
+ std::vector<LoadILLIndirect2 *> loadAlgPtrs;
+
+ const int numberOfIterations = 5;
+
+ const std::string inFileName = "ILLIN16B_127500.nxs";
+ const std::string outWSName = "LoadILLWsOut";
+
+ LoadILLIndirect2 *setupAlg() {
+ LoadILLIndirect2 *loader = new LoadILLIndirect2;
+ loader->initialize();
+ loader->isInitialized();
+ loader->setPropertyValue("Filename", inFileName);
+ loader->setPropertyValue("OutputWorkspace", outWSName);
+
+ loader->setRethrows(true);
+ return loader;
+ }
+};
+
#endif /* MANTID_DATAHANDLING_LOADILLINDIRECT2TEST_H_ */
diff --git a/Framework/DataHandling/test/LoadILLReflectometryTest.h b/Framework/DataHandling/test/LoadILLReflectometryTest.h
index a2508ce1b0521e5010d98a16b100a4af9dec99cd..f32f030570e0b55d45245b0f2afc811267d6f585 100644
--- a/Framework/DataHandling/test/LoadILLReflectometryTest.h
+++ b/Framework/DataHandling/test/LoadILLReflectometryTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadILLReflectometry.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidDataHandling/LoadILLReflectometry.h"
using namespace Mantid::API;
using Mantid::DataHandling::LoadILLReflectometry;
@@ -51,10 +51,12 @@ public:
TS_ASSERT_EQUALS(output->getNumberHistograms(), 256 + 2);
- double channelWidth = getPropertyFromRun<double>(output, "channel_width");
+ double channelWidth =
+ output->run().getPropertyValueAsType<double>("channel_width");
TS_ASSERT_EQUALS(channelWidth, 57.0);
- double analyserAngle = getPropertyFromRun<double>(output, "dan.value");
+ double analyserAngle =
+ output->run().getPropertyValueAsType<double>("dan.value");
TS_ASSERT_EQUALS(analyserAngle, 3.1909999847412109);
if (!output)
@@ -66,19 +68,48 @@ public:
private:
std::string m_dataFile;
+};
- template <typename T>
- T getPropertyFromRun(MatrixWorkspace_const_sptr inputWS,
- const std::string &propertyName) {
- if (inputWS->run().hasProperty(propertyName)) {
- Mantid::Kernel::Property *prop = inputWS->run().getProperty(propertyName);
- return boost::lexical_cast<T>(prop->value());
- } else {
- std::string mesg =
- "No '" + propertyName + "' property found in the input workspace....";
- throw std::runtime_error(mesg);
+class LoadILLReflectometryTestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ for (int i = 0; i < numberOfIterations; ++i) {
+ loadAlgPtrs.emplace_back(setupAlg());
}
}
+
+ void testLoadILLReflectometryPerformance() {
+ for (auto alg : loadAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete loadAlgPtrs[i];
+ loadAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ }
+
+private:
+ std::vector<LoadILLReflectometry *> loadAlgPtrs;
+
+ const int numberOfIterations = 5;
+
+ const std::string inFileName = "ILLD17-161876-Ni.nxs";
+ const std::string outWSName = "LoadILLReflectomeryWsOut";
+
+ LoadILLReflectometry *setupAlg() {
+ LoadILLReflectometry *loader = new LoadILLReflectometry;
+ loader->initialize();
+ loader->isInitialized();
+ loader->setPropertyValue("Filename", inFileName);
+ loader->setPropertyValue("OutputWorkspace", outWSName);
+
+ loader->setRethrows(true);
+ return loader;
+ }
};
#endif /* MANTID_DATAHANDLING_LOADILLREFLECTOMETRYTEST_H_ */
diff --git a/Framework/DataHandling/test/LoadILLSANSTest.h b/Framework/DataHandling/test/LoadILLSANSTest.h
index 1182d8675e2a96d40313539e7b7db13eb8b83931..b7e748203be4a828e17735e45acaeb97a7df169f 100644
--- a/Framework/DataHandling/test/LoadILLSANSTest.h
+++ b/Framework/DataHandling/test/LoadILLSANSTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadILLSANS.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidDataHandling/LoadILLSANS.h"
using Mantid::DataHandling::LoadILLSANS;
using namespace Mantid::API;
@@ -89,4 +89,46 @@ private:
std::string m_testFileNonTof;
};
+class LoadILLSANSTestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ for (int i = 0; i < numberOfIterations; ++i) {
+ loadAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testLoadILLSANSPerformance() {
+ for (auto alg : loadAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete loadAlgPtrs[i];
+ loadAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ }
+
+private:
+ std::vector<LoadILLSANS *> loadAlgPtrs;
+
+ const int numberOfIterations = 2;
+
+ const std::string inFileName = "ILLD33_041714_NonTof.nxs";
+ const std::string outWSName = "LoadILLSANSWsOut";
+
+ LoadILLSANS *setupAlg() {
+ LoadILLSANS *loader = new LoadILLSANS;
+ loader->initialize();
+ loader->isInitialized();
+ loader->setPropertyValue("Filename", inFileName);
+ loader->setPropertyValue("OutputWorkspace", outWSName);
+
+ loader->setRethrows(true);
+ return loader;
+ }
+};
+
#endif /* MANTID_DATAHANDLING_LOADILLSANSTEST_H_ */
diff --git a/Framework/DataHandling/test/LoadILLTOF2Test.h b/Framework/DataHandling/test/LoadILLTOF2Test.h
index 1cc81243de7d42ae22f175c4f2bdfc1ada8ac430..0841acc1d381c3986a321b1a50ad423af9e6d9b3 100644
--- a/Framework/DataHandling/test/LoadILLTOF2Test.h
+++ b/Framework/DataHandling/test/LoadILLTOF2Test.h
@@ -4,6 +4,7 @@
#include <cxxtest/TestSuite.h>
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidDataHandling/LoadILLTOF2.h"
using namespace Mantid::API;
@@ -39,11 +40,10 @@ public:
* This test only loads the Sample Data
* The elastic peak is obtained on the fly from the sample data.
*/
- MatrixWorkspace_sptr loadDataFile(const std::string dataFile,
- const size_t numberOfHistograms,
- const size_t numberOfChannels,
- const double tofDelay,
- const double tofChannelWidth) {
+ MatrixWorkspace_sptr
+ loadDataFile(const std::string dataFile, const size_t numberOfHistograms,
+ const size_t numberOfMonitors, const size_t numberOfChannels,
+ const double tofDelay, const double tofChannelWidth) {
LoadILLTOF2 loader;
loader.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(loader.initialize())
@@ -59,8 +59,14 @@ public:
outputSpace);
TS_ASSERT_EQUALS(output->getNumberHistograms(), numberOfHistograms)
+ const auto &spectrumInfo = output->spectrumInfo();
for (size_t wsIndex = 0; wsIndex != output->getNumberHistograms();
++wsIndex) {
+ if (wsIndex < numberOfHistograms - numberOfMonitors) {
+ TS_ASSERT(!spectrumInfo.isMonitor(wsIndex))
+ } else {
+ TS_ASSERT(spectrumInfo.isMonitor(wsIndex))
+ }
const auto histogram = output->histogram(wsIndex);
TS_ASSERT_EQUALS(histogram.xMode(),
Mantid::HistogramData::Histogram::XMode::BinEdges)
@@ -102,9 +108,10 @@ public:
const double tofChannelWidth = 5.85;
const size_t channelCount = 512;
const size_t histogramCount = 397;
+ const size_t monitorCount = 1;
MatrixWorkspace_sptr ws =
- loadDataFile("ILL/IN4/084446.nxs", histogramCount, channelCount,
- tofDelay, tofChannelWidth);
+ loadDataFile("ILL/IN4/084446.nxs", histogramCount, monitorCount,
+ channelCount, tofDelay, tofChannelWidth);
const double pulseInterval =
ws->run().getLogAsSingleValue("pulse_interval");
@@ -117,8 +124,9 @@ public:
const double tofChannelWidth = 14.6349;
const size_t channelCount = 512;
const size_t histogramCount = 98305;
- loadDataFile("ILL/IN5/104007.nxs", histogramCount, channelCount, tofDelay,
- tofChannelWidth);
+ const size_t monitorCount = 1;
+ loadDataFile("ILL/IN5/104007.nxs", histogramCount, monitorCount,
+ channelCount, tofDelay, tofChannelWidth);
}
void test_IN6_load() {
@@ -127,9 +135,10 @@ public:
const double tofChannelWidth = 5.8;
const size_t channelCount = 1024;
const size_t histogramCount = 340;
+ const size_t monitorCount = 3;
MatrixWorkspace_sptr ws =
- loadDataFile("ILL/IN6/164192.nxs", histogramCount, channelCount,
- tofDelay, tofChannelWidth);
+ loadDataFile("ILL/IN6/164192.nxs", histogramCount, monitorCount,
+ channelCount, tofDelay, tofChannelWidth);
const double pulseInterval =
ws->run().getLogAsSingleValue("pulse_interval");
diff --git a/Framework/DataHandling/test/LoadILLTOFTest.h b/Framework/DataHandling/test/LoadILLTOFTest.h
deleted file mode 100644
index 57be3f66733566bf2208f1240a628744da2e97d8..0000000000000000000000000000000000000000
--- a/Framework/DataHandling/test/LoadILLTOFTest.h
+++ /dev/null
@@ -1,111 +0,0 @@
-#ifndef LOADILLTOFTEST_H_
-#define LOADILLTOFTEST_H_
-
-#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadILLTOF.h"
-#include "MantidAPI/AnalysisDataService.h"
-#include "MantidAPI/MatrixWorkspace.h"
-
-using namespace Mantid::API;
-using Mantid::DataHandling::LoadILLTOF;
-
-class LoadILLTOFTest : 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 LoadILLTOFTest *createSuite() { return new LoadILLTOFTest(); }
- static void destroySuite(LoadILLTOFTest *suite) { delete suite; }
-
- void tearDown() override { AnalysisDataService::Instance().clear(); }
-
- void testName() {
- LoadILLTOF loader;
- TS_ASSERT_EQUALS(loader.name(), "LoadILLTOF");
- }
-
- void testVersion() {
- LoadILLTOF loader;
- TS_ASSERT_EQUALS(loader.version(), 1);
- }
-
- void testInit() {
- LoadILLTOF loader;
- TS_ASSERT_THROWS_NOTHING(loader.initialize());
- TS_ASSERT(loader.isInitialized());
- }
-
- /*
- * This test only loads the Sample Data
- * The elastic peak is obtained on the fly from the sample data.
- */
- MatrixWorkspace_sptr loadDataFile(const std::string dataFile,
- const int numberOfHistograms) {
- LoadILLTOF loader;
- loader.initialize();
- loader.setPropertyValue("Filename", dataFile);
-
- std::string outputSpace = "LoadILLTOFTest_out";
- loader.setPropertyValue("OutputWorkspace", outputSpace);
- TS_ASSERT_THROWS_NOTHING(loader.execute());
-
- MatrixWorkspace_sptr output =
- AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
- outputSpace);
- MatrixWorkspace_sptr output2D =
- boost::dynamic_pointer_cast<MatrixWorkspace>(output);
-
- TS_ASSERT_EQUALS(output2D->getNumberHistograms(), numberOfHistograms);
-
- // Check all detectors have a defined detector ID >= 0
- Mantid::detid2index_map detectorMap;
- TS_ASSERT_THROWS_NOTHING(
- detectorMap = output->getDetectorIDToWorkspaceIndexMap(true));
-
- // Check all detectors have a unique detector ID
- TS_ASSERT_EQUALS(detectorMap.size(), output->getNumberHistograms());
-
- for (auto value : detectorMap) {
- TS_ASSERT(value.first >= 0);
- }
-
- return output2D;
- }
-
- void test_IN4_load() {
- MatrixWorkspace_sptr ws = loadDataFile("ILL/IN4/084446.nxs", 397);
-
- double pulseInterval = ws->run().getLogAsSingleValue("pulse_interval");
- TS_ASSERT_DELTA(0.003, pulseInterval, 1e-10);
- }
-
- void test_IN5_load() { loadDataFile("ILL/IN5/104007.nxs", 98305); }
-
- void test_IN6_load() {
- MatrixWorkspace_sptr ws = loadDataFile("ILL/IN6/164192.nxs", 340);
-
- double pulseInterval = ws->run().getLogAsSingleValue("pulse_interval");
- TS_ASSERT_DELTA(0.0060337892, pulseInterval, 1e-10);
- }
-};
-
-//------------------------------------------------------------------------------
-// Performance test
-//------------------------------------------------------------------------------
-
-class LoadILLTOFTestPerformance : public CxxTest::TestSuite {
-public:
- LoadILLTOFTestPerformance() : m_dataFile("ILL/IN5/104007.nxs") {}
-
- void testDefaultLoad() {
- Mantid::DataHandling::LoadILLTOF loader;
- loader.initialize();
- loader.setPropertyValue("Filename", m_dataFile);
- loader.setPropertyValue("OutputWorkspace", "ws");
- TS_ASSERT(loader.execute());
- }
-
-private:
- std::string m_dataFile;
-};
-
-#endif /*LOADILLTOFTEST_H_*/
diff --git a/Framework/DataHandling/test/LoadISISNexusTest.h b/Framework/DataHandling/test/LoadISISNexusTest.h
index 69dfcebd9ccb1bded3b0d830656b8a332435578d..28635fbd1e6f357921eb3cdfe79532c0f9f0300c 100644
--- a/Framework/DataHandling/test/LoadISISNexusTest.h
+++ b/Framework/DataHandling/test/LoadISISNexusTest.h
@@ -3,19 +3,15 @@
#include <cxxtest/TestSuite.h>
-#include "MantidGeometry/IDTypes.h"
-#include "MantidGeometry/Instrument.h"
-#include "MantidKernel/TimeSeriesProperty.h"
-#include "MantidKernel/ArrayProperty.h"
-#include "MantidKernel/LogFilter.h"
-#include "MantidKernel/FilteredTimeSeriesProperty.h"
-
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidAPI/FrameworkManager.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceGroup.h"
-
#include "MantidDataHandling/LoadISISNexus2.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/FilteredTimeSeriesProperty.h"
+#include "MantidKernel/TimeSeriesProperty.h"
#include <cmath>
@@ -76,7 +72,6 @@ private:
public:
void testExecMonSeparated() {
- Mantid::API::FrameworkManager::Instance();
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -121,8 +116,6 @@ public:
TS_ASSERT_EQUALS(mon_ws->y(0)[3], 0.);
const std::vector<Property *> &logs = mon_ws->run().getLogData();
- for (size_t i = 0; i < logs.size(); ++i)
- std::cerr << logs[i]->name() << "\n";
TS_ASSERT_EQUALS(logs.size(), 62);
std::string header =
@@ -151,7 +144,7 @@ public:
}
void testExec() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -265,7 +258,7 @@ public:
}
void testExec2() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -351,7 +344,7 @@ public:
}
void testExec3() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -397,7 +390,7 @@ public:
}
void testMultiPeriodEntryNumberZero() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "TEST00000008.nxs");
@@ -435,7 +428,7 @@ public:
}
void testMultiPeriodEntryNumberNonZero() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "TEST00000008.nxs");
@@ -468,7 +461,7 @@ public:
}
void testLoadMultiPeriodData() {
- Mantid::API::FrameworkManager::Instance();
+
const std::string wsName = "outWS";
LoadISISNexus2 loadingAlg;
loadingAlg.initialize();
@@ -518,7 +511,7 @@ public:
}
void test_instrument_and_default_param_loaded_when_inst_not_in_nexus_file() {
- Mantid::API::FrameworkManager::Instance();
+
const std::string wsName = "InstNotInNexus";
LoadISISNexus2 loadingAlg;
loadingAlg.initialize();
@@ -548,7 +541,7 @@ public:
}
void testExecMonExcluded() {
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -781,7 +774,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -833,12 +826,15 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 143 should have a spectrum number of 144", 144,
ws->getSpectrum(143).getSpectrumNo());
+
+ const auto &spectrumInfo = ws->spectrumInfo();
+
TSM_ASSERT_EQUALS(
"Detector at WS index 142 should have a detector ID of 143", 143,
- ws->getDetector(142)->getID());
+ spectrumInfo.detector(142).getID());
TSM_ASSERT_EQUALS(
"Detector at WS index 143 should have a detector ID of 144", 144,
- ws->getDetector(143)->getID());
+ spectrumInfo.detector(143).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -850,7 +846,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -915,8 +911,10 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 24 should have a spectrum number of 73", 73,
ws->getSpectrum(24).getSpectrumNo());
+
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 24 should have a detector ID of 73",
- 73, ws->getDetector(24)->getID());
+ 73, spectrumInfo.detector(24).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -930,7 +928,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -983,12 +981,14 @@ public:
TSM_ASSERT_EQUALS(
"Monitor at WS index 144 should have a spectrum number of 145", 145,
ws->getSpectrum(144).getSpectrumNo());
+
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS(
"Detector at WS index 142 should have a detector ID of 143", 143,
- ws->getDetector(142)->getID());
+ spectrumInfo.detector(142).getID());
TSM_ASSERT_EQUALS(
"Detector at WS index 144 should have a detector ID of 145", 145,
- ws->getDetector(144)->getID());
+ spectrumInfo.detector(144).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1000,7 +1000,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -1070,18 +1070,20 @@ public:
// Check that the data has the expected spectrum number and the expected
// detecor ID (for some sample spectra)
+ const auto &spectrumInfo = ws->spectrumInfo();
+
TSM_ASSERT_EQUALS(
"Detector at WS index 24 should have a spectrum number of 73", 73,
ws->getSpectrum(24).getSpectrumNo());
TSM_ASSERT_EQUALS("Detector at WS index 24 should have a detector ID of 73",
- 73, ws->getDetector(24)->getID());
+ 73, spectrumInfo.detector(24).getID());
TSM_ASSERT_EQUALS(
"Monitor at WS index 25 should have a spectrum number of 145", 145,
ws->getSpectrum(25).getSpectrumNo());
TSM_ASSERT_EQUALS(
"Detector at WS index 25 should have a detector ID of 145", 145,
- ws->getDetector(25)->getID());
+ spectrumInfo.detector(25).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1095,7 +1097,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -1169,18 +1171,22 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 143 should have a spectrum number of 144", 144,
ws->getSpectrum(143).getSpectrumNo());
+
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS(
"Detector at WS index 142 should have a detector ID of 143", 143,
- ws->getDetector(142)->getID());
+ spectrumInfo.detector(142).getID());
TSM_ASSERT_EQUALS(
"Detector at WS index 143 should have a detector ID of 144", 144,
- ws->getDetector(143)->getID());
+ spectrumInfo.detector(143).getID());
TSM_ASSERT_EQUALS(
"Monitor at WS index 0 should have a spectrum number of 145", 145,
mon_ws->getSpectrum(0).getSpectrumNo());
+
+ const auto &monSpectrumInfo = mon_ws->spectrumInfo();
TSM_ASSERT_EQUALS("Monitor at WS index 0 should have a detector ID of 145",
- 145, mon_ws->getDetector(0)->getID());
+ 145, monSpectrumInfo.detector(0).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1193,7 +1199,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -1265,15 +1271,17 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 2 should have a spectrum number of 51", 51,
ws->getSpectrum(2).getSpectrumNo());
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 2 should have a detector ID of 51",
- 51, ws->getDetector(2)->getID());
+ 51, spectrumInfo.detector(2).getID());
// Test the monitor workspace
TSM_ASSERT_EQUALS(
"Detector at WS index 0 should have a spectrum number of 145", 145,
mon_ws->getSpectrum(0).getSpectrumNo());
+ const auto &monSpectrumInfo = mon_ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 0 should have a detector ID of 145",
- 145, mon_ws->getDetector(0)->getID());
+ 145, monSpectrumInfo.detector(0).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1286,7 +1294,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -1358,15 +1366,17 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 2 should have a spectrum number of 51", 51,
ws->getSpectrum(2).getSpectrumNo());
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 2 should have a detector ID of 51",
- 51, ws->getDetector(2)->getID());
+ 51, spectrumInfo.detector(2).getID());
// Test the monitor workspace
TSM_ASSERT_EQUALS(
"Detector at WS index 2 should have a spectrum number of 147", 147,
mon_ws->getSpectrum(2).getSpectrumNo());
+ const auto &monSpectrumInfo = mon_ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 2 should have a detector ID of 147",
- 147, mon_ws->getDetector(2)->getID());
+ 147, monSpectrumInfo.detector(2).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1379,7 +1389,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setRethrows(true);
@@ -1404,16 +1414,18 @@ public:
TSM_ASSERT_EQUALS("Should have 17036 bins", ws->blocksize(), 17036);
TSM_ASSERT_EQUALS("Should have 2 detectors", ws->getNumberHistograms(), 2);
+ const auto &spectrumInfo = ws->spectrumInfo();
+
TSM_ASSERT_EQUALS(
"Monitor at WS index 0 should have a spectrum number of 145", 145,
ws->getSpectrum(0).getSpectrumNo());
TSM_ASSERT_EQUALS("Monitor at WS index 0 should have a detector ID of 145",
- 145, ws->getDetector(0)->getID());
+ 145, spectrumInfo.detector(0).getID());
TSM_ASSERT_EQUALS(
"Monitor at WS index 1 should have a spectrum number of 147", 147,
ws->getSpectrum(1).getSpectrumNo());
TSM_ASSERT_EQUALS("Monitor at WS index 1 should have a detector ID of 147",
- 147, ws->getDetector(1)->getID());
+ 147, spectrumInfo.detector(1).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1425,7 +1437,7 @@ public:
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "INS09161.nxs");
@@ -1485,8 +1497,10 @@ public:
TSM_ASSERT_EQUALS(
"Detector at WS index 2 should have a spectrum number of 52", 52,
ws->getSpectrum(2).getSpectrumNo());
+
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 2 should have a detector ID of 52",
- 52, ws->getDetector(2)->getID());
+ 52, spectrumInfo.detector(2).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1494,12 +1508,12 @@ public:
}
void
- test_that_non_contiguous_data_loads_only_monitors_in_parts_when_only_lower_bound_is_specfied_without_spectra_list() {
+ test_that_non_contiguous_data_loads_only_monitors_in_parts_when_only_lower_bound_is_specified_without_spectra_list() {
/*
Monitors can be found at detID: 145, 146, 147, 148
*/
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.initialize();
ld.setPropertyValue("Filename", "LOQ49886.nxs");
@@ -1530,22 +1544,24 @@ public:
mon_ws->getNumberHistograms(), 1);
// Check some samples
+ const auto &spectrumInfo = ws->spectrumInfo();
TSM_ASSERT_EQUALS(
"Detector at WS index 2 should have a spectrum number of 5", 5,
ws->getSpectrum(2).getSpectrumNo());
TSM_ASSERT_EQUALS("Detector at WS index 2 should have a detector ID of 5",
- 5, ws->getDetector(2)->getID());
+ 5, spectrumInfo.detector(2).getID());
TSM_ASSERT_EQUALS(
"Detector at WS index 3 should have a spectrum number of 6", 6,
ws->getSpectrum(3).getSpectrumNo());
TSM_ASSERT_EQUALS("Detector at WS index 3 should have a detector ID of 6",
- 6, ws->getDetector(3)->getID());
+ 6, spectrumInfo.detector(3).getID());
TSM_ASSERT_EQUALS(
"Detector at WS index 0 should have a spectrum number of 2", 2,
mon_ws->getSpectrum(0).getSpectrumNo());
+ const auto &monSpectrumInfo = mon_ws->spectrumInfo();
TSM_ASSERT_EQUALS("Detector at WS index 0 should have a detector ID of 2",
- 2, mon_ws->getDetector(0)->getID());
+ 2, monSpectrumInfo.detector(0).getID());
// Clean up
AnalysisDataService::Instance().remove("outWS");
@@ -1554,7 +1570,6 @@ public:
void test_that_multiple_time_regime_file_is_detected_and_loads() {
// Arrange
- Mantid::API::FrameworkManager::Instance();
LoadISISNexus2 ld;
ld.setRethrows(true);
ld.initialize();
@@ -1574,7 +1589,7 @@ public:
// Data: |--Mon--||--Det--||--Mon--||--Det--|
// Select: | |
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.setRethrows(true);
ld.initialize();
@@ -1596,7 +1611,7 @@ public:
// Data: |--Mon--||--Det--||--Mon--||--Det--|
// Select: | |
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.setRethrows(true);
ld.initialize();
@@ -1614,7 +1629,7 @@ public:
void
test_that_when_selecting_list_with_only_monitors_and_exclude_monitors_exception_is_thrown() {
// Arrange
- Mantid::API::FrameworkManager::Instance();
+
LoadISISNexus2 ld;
ld.setRethrows(true);
ld.initialize();
diff --git a/Framework/DataHandling/test/LoadInstrumentFromRawTest.h b/Framework/DataHandling/test/LoadInstrumentFromRawTest.h
index 790592dc73693a0388354d87fcbf83718d152bf0..ca52ea4a3ff85fe1f80944427e494bb31e18e424 100644
--- a/Framework/DataHandling/test/LoadInstrumentFromRawTest.h
+++ b/Framework/DataHandling/test/LoadInstrumentFromRawTest.h
@@ -3,22 +3,17 @@
#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadInstrumentFromRaw.h"
-#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidGeometry/Instrument.h"
-#include "MantidDataObjects/Workspace2D.h"
#include "MantidAPI/AnalysisDataService.h"
-#include "MantidKernel/Exception.h"
#include "MantidAPI/DetectorInfo.h"
-#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/Workspace.h"
-#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidDataHandling/LoadInstrumentFromRaw.h"
+#include "MantidDataObjects/Workspace2D.h"
+#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/Instrument/Component.h"
#include "MantidGeometry/Instrument/Detector.h"
-#include <vector>
using namespace Mantid::API;
-using namespace Mantid::Kernel;
using namespace Mantid::Geometry;
using namespace Mantid::DataHandling;
using namespace Mantid::DataObjects;
@@ -30,10 +25,8 @@ public:
}
static void destroySuite(LoadInstrumentFromRawTest *suite) { delete suite; }
- LoadInstrumentFromRawTest() {
- // initialise framework manager to allow logging
- // Mantid::API::FrameworkManager::Instance().initialize();
- }
+ LoadInstrumentFromRawTest() {}
+
void testInit() {
TS_ASSERT(!loader.isInitialized());
TS_ASSERT_THROWS_NOTHING(loader.initialize());
@@ -84,27 +77,21 @@ public:
boost::shared_ptr<const IComponent> samplepos = i->getSample();
TS_ASSERT_DELTA(samplepos->getPos().Y(), 0.0, 0.01);
- boost::shared_ptr<const Detector> ptrDetSp =
- boost::dynamic_pointer_cast<const Detector>(i->getDetector(5));
- TS_ASSERT_EQUALS(ptrDetSp->getID(), 5);
- TS_ASSERT_EQUALS(ptrDetSp->getName(), "det");
- TS_ASSERT_DELTA(
- ptrDetSp->getPos().X(), 0,
- 0.01); // using phi values from raw file changes sign of this
- TS_ASSERT_DELTA(ptrDetSp->getPos().Z(), -11.1499, 0.01);
- double d = ptrDetSp->getPos().distance(samplepos->getPos());
- TS_ASSERT_DELTA(d, 11.1499, 0.0001);
- double cmpDistance = ptrDetSp->getDistance(*samplepos);
- TS_ASSERT_DELTA(cmpDistance, 11.1499, 0.0001);
-
- TS_ASSERT_EQUALS(ptrDetSp->type(), "DetectorComponent");
+ const auto &detectorInfo = output->detectorInfo();
+ const auto &ptrDetSp = detectorInfo.detector(detectorInfo.indexOf(5));
+ TS_ASSERT_EQUALS(ptrDetSp.getID(), 5);
+ TS_ASSERT_EQUALS(ptrDetSp.getName(), "det");
+ TS_ASSERT_EQUALS(ptrDetSp.type(), "DetectorComponent");
+ // using phi values from raw file changes sign of this
+ TS_ASSERT_DELTA(ptrDetSp.getPos().X(), 0, 0.01);
+ TS_ASSERT_DELTA(ptrDetSp.getPos().Z(), -11.1499, 0.01);
+ TS_ASSERT_DELTA(detectorInfo.l2(detectorInfo.indexOf(5)), 11.1499, 0.0001);
// also a few tests on the last detector and a test for the one beyond the
// last
- boost::shared_ptr<const Detector> ptrDetLast =
- boost::dynamic_pointer_cast<const Detector>(i->getDetector(8));
- TS_ASSERT_EQUALS(ptrDetLast->getID(), 8);
- TS_ASSERT_THROWS(i->getDetector(9), Exception::NotFoundError);
+ const auto &ptrDetLast = detectorInfo.detector(detectorInfo.indexOf(8));
+ TS_ASSERT_EQUALS(ptrDetLast.getID(), 8);
+ TS_ASSERT_THROWS(detectorInfo.indexOf(9), std::out_of_range);
// Check the monitors are correctly marked
const auto &detInfo = output->detectorInfo();
diff --git a/Framework/DataHandling/test/LoadInstrumentTest.h b/Framework/DataHandling/test/LoadInstrumentTest.h
index b5e66c754255fa84c28a75d0f9dbf9510f20d404..1e6e23c8191488661958d7a3d0b40bb1859ef84c 100644
--- a/Framework/DataHandling/test/LoadInstrumentTest.h
+++ b/Framework/DataHandling/test/LoadInstrumentTest.h
@@ -1,27 +1,23 @@
#ifndef LOADINSTRUMENTTEST_H_
#define LOADINSTRUMENTTEST_H_
-#include "MantidHistogramData/LinearGenerator.h"
-#include "MantidAPI/Algorithm.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/Axis.h"
#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/ExperimentInfo.h"
-#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/InstrumentDataService.h"
-#include "MantidAPI/Workspace.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidDataHandling/LoadInstrument.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidGeometry/Instrument/FitParameter.h"
#include "MantidGeometry/Instrument.h"
-#include "MantidGeometry/Instrument/RectangularDetector.h"
+#include "MantidGeometry/Instrument/FitParameter.h"
+#include "MantidHistogramData/LinearGenerator.h"
#include "MantidKernel/Exception.h"
#include "MantidKernel/Strings.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
#include <cxxtest/TestSuite.h>
-#include <fstream>
#include <string>
#include <vector>
@@ -94,15 +90,6 @@ public:
TS_ASSERT_EQUALS(loader.getPropertyValue("MonitorList"), "601,602,603,604");
- // std::vector<detid_t> dets = ws2D->getInstrument()->getDetectorIDs();
- // std::cout << dets.size() << " detectors in the instrument" <<
- // '\n';
- // for (size_t i=0; i<dets.size(); i++)
- // {
- // if (i % 10 == 0) std::cout << '\n';
- // std::cout << dets[i] << ", ";
- // }
-
// Get back the saved workspace
MatrixWorkspace_sptr output;
TS_ASSERT_THROWS_NOTHING(
@@ -119,14 +106,15 @@ public:
TS_ASSERT_EQUALS(samplepos->getName(), "nickel-holder");
TS_ASSERT_DELTA(samplepos->getPos().Z(), 0.0, 0.01);
- boost::shared_ptr<const IDetector> ptrDet103 = i->getDetector(103);
- TS_ASSERT_EQUALS(ptrDet103->getID(), 103);
- TS_ASSERT_EQUALS(ptrDet103->getName(), "pixel");
- TS_ASSERT_DELTA(ptrDet103->getPos().X(), 0.4013, 0.01);
- TS_ASSERT_DELTA(ptrDet103->getPos().Z(), 2.4470, 0.01);
- double d = ptrDet103->getPos().distance(samplepos->getPos());
+ const auto &detectorInfo = output->detectorInfo();
+ const auto &ptrDet103 = detectorInfo.detector(detectorInfo.indexOf(103));
+ TS_ASSERT_EQUALS(ptrDet103.getID(), 103);
+ TS_ASSERT_EQUALS(ptrDet103.getName(), "pixel");
+ TS_ASSERT_DELTA(ptrDet103.getPos().X(), 0.4013, 0.01);
+ TS_ASSERT_DELTA(ptrDet103.getPos().Z(), 2.4470, 0.01);
+ double d = ptrDet103.getPos().distance(samplepos->getPos());
TS_ASSERT_DELTA(d, 2.512, 0.0001);
- double cmpDistance = ptrDet103->getDistance(*samplepos);
+ double cmpDistance = ptrDet103.getDistance(*samplepos);
TS_ASSERT_DELTA(cmpDistance, 2.512, 0.0001);
// test if detector with det_id=603 has been marked as a monitor
@@ -140,17 +128,19 @@ public:
TS_ASSERT_EQUALS(output->getAxis(1)->spectraNo(257), 258);
auto ids_from_map = output->getSpectrum(257).getDetectorIDs();
- IDetector_const_sptr det_from_ws = output->getDetector(257);
+ const auto &spectrumInfo = output->spectrumInfo();
+ const auto &det_from_ws = spectrumInfo.detector(257);
TS_ASSERT_EQUALS(ids_from_map.size(), 1);
TS_ASSERT_EQUALS(*ids_from_map.begin(), 602);
- TS_ASSERT_EQUALS(det_from_ws->getID(), 602);
+ TS_ASSERT_EQUALS(det_from_ws.getID(), 602);
// also a few tests on the last detector and a test for the one beyond the
// last
- boost::shared_ptr<const IDetector> ptrDetLast = i->getDetector(413256);
- TS_ASSERT_EQUALS(ptrDetLast->getID(), 413256);
- TS_ASSERT_EQUALS(ptrDetLast->getName(), "pixel");
- TS_ASSERT_THROWS(i->getDetector(413257), Exception::NotFoundError);
+ const auto &ptrDetLast =
+ detectorInfo.detector(detectorInfo.indexOf(413256));
+ TS_ASSERT_EQUALS(ptrDetLast.getID(), 413256);
+ TS_ASSERT_EQUALS(ptrDetLast.getName(), "pixel");
+ TS_ASSERT_THROWS(detectorInfo.indexOf(413257), std::out_of_range);
// Test input data is unchanged
Workspace2D_sptr output2DInst =
@@ -226,17 +216,18 @@ public:
TS_ASSERT_EQUALS(samplepos->getName(), "nickel-holder");
TS_ASSERT_DELTA(samplepos->getPos().Y(), 0.0, 0.01);
- boost::shared_ptr<const IDetector> ptrDet = i->getDetector(101);
- TS_ASSERT_EQUALS(ptrDet->getID(), 101);
+ const auto &detectorInfo = output->detectorInfo();
+ const auto &ptrDet = detectorInfo.detector(detectorInfo.indexOf(101));
+ TS_ASSERT_EQUALS(ptrDet.getID(), 101);
TS_ASSERT(output->detectorInfo().isMonitor(0));
- boost::shared_ptr<const IDetector> ptrDetShape = i->getDetector(102);
- TS_ASSERT(ptrDetShape->isValid(V3D(0.0, 0.0, 0.0) + ptrDetShape->getPos()));
+ const auto &ptrDetShape = detectorInfo.detector(detectorInfo.indexOf(102));
+ TS_ASSERT(ptrDetShape.isValid(V3D(0.0, 0.0, 0.0) + ptrDetShape.getPos()));
+ TS_ASSERT(
+ ptrDetShape.isValid(V3D(0.0, 0.0, 0.000001) + ptrDetShape.getPos()));
TS_ASSERT(
- ptrDetShape->isValid(V3D(0.0, 0.0, 0.000001) + ptrDetShape->getPos()));
- TS_ASSERT(ptrDetShape->isValid(V3D(0.005, 0.1, 0.000002) +
- ptrDetShape->getPos()));
+ ptrDetShape.isValid(V3D(0.005, 0.1, 0.000002) + ptrDetShape.getPos()));
// test of sample shape
TS_ASSERT(samplepos->isValid(V3D(0.0, 0.0, 0.005) + samplepos->getPos()));
@@ -284,14 +275,13 @@ public:
output = AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
wsName));
- boost::shared_ptr<const Instrument> i = output->getInstrument();
-
- boost::shared_ptr<const IDetector> ptrDet = i->getDetector(20201001);
- TS_ASSERT_EQUALS(ptrDet->getName(), "det 1");
- TS_ASSERT_EQUALS(ptrDet->getID(), 20201001);
- TS_ASSERT_DELTA(ptrDet->getPos().X(), -0.0909, 0.0001);
- TS_ASSERT_DELTA(ptrDet->getPos().Y(), 0.3983, 0.0001);
- TS_ASSERT_DELTA(ptrDet->getPos().Z(), 4.8888, 0.0001);
+ const auto &detectorInfo = output->detectorInfo();
+ const auto &ptrDet = detectorInfo.detector(detectorInfo.indexOf(20201001));
+ TS_ASSERT_EQUALS(ptrDet.getName(), "det 1");
+ TS_ASSERT_EQUALS(ptrDet.getID(), 20201001);
+ TS_ASSERT_DELTA(ptrDet.getPos().X(), -0.0909, 0.0001);
+ TS_ASSERT_DELTA(ptrDet.getPos().Y(), 0.3983, 0.0001);
+ TS_ASSERT_DELTA(ptrDet.getPos().Z(), 4.8888, 0.0001);
AnalysisDataService::Instance().remove(wsName);
}
@@ -400,29 +390,36 @@ public:
TS_ASSERT_EQUALS(neutronicInst.get(),
ws->getInstrument()->baseInstrument().get());
// Check the neutronic positions
- TS_ASSERT_EQUALS(neutronicInst->getDetector(1000)->getPos(), V3D(2, 2, 0));
- TS_ASSERT_EQUALS(neutronicInst->getDetector(1001)->getPos(), V3D(2, 3, 0));
- TS_ASSERT_EQUALS(neutronicInst->getDetector(1002)->getPos(), V3D(3, 2, 0));
- TS_ASSERT_EQUALS(neutronicInst->getDetector(1003)->getPos(), V3D(3, 3, 0));
- // Note that one of the physical pixels doesn't exist in the neutronic space
- TS_ASSERT_THROWS(neutronicInst->getDetector(1004),
- Exception::NotFoundError);
- TS_ASSERT_EQUALS(neutronicInst->getDetector(1005)->getPos(), V3D(4, 3, 0));
+ const auto &detectorInfo = ws->detectorInfo();
+ TS_ASSERT_EQUALS(detectorInfo.position(detectorInfo.indexOf(1000)),
+ V3D(2, 2, 0));
+ TS_ASSERT_EQUALS(detectorInfo.position(detectorInfo.indexOf(1001)),
+ V3D(2, 3, 0));
+ TS_ASSERT_EQUALS(detectorInfo.position(detectorInfo.indexOf(1002)),
+ V3D(3, 2, 0));
+ TS_ASSERT_EQUALS(detectorInfo.position(detectorInfo.indexOf(1003)),
+ V3D(3, 3, 0));
+ // Note that one of the physical pixels doesn't exist in the neutronic
+ // space
+ TS_ASSERT_THROWS(detectorInfo.indexOf(1004), std::out_of_range);
+ TS_ASSERT_EQUALS(detectorInfo.position(detectorInfo.indexOf(1005)),
+ V3D(4, 3, 0));
// Check that the first 2 detectors share the same shape in the physical
// instrument...
TS_ASSERT_EQUALS(physicalInst->getDetector(1000)->shape(),
physicalInst->getDetector(1001)->shape())
// ...but not in the neutronic instrument
- TS_ASSERT_DIFFERS(neutronicInst->getDetector(1000)->shape(),
+ TS_ASSERT_DIFFERS(detectorInfo.detector(detectorInfo.indexOf(1000)).shape(),
neutronicInst->getDetector(1001)->shape())
- // Also, the same shape is shared between the corresponding '1000' detectors
+ // Also, the same shape is shared between the corresponding '1000'
+ // detectors
TS_ASSERT_EQUALS(physicalInst->getDetector(1000)->shape(),
- neutronicInst->getDetector(1000)->shape())
+ detectorInfo.detector(detectorInfo.indexOf(1000)).shape())
// Check the monitor is in the same place in each instrument
TS_ASSERT_EQUALS(physicalInst->getDetector(1)->getPos(),
- neutronicInst->getDetector(1)->getPos());
+ detectorInfo.position(detectorInfo.indexOf(1)));
// ...but is not the same object
TS_ASSERT_DIFFERS(physicalInst->getDetector(1).get(),
neutronicInst->getDetector(1).get());
diff --git a/Framework/DataHandling/test/LoadLLBTest.h b/Framework/DataHandling/test/LoadLLBTest.h
index 3f638dcf051512f951258c7a8e9d4ade1637e227..c51c19b0002eda5df43e0fe140ef0f1074b96f83 100644
--- a/Framework/DataHandling/test/LoadLLBTest.h
+++ b/Framework/DataHandling/test/LoadLLBTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
-#include "MantidDataHandling/LoadLLB.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidDataHandling/LoadLLB.h"
using namespace Mantid::API;
using Mantid::DataHandling::LoadLLB;
@@ -60,4 +60,45 @@ private:
std::string m_testFile;
};
+class LoadLLBTestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ for (int i = 0; i < numberOfIterations; ++i) {
+ loadAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testLoadLLBPerformance() {
+ for (auto alg : loadAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete loadAlgPtrs[i];
+ loadAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ }
+
+private:
+ std::vector<LoadLLB *> loadAlgPtrs;
+
+ const int numberOfIterations = 5;
+
+ const std::string inFileName = "LLB_d22418.nxs";
+ const std::string outWSName = "LoadLLBWsOut";
+
+ LoadLLB *setupAlg() {
+ LoadLLB *loader = new LoadLLB;
+ loader->initialize();
+ loader->isInitialized();
+ loader->setPropertyValue("Filename", inFileName);
+ loader->setPropertyValue("OutputWorkspace", outWSName);
+
+ loader->setRethrows(true);
+ return loader;
+ }
+};
#endif /* MANTID_DATAHANDLING_LOADLLBTEST_H_ */
diff --git a/Framework/DataHandling/test/LoadSpiceXML2DDetTest.h b/Framework/DataHandling/test/LoadSpiceXML2DDetTest.h
index e09c309c9fd14e775f2b55bbf99a5cc9d61e08d3..6a738fb4bffb91871682637a2d950c22244b7490 100644
--- a/Framework/DataHandling/test/LoadSpiceXML2DDetTest.h
+++ b/Framework/DataHandling/test/LoadSpiceXML2DDetTest.h
@@ -119,7 +119,7 @@ public:
// check start_time and end_time
TS_ASSERT(outws->run().hasProperty("start_time"));
std::string start_time = outws->run().getProperty("start_time")->value();
- TS_ASSERT_EQUALS(start_time, "2015-01-17 13:36:45");
+ TS_ASSERT_EQUALS(start_time, "2015-01-17T13:36:45");
// Clean
AnalysisDataService::Instance().remove("Exp0335_S0038");
@@ -162,6 +162,10 @@ public:
TS_ASSERT(outws);
TS_ASSERT_EQUALS(outws->getNumberHistograms(), 256 * 256);
+ for (auto property : outws->run().getProperties()) {
+ std::cout << property->name() << ": " << property->value() << "\n";
+ }
+
// test signal value on various pixels
// pixel at (256, 1): column 1
TS_ASSERT_DELTA(outws->readY(255)[0], 1.0, 0.0001);
@@ -579,6 +583,103 @@ public:
AnalysisDataService::Instance().remove("Exp0335_S0038C");
}
+ //----------------------------------------------------------------------------------------------
+ /** Test with loading instrument without Spice scan Table and WITHOUT
+ * user-specified detector
+ * geometry, while the 2theta value is from sample
+ * sample log
+ * Testing includes:
+ * 1. Load the instrument without Spice Table;
+ * 2. Check the positions of detectors.
+ * (a) at center pixel, 2-theta = 42.797
+ * This should have the same result as unti test
+ * "test_loadDataUsingSampleLogValue"
+ * @brief Load data and instrument with sample log value
+ */
+ void test_loadDataWithoutSpecifyingDetectorGeometry() {
+ // initialize the algorithm
+ LoadSpiceXML2DDet loader;
+ loader.initialize();
+
+ // set up properties
+ const std::string filename("HB3A_exp355_scan0001_0522.xml");
+ TS_ASSERT_THROWS_NOTHING(loader.setProperty("Filename", filename));
+ TS_ASSERT_THROWS_NOTHING(
+ loader.setProperty("OutputWorkspace", "Exp0335_S0038F"));
+ std::vector<size_t> geometryvec;
+ geometryvec.push_back(0);
+ geometryvec.push_back(0);
+ loader.setProperty("DetectorGeometry", geometryvec);
+ loader.setProperty("LoadInstrument", true);
+ loader.setProperty("ShiftedDetectorDistance", 0.);
+
+ loader.execute();
+ TS_ASSERT(loader.isExecuted());
+
+ // Get data
+ MatrixWorkspace_sptr outws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ AnalysisDataService::Instance().retrieve("Exp0335_S0038F"));
+ TS_ASSERT(outws);
+ TS_ASSERT_EQUALS(outws->getNumberHistograms(), 256 * 256);
+
+ // Value
+ // test signal value on various pixels
+ // pixel at (256, 1): column 1
+ TS_ASSERT_DELTA(outws->readY(255)[0], 1.0, 0.0001);
+ // pixel at (254, 256): colun 256
+ TS_ASSERT_DELTA(outws->readY(255 * 256 + 138)[0], 2.0, 0.00001);
+
+ // Instrument
+ TS_ASSERT(outws->getInstrument());
+
+ // get 2theta from workspace
+ double twotheta_raw =
+ atof(outws->run().getProperty("_2theta")->value().c_str());
+
+ Kernel::Property *raw_property = outws->run().getProperty("2theta");
+ Kernel::TimeSeriesProperty<double> *twotheta_property =
+ dynamic_cast<Kernel::TimeSeriesProperty<double> *>(raw_property);
+ TS_ASSERT(twotheta_property);
+ double twotheta_log = twotheta_property->valuesAsVector()[0];
+ // 2-theta = 42.797
+
+ TS_ASSERT_EQUALS(twotheta_raw, twotheta_log);
+
+ // check the center of the detector
+ const auto &spectrumInfo = outws->spectrumInfo();
+
+ // check the center position
+ size_t center_row = 115 - 1;
+ size_t center_col = 128 - 1;
+ size_t center_ws_index = 256 * center_col + center_row;
+ const auto center_det_pos = spectrumInfo.position(center_ws_index);
+ TS_ASSERT_DELTA(center_det_pos.Y(), 0., 0.00000001);
+ double sample_center_distance = spectrumInfo.l2(center_ws_index);
+ // TS_ASSERT_DELTA(center_det_pos.X(), )
+ TS_ASSERT_DELTA(sample_center_distance, 0.3750, 0.0000001);
+ double sample_center_angle = spectrumInfo.twoTheta(center_ws_index);
+ TS_ASSERT_DELTA(sample_center_angle * 180. / M_PI, twotheta_log, 0.0001);
+
+ size_t ll_ws_index = 0;
+ const auto ll_det_pos = spectrumInfo.position(ll_ws_index);
+ double ll_sample_r = spectrumInfo.l2(ll_ws_index);
+ TS_ASSERT_DELTA(ll_sample_r, 0.37597, 0.001);
+
+ size_t lu_ws_index = 255; // row = 255, col = 1
+ const auto lu_det_pos = spectrumInfo.position(lu_ws_index);
+ double lu_sample_r = spectrumInfo.l2(lu_ws_index);
+ TS_ASSERT_DELTA(lu_sample_r, 0.37689, 0.001);
+
+ TS_ASSERT_DELTA(ll_det_pos.X(), lu_det_pos.X(), 0.000001);
+ TS_ASSERT(ll_det_pos.Y() + lu_det_pos.Y() > 0);
+
+ TS_ASSERT(ll_det_pos.X() > center_det_pos.X());
+
+ // Clean
+ AnalysisDataService::Instance().remove("Exp0335_S0038F");
+ }
+
+ //----------------------------------------------------------------------------------------------
/** Create SPICE scan table workspace
* @brief createSpiceScanTable
* @return
diff --git a/Framework/DataHandling/test/LoadVulcanCalFileTest.h b/Framework/DataHandling/test/LoadVulcanCalFileTest.h
index 80fe183855ec181868368c851fdf9b26acba9f74..749de53f3acdd8c3f1e7035f13a91edc90a3316e 100644
--- a/Framework/DataHandling/test/LoadVulcanCalFileTest.h
+++ b/Framework/DataHandling/test/LoadVulcanCalFileTest.h
@@ -4,12 +4,9 @@
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/SpectrumInfo.h"
-#include "MantidKernel/System.h"
-#include "MantidKernel/Timer.h"
-#include <cxxtest/TestSuite.h>
-
#include "MantidDataHandling/LoadVulcanCalFile.h"
#include "MantidDataObjects/GroupingWorkspace.h"
+#include <cxxtest/TestSuite.h>
using namespace Mantid::DataHandling;
using namespace Mantid::DataObjects;
@@ -167,4 +164,55 @@ public:
}
};
+class LoadVulcanCalFileTestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ for (int i = 0; i < numberOfIterations; ++i) {
+ loadAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testLoadVulcanCalFilePerformance() {
+ for (auto alg : loadAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete loadAlgPtrs[i];
+ loadAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(outWSName);
+ }
+
+private:
+ std::vector<LoadVulcanCalFile *> loadAlgPtrs;
+
+ const int numberOfIterations = 1;
+
+ const std::string offsetfilename = "pid_offset_vulcan_new.dat";
+ const std::string outWSName = "vulcan_cal_file_ws";
+ const std::string effectiveDFCs = "16372.601900,16376.951300,16372.096300,"
+ "16336.622200, 16340.822400,16338.777300";
+ const std::string effective2Thetas =
+ "90.091000,90.122000,90.089000,89.837000,89.867000,89.852000";
+
+ LoadVulcanCalFile *setupAlg() {
+ LoadVulcanCalFile *loader = new LoadVulcanCalFile;
+ loader->initialize();
+ loader->isInitialized();
+ loader->setPropertyValue("OffsetFilename", offsetfilename);
+ loader->setPropertyValue("WorkspaceName", outWSName);
+ loader->setPropertyValue("OffsetFilename", offsetfilename);
+ loader->setPropertyValue("Grouping", "6Modules");
+ loader->setPropertyValue("WorkspaceName", outWSName);
+ loader->setPropertyValue("BankIDs", "21,22,23,26,27,28");
+ loader->setPropertyValue("EffectiveDIFCs", effectiveDFCs);
+ loader->setPropertyValue("Effective2Thetas", effective2Thetas);
+ loader->setRethrows(true);
+
+ return loader;
+ }
+};
#endif /* MANTID_DATAHANDLING_LOCALVULCANCALFILETEST_H_ */
diff --git a/Framework/DataHandling/test/RawFileInfoTest.h b/Framework/DataHandling/test/RawFileInfoTest.h
index 0afcdc16157ced33ed28bd38505532737f07617d..8e89cb93107b1014a72f9a81b261196a69f7645a 100644
--- a/Framework/DataHandling/test/RawFileInfoTest.h
+++ b/Framework/DataHandling/test/RawFileInfoTest.h
@@ -21,9 +21,11 @@ public:
void testGetRunParameters() { runTest(true); }
+ void testGetSampleParameters() { runTest(false, true); }
+
private:
// Check the parameters are correct
- void runTest(bool tableToExist) {
+ void runTest(bool tableToExist, bool getSampleParameters = false) {
RawFileInfo alg;
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT_EQUALS(alg.isInitialized(), true);
@@ -34,6 +36,10 @@ private:
alg.setPropertyValue("GetRunParameters", "1");
}
+ if (getSampleParameters) {
+ alg.setPropertyValue("GetSampleParameters", "1");
+ }
+
TS_ASSERT_THROWS_NOTHING(alg.execute());
TS_ASSERT_EQUALS(alg.isExecuted(), true);
@@ -83,6 +89,39 @@ private:
// Tidy up
Mantid::API::AnalysisDataService::Instance().remove("Raw_RPB");
}
+
+ if (getSampleParameters) {
+ Mantid::API::Workspace_sptr workspace =
+ Mantid::API::AnalysisDataService::Instance().retrieve("Raw_SPB");
+ TS_ASSERT(workspace.get());
+
+ Mantid::API::ITableWorkspace_sptr sample_table =
+ boost::dynamic_pointer_cast<Mantid::API::ITableWorkspace>(workspace);
+ TS_ASSERT(sample_table.get());
+
+ // Sample type
+ int e_type = sample_table->getRef<int>("e_type", 0);
+ TS_ASSERT_EQUALS(e_type, 1);
+
+ // Sample geometry
+ int e_geom = sample_table->getRef<int>("e_geom", 0);
+ TS_ASSERT_EQUALS(e_geom, 3);
+
+ // Sample thickness
+ double e_thick = sample_table->getRef<double>("e_thick", 0);
+ TS_ASSERT_EQUALS(e_thick, 2.);
+
+ // Sample height
+ double e_height = sample_table->getRef<double>("e_height", 0);
+ TS_ASSERT_EQUALS(e_height, 8.);
+
+ // Sample width
+ double e_width = sample_table->getRef<double>("e_width", 0);
+ TS_ASSERT_EQUALS(e_width, 8.);
+
+ // Tidy up
+ Mantid::API::AnalysisDataService::Instance().remove("Raw_SPB");
+ }
}
private:
diff --git a/Framework/DataHandling/test/RotateInstrumentComponentTest.h b/Framework/DataHandling/test/RotateInstrumentComponentTest.h
index 315b38ae7068eeb47ecd40411bec2d52621b8f52..b551321676c41f290a1e616225b34afa106e004b 100644
--- a/Framework/DataHandling/test/RotateInstrumentComponentTest.h
+++ b/Framework/DataHandling/test/RotateInstrumentComponentTest.h
@@ -4,6 +4,7 @@
#include <cxxtest/TestSuite.h>
#include "MantidDataHandling/RotateInstrumentComponent.h"
+#include "MantidAPI/SpectrumInfo.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -38,9 +39,10 @@ public:
testWS = runRotateInstrument(testWS, "pixel-0)", angle, axis,
false); // Detector 1
- auto detId1 = testWS->getDetector(0);
+ const auto &spectrumInfo = testWS->spectrumInfo();
+ const auto &detId1 = spectrumInfo.detector(0);
auto expectedRot = Mantid::Kernel::Quat(angle, axis);
- auto newRot = detId1->getRotation();
+ auto newRot = detId1.getRotation();
TS_ASSERT_DELTA(newRot.real(), expectedRot.real(), 1e-12);
TS_ASSERT_DELTA(newRot.imagI(), expectedRot.imagI(), 1e-12);
TS_ASSERT_DELTA(newRot.imagJ(), expectedRot.imagJ(), 1e-12);
@@ -66,8 +68,9 @@ public:
auto expectedRot = Mantid::Kernel::Quat(angle, axis);
expectedRot *= expectedRot;
- auto detId1 = testWS->getDetector(0);
- auto newRot = detId1->getRotation();
+ const auto &spectrumInfo = testWS->spectrumInfo();
+ const auto &detId1 = spectrumInfo.detector(0);
+ const auto &newRot = detId1.getRotation();
TS_ASSERT_DELTA(newRot.real(), expectedRot.real(), 1e-12);
TS_ASSERT_DELTA(newRot.imagI(), expectedRot.imagI(), 1e-12);
diff --git a/Framework/DataHandling/test/SaveAscii2Test.h b/Framework/DataHandling/test/SaveAscii2Test.h
index 03e2a3f19a1dc3c87a1742a4a05e688d33c7714c..c3b86dacfdcae0ec544d1986597514b49bbdb5f2 100644
--- a/Framework/DataHandling/test/SaveAscii2Test.h
+++ b/Framework/DataHandling/test/SaveAscii2Test.h
@@ -504,6 +504,9 @@ public:
SaveAscii2 save;
std::string filename = initSaveAscii2(save);
+ if (Poco::File(filename).exists())
+ Poco::File(filename).remove();
+
TS_ASSERT_THROWS_NOTHING(save.setPropertyValue("WorkspaceIndexMin", "3"));
TS_ASSERT_THROWS_NOTHING(save.setPropertyValue("WorkspaceIndexMax", "2"));
@@ -550,6 +553,65 @@ public:
AnalysisDataService::Instance().remove(m_name);
}
+ void test_valid_SpectrumList() {
+ Mantid::DataObjects::Workspace2D_sptr wsToSave;
+ writeSampleWS(wsToSave);
+
+ SaveAscii2 save;
+ std::string filename = initSaveAscii2(save);
+
+ TS_ASSERT_THROWS_NOTHING(save.setPropertyValue("SpectrumList", "1"));
+
+ TS_ASSERT_THROWS_NOTHING(save.execute());
+
+ // the algorithm shouldn't have written a file to disk
+ TS_ASSERT(Poco::File(filename).exists());
+
+ // Now make some checks on the content of the file
+ std::ifstream in(filename.c_str());
+ int specID;
+ std::string header1, header2, header3, separator, comment;
+ // Test that the first few column headers, separator and first two bins are
+ // as expected
+ in >> comment >> header1 >> separator >> header2 >> separator >> header3 >>
+ specID;
+ TS_ASSERT_EQUALS(specID, 2);
+ TS_ASSERT_EQUALS(comment, "#");
+ TS_ASSERT_EQUALS(separator, ",");
+ TS_ASSERT_EQUALS(header1, "X");
+ TS_ASSERT_EQUALS(header2, "Y");
+ TS_ASSERT_EQUALS(header3, "E");
+
+ std::string binlines;
+ std::vector<std::string> binstr;
+ std::vector<double> bins;
+ std::getline(in, binlines);
+ std::getline(in, binlines);
+
+ boost::split(binstr, binlines, boost::is_any_of(","));
+ for (size_t i = 0; i < binstr.size(); i++) {
+ bins.push_back(boost::lexical_cast<double>(binstr.at(i)));
+ }
+ TS_ASSERT_EQUALS(bins[0], 0);
+ TS_ASSERT_EQUALS(bins[1], 4);
+ TS_ASSERT_EQUALS(bins[2], 1);
+
+ std::getline(in, binlines);
+ bins.clear();
+ boost::split(binstr, binlines, boost::is_any_of(","));
+ for (size_t i = 0; i < binstr.size(); i++) {
+ bins.push_back(boost::lexical_cast<double>(binstr.at(i)));
+ }
+ TS_ASSERT_EQUALS(bins[0], 1.66667);
+ TS_ASSERT_EQUALS(bins[1], 17.3333);
+ TS_ASSERT_EQUALS(bins[2], 1);
+
+ in.close();
+
+ Poco::File(filename).remove();
+ AnalysisDataService::Instance().remove(m_name);
+ }
+
void test_fail_invalid_Precision() {
Mantid::DataObjects::Workspace2D_sptr wsToSave;
writeSampleWS(wsToSave);
@@ -811,4 +873,61 @@ private:
std::string m_name;
};
+class SaveAscii2TestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ createInelasticWS();
+ for (int i = 0; i < numberOfIterations; ++i) {
+ saveAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testSaveAscii2Performance() {
+ for (auto alg : saveAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete saveAlgPtrs[i];
+ saveAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(m_name);
+ Poco::File gsasfile(m_filename);
+ if (gsasfile.exists())
+ gsasfile.remove();
+ }
+
+private:
+ std::vector<SaveAscii2 *> saveAlgPtrs;
+
+ const int numberOfIterations = 5;
+
+ const std::string m_filename = "performance_filename";
+ const std::string m_name = "performance_ws";
+
+ SaveAscii2 *setupAlg() {
+ SaveAscii2 *saver = new SaveAscii2;
+ saver->initialize();
+ saver->isInitialized();
+ saver->initialize();
+ saver->isInitialized();
+ saver->setPropertyValue("Filename", m_filename);
+ saver->setPropertyValue("InputWorkspace", m_name);
+ saver->setRethrows(true);
+ return saver;
+ }
+
+ void createInelasticWS() {
+ const std::vector<double> l2{1, 2, 3, 4, 5};
+ const std::vector<double> polar{1, 2, 3, 4, 5};
+ const std::vector<double> azimutal{1, 2, 3, 4, 5};
+ const int nBins = 3;
+
+ auto wsToSave = WorkspaceCreationHelper::createProcessedInelasticWS(
+ l2, polar, azimutal, nBins);
+ AnalysisDataService::Instance().add(m_name, wsToSave);
+ }
+};
#endif /*SAVEASCIITEST_H_*/
diff --git a/Framework/DataHandling/test/SaveFocusedXYETest.h b/Framework/DataHandling/test/SaveFocusedXYETest.h
index 3a05679d9ee6eed11fd90bce378de25446fb7dcd..61891edac1342e6f7b3c6b4d2f8346833f7699d7 100644
--- a/Framework/DataHandling/test/SaveFocusedXYETest.h
+++ b/Framework/DataHandling/test/SaveFocusedXYETest.h
@@ -453,4 +453,54 @@ private:
const double m_tol;
};
+class SaveFocusedXYETestPerformance : public CxxTest::TestSuite {
+public:
+ void setUp() override {
+ // Create a workspace for writing out
+ Mantid::API::MatrixWorkspace_sptr dataws =
+ WorkspaceCreationHelper::create2DWorkspaceBinned(1, 3, 1.0, 1.0);
+
+ Mantid::API::AnalysisDataService::Instance().addOrReplace(m_wsName, dataws);
+
+ for (int i = 0; i < numberOfIterations; ++i) {
+ saveAlgPtrs.emplace_back(setupAlg());
+ }
+ }
+
+ void testSaveFocusedPerformance() {
+ for (auto alg : saveAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
+ }
+
+ void tearDown() override {
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete saveAlgPtrs[i];
+ saveAlgPtrs[i] = nullptr;
+ }
+ Mantid::API::AnalysisDataService::Instance().remove(m_wsName);
+ Poco::File focusedFile(m_filename);
+ if (focusedFile.exists())
+ focusedFile.remove();
+ }
+
+private:
+ std::vector<Mantid::DataHandling::SaveFocusedXYE *> saveAlgPtrs;
+
+ const int numberOfIterations = 5;
+
+ const std::string m_wsName = "SaveFocusedXYETestPerformance";
+ const std::string m_filename = "test_performance.txt";
+
+ Mantid::DataHandling::SaveFocusedXYE *setupAlg() {
+ Mantid::DataHandling::SaveFocusedXYE *saver =
+ new Mantid::DataHandling::SaveFocusedXYE;
+ saver->initialize();
+ saver->setPropertyValue("InputWorkspace", m_wsName);
+ saver->setProperty("Filename", m_filename);
+ saver->setRethrows(true);
+ return saver;
+ }
+};
+
#endif // SAVEFOCUSEDXYETEST_H_
diff --git a/Framework/DataHandling/test/SaveGSSTest.h b/Framework/DataHandling/test/SaveGSSTest.h
index 5d2e24bb153cabd9b1bb430432f4884b4ae6283f..8c9d400bdc4e009ecf076ca318e3210469b5980a 100644
--- a/Framework/DataHandling/test/SaveGSSTest.h
+++ b/Framework/DataHandling/test/SaveGSSTest.h
@@ -1,13 +1,13 @@
#ifndef SAVEGSSTEST_H_
#define SAVEGSSTEST_H_
-#include "cxxtest/TestSuite.h"
-#include "MantidDataHandling/SaveGSS.h"
-#include "MantidAPI/Axis.h"
#include "MantidAPI/AlgorithmManager.h"
+#include "MantidAPI/Axis.h"
#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+#include "MantidDataHandling/SaveGSS.h"
#include "MantidGeometry/Instrument.h"
+#include "MantidTestHelpers/WorkspaceCreationHelper.h"
+#include "cxxtest/TestSuite.h"
#include <Poco/File.h>
#include <fstream>
@@ -19,6 +19,49 @@ using namespace Mantid::Geometry;
using namespace Mantid::Kernel;
using Mantid::DataHandling::SaveGSS;
+namespace {
+//----------------------------------------------------------------------------------------------
+/** Generate a matrix workspace for writing to gsas file
+*/
+API::MatrixWorkspace_sptr generateTestMatrixWorkspace() {
+ // Create workspace
+ MatrixWorkspace_sptr dataws = boost::dynamic_pointer_cast<MatrixWorkspace>(
+ WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(
+ 2, 100, false, false, true, "TestFake"));
+ dataws->getAxis(0)->setUnit("TOF");
+
+ // Set data with logarithm bin
+ double t0 = 5000.;
+ double dt = 0.01;
+ size_t numhist = dataws->getNumberHistograms();
+ for (size_t iws = 0; iws < numhist; ++iws) {
+ auto &dataX = dataws->mutableX(iws);
+ dataX[0] = t0;
+ for (size_t i = 1; i < dataX.size(); ++i)
+ dataX[i] = (1 + dt) * dataX[i - 1];
+ }
+
+ // Set y and e
+ for (size_t iws = 0; iws < numhist; ++iws) {
+ const MantidVec &vecX = dataws->readX(iws);
+ auto &dataY = dataws->mutableY(iws);
+ auto &dataE = dataws->mutableE(iws);
+ double factor = (static_cast<double>(iws) + 1) * 1000.;
+ for (size_t i = 0; i < dataY.size(); ++i) {
+ dataY[i] = factor * std::exp(-(vecX[i] - 7000. - factor) *
+ (vecX[i] - 7000. - factor) /
+ (0.01 * factor * factor));
+ if (dataY[i] < 0.01)
+ dataE[i] = 0.1;
+ else
+ dataE[i] = std::sqrt(dataY[i]);
+ }
+ }
+
+ return dataws;
+}
+}
+
class SaveGSSTest : public CxxTest::TestSuite {
public:
void test_TheBasics() {
@@ -328,82 +371,45 @@ public:
void setUp() override {
// Create a workspace for writing out
MatrixWorkspace_sptr dataws = generateTestMatrixWorkspace();
- AnalysisDataService::Instance().addOrReplace("Test2BankWS", dataws);
+ AnalysisDataService::Instance().addOrReplace(wsName, dataws);
- // Set properties
- m_alg.initialize();
- m_alg.setRethrows(true);
-
- m_alg.setPropertyValue("InputWorkspace", "Test2BankWS");
- m_alg.setProperty("Filename", m_outFileName);
- m_alg.setProperty("Format", "SLOG");
- m_alg.setProperty("SplitFiles", false);
- m_alg.setProperty("MultiplyByBinWidth", false);
- m_alg.setProperty("Append", false);
+ for (int i = 0; i < numberOfIterations; ++i) {
+ saveAlgPtrs.emplace_back(setupAlg());
+ }
}
void testSaveGSSPerformance() {
- // Execute
- m_alg.execute();
- TS_ASSERT(m_alg.isExecuted());
+ for (auto alg : saveAlgPtrs) {
+ TS_ASSERT_THROWS_NOTHING(alg->execute());
+ }
}
void tearDown() override {
- // Clean
- std::string outfilepath = m_alg.getPropertyValue("Filename");
-
- Poco::File gsasfile(outfilepath);
- AnalysisDataService::Instance().remove("Test2BankWS");
-
- if (gsasfile.exists()) {
- gsasfile.remove();
+ for (int i = 0; i < numberOfIterations; i++) {
+ delete saveAlgPtrs[i];
+ saveAlgPtrs[i] = nullptr;
}
+ Mantid::API::AnalysisDataService::Instance().remove(wsName);
+ Poco::File gsasfile(filename);
+ if (gsasfile.exists())
+ gsasfile.remove();
}
private:
- DataHandling::SaveGSS m_alg;
-
- const int m_numberOfBinsToSave =
- 100000; // Controls the speed of the performance test
- const std::string m_outFileName = "test1.gsas";
-
- API::MatrixWorkspace_sptr generateTestMatrixWorkspace() {
- // Create workspace
- auto dataws = boost::dynamic_pointer_cast<MatrixWorkspace>(
- WorkspaceCreationHelper::create2DWorkspaceWithFullInstrument(
- 2, m_numberOfBinsToSave, false, false, true, "TestFake"));
-
- dataws->getAxis(0)->setUnit("TOF");
+ std::vector<SaveGSS *> saveAlgPtrs;
- // Set data with logarithm bin
- const double t0 = 5000.;
- const double dt = 0.01;
- const size_t numhist = dataws->getNumberHistograms();
- for (size_t iws = 0; iws < numhist; ++iws) {
- auto &mutableXVals = dataws->mutableX(iws);
- mutableXVals[0] = t0;
- for (size_t i = 1; i < mutableXVals.size(); ++i)
- mutableXVals[i] = (1 + dt) * mutableXVals[i - 1];
- }
+ const int numberOfIterations = 5;
- // Set y and e
- for (size_t iws = 0; iws < numhist; ++iws) {
- const auto &xVals = dataws->x(iws);
- auto &mutableYVals = dataws->mutableY(iws);
- auto &mutableEVals = dataws->mutableE(iws);
- double factor = (static_cast<double>(iws) + 1) * 1000.;
- for (size_t i = 0; i < mutableYVals.size(); ++i) {
- mutableYVals[i] = factor * std::exp(-(xVals[i] - 7000. - factor) *
- (xVals[i] - 7000. - factor) /
- (0.01 * factor * factor));
- if (mutableYVals[i] < 0.01)
- mutableEVals[i] = 0.1;
- else
- mutableEVals[i] = std::sqrt(mutableYVals[i]);
- }
- }
+ const std::string wsName = "Test2BankWS";
+ const std::string filename = "test_performance.gsa";
- return dataws;
+ SaveGSS *setupAlg() {
+ SaveGSS *saver = new SaveGSS;
+ saver->initialize();
+ saver->setPropertyValue("InputWorkspace", wsName);
+ saver->setProperty("Filename", filename);
+ saver->setRethrows(true);
+ return saver;
}
};
diff --git a/Framework/Geometry/src/Instrument/ComponentHelper.cpp b/Framework/Geometry/src/Instrument/ComponentHelper.cpp
index 7c9b75afdddd03f5d6c738341beedaf4212d72d2..23464696466a9c55bcd5f345a5315f5a72fffa5c 100644
--- a/Framework/Geometry/src/Instrument/ComponentHelper.cpp
+++ b/Framework/Geometry/src/Instrument/ComponentHelper.cpp
@@ -78,9 +78,9 @@ void rotateComponent(const IComponent &comp, ParameterMap &pmap,
// Find the corresponding relative position
auto parent = comp.getParent();
if (parent) {
- Quat rot0 = parent->getRelativeRot();
+ Quat rot0 = parent->getRotation();
rot0.inverse();
- newRot = rot * rot0;
+ newRot = rot0 * rot;
}
} else if (rotType == Relative) {
const Quat &Rot0 = comp.getRelativeRot();
diff --git a/Framework/Geometry/test/ComponentHelperTest.h b/Framework/Geometry/test/ComponentHelperTest.h
index 54a01574d2820e3d539da5e1a03c09b50411b31f..42385af80405780142ac5c5525060c9fbb35e21f 100644
--- a/Framework/Geometry/test/ComponentHelperTest.h
+++ b/Framework/Geometry/test/ComponentHelperTest.h
@@ -8,6 +8,9 @@
#include <boost/make_shared.hpp>
+using namespace Mantid::Kernel;
+using namespace Mantid::Geometry;
+
class ComponentHelperTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
@@ -107,6 +110,59 @@ public:
TS_ASSERT_DELTA(newRot.imagK(), expectedRot.imagK(), 1e-12);
}
+ void test_absolute_planar_rotation_takes_into_account_grandparent() {
+ const int banks = 1;
+ const int pixels = 1;
+ auto base =
+ ComponentCreationHelper::createTestInstrumentRectangular(banks, pixels);
+ auto pmap = boost::make_shared<ParameterMap>();
+ Instrument instrument(base, pmap);
+
+ const auto bank = instrument.getComponentByName("bank1");
+ const auto pixel = instrument.getDetector(1);
+
+ Quat rootRot(100.0, V3D(1, 2, 3));
+ Quat bankRot(110.0, V3D(1, 2, 3));
+ Quat pixelRot(111.0, V3D(1, 2, 3));
+
+ const auto type = ComponentHelper::TransformType::Absolute;
+ ComponentHelper::rotateComponent(instrument, *pmap, rootRot, type);
+ TS_ASSERT_EQUALS(instrument.getRotation(), rootRot);
+ TS_ASSERT_EQUALS(bank->getRotation(), rootRot);
+ TS_ASSERT_EQUALS(pixel->getRotation(), rootRot);
+ ComponentHelper::rotateComponent(*bank, *pmap, bankRot, type);
+ TS_ASSERT_EQUALS(instrument.getRotation(), rootRot);
+ TS_ASSERT_EQUALS(bank->getRotation(), bankRot);
+ TS_ASSERT_EQUALS(pixel->getRotation(), bankRot);
+ ComponentHelper::rotateComponent(*pixel, *pmap, pixelRot, type);
+ TS_ASSERT_EQUALS(instrument.getRotation(), rootRot);
+ TS_ASSERT_EQUALS(bank->getRotation(), bankRot);
+ TS_ASSERT_EQUALS(pixel->getRotation(), pixelRot);
+ }
+
+ void test_absolute_rotation_takes_into_account_parent_correctly() {
+ const int banks = 1;
+ const int pixels = 1;
+ auto base =
+ ComponentCreationHelper::createTestInstrumentRectangular(banks, pixels);
+ auto pmap = boost::make_shared<ParameterMap>();
+ Instrument instrument(base, pmap);
+
+ const auto bank = instrument.getComponentByName("bank1");
+ const auto pixel = instrument.getDetector(1);
+
+ Quat bankRot(10.0, V3D(1, 0, 0));
+ Quat pixelRot(20.0, V3D(0, 1, 0));
+
+ const auto type = ComponentHelper::TransformType::Absolute;
+ ComponentHelper::rotateComponent(*bank, *pmap, bankRot, type);
+ TS_ASSERT_EQUALS(bank->getRotation(), bankRot);
+ TS_ASSERT_EQUALS(pixel->getRotation(), bankRot);
+ ComponentHelper::rotateComponent(*pixel, *pmap, pixelRot, type);
+ TS_ASSERT_EQUALS(bank->getRotation(), bankRot);
+ TS_ASSERT_EQUALS(pixel->getRotation(), pixelRot);
+ }
+
private:
Mantid::Geometry::Instrument_sptr createTestInstrument() {
using namespace Mantid::Geometry;
diff --git a/Framework/Kernel/inc/MantidKernel/ConfigService.h b/Framework/Kernel/inc/MantidKernel/ConfigService.h
index b708018a9666aca3df2e7c7a89b3a8665e54f256..099cdaf525aca09fa98d3b3b889c0e454eaeb0d8 100644
--- a/Framework/Kernel/inc/MantidKernel/ConfigService.h
+++ b/Framework/Kernel/inc/MantidKernel/ConfigService.h
@@ -207,6 +207,8 @@ public:
void appendDataSearchSubDir(const std::string &subdir);
/// Get the list of user search paths
const std::vector<std::string> &getUserSearchDirs() const;
+ /// Sets instrument directories
+ void setInstrumentDirectories(const std::vector<std::string> &directories);
/// Get instrument search directory
const std::vector<std::string> &getInstrumentDirectories() const;
/// Get instrument search directory
diff --git a/Framework/Kernel/src/ConfigService.cpp b/Framework/Kernel/src/ConfigService.cpp
index 536695f89a5197c7d5fe0aee9b469cf9b7169404..e60311f488d1aaeebbafa679bf0f5a42221e5dc4 100644
--- a/Framework/Kernel/src/ConfigService.cpp
+++ b/Framework/Kernel/src/ConfigService.cpp
@@ -301,7 +301,7 @@ void ConfigServiceImpl::setBaseDirectory() {
// code crash.
m_strBaseDir = Poco::Environment::get("MANTIDPATH") + "/";
f = Poco::File(m_strBaseDir + m_properties_file_name);
- if (!f.exists())
+ if (f.exists())
return;
}
@@ -1621,6 +1621,15 @@ const std::vector<std::string> &ConfigServiceImpl::getUserSearchDirs() const {
return m_UserSearchDirs;
}
+/**
+* Sets the search directories for XML instrument definition files (IDFs)
+* @param directories An ordered list of paths for instrument searching
+*/
+void ConfigServiceImpl::setInstrumentDirectories(
+ const std::vector<std::string> &directories) {
+ m_InstrumentDirs = directories;
+}
+
/**
* Return the search directories for XML instrument definition files (IDFs)
* @returns An ordered list of paths for instrument searching
diff --git a/Framework/Kernel/src/TimeSeriesProperty.cpp b/Framework/Kernel/src/TimeSeriesProperty.cpp
index 898f13ed8f974d08c7590adb9254d66855c0cc4c..95c5a3b7573ad3dd9b93be803285264880a4317b 100644
--- a/Framework/Kernel/src/TimeSeriesProperty.cpp
+++ b/Framework/Kernel/src/TimeSeriesProperty.cpp
@@ -173,18 +173,17 @@ operator==(const TimeSeriesProperty<TYPE> &right) const {
return false;
}
- { // so vectors can go out of scope
- std::vector<DateAndTime> lhsTimes = this->timesAsVector();
- std::vector<DateAndTime> rhsTimes = right.timesAsVector();
+ if (this->realSize() != right.realSize()) {
+ return false;
+ } else {
+ const std::vector<DateAndTime> lhsTimes = this->timesAsVector();
+ const std::vector<DateAndTime> rhsTimes = right.timesAsVector();
if (!std::equal(lhsTimes.begin(), lhsTimes.end(), rhsTimes.begin())) {
return false;
}
- }
- {
- // so vectors can go out of scope
- std::vector<TYPE> lhsValues = this->valuesAsVector();
- std::vector<TYPE> rhsValues = right.valuesAsVector();
+ const std::vector<TYPE> lhsValues = this->valuesAsVector();
+ const std::vector<TYPE> rhsValues = right.valuesAsVector();
if (!std::equal(lhsValues.begin(), lhsValues.end(), rhsValues.begin())) {
return false;
}
diff --git a/Framework/Kernel/test/ConfigServiceTest.h b/Framework/Kernel/test/ConfigServiceTest.h
index 23be7d676b5a843a91d613fd410ae6571cedb227..bd2f247a1d1eff08e9611e0b2da34383334f0d39 100644
--- a/Framework/Kernel/test/ConfigServiceTest.h
+++ b/Framework/Kernel/test/ConfigServiceTest.h
@@ -358,6 +358,26 @@ public:
}
}
+ void TestSetInstrumentDirectory() {
+
+ auto originalDirectories =
+ ConfigService::Instance().getInstrumentDirectories();
+ std::vector<std::string> testDirectories;
+ testDirectories.push_back("Test Directory 1");
+ testDirectories.push_back("Test Directory 2");
+ ConfigService::Instance().setInstrumentDirectories(testDirectories);
+ auto readDirectories = ConfigService::Instance().getInstrumentDirectories();
+ TS_ASSERT_EQUALS(readDirectories.size(), testDirectories.size());
+ TS_ASSERT_EQUALS(readDirectories[0], testDirectories[0]);
+ TS_ASSERT_EQUALS(readDirectories[1], testDirectories[1]);
+
+ // Restore original settings
+ ConfigService::Instance().setInstrumentDirectories(originalDirectories);
+ readDirectories = ConfigService::Instance().getInstrumentDirectories();
+ TS_ASSERT_EQUALS(readDirectories.size(), originalDirectories.size());
+ TS_ASSERT_EQUALS(readDirectories[0], originalDirectories[0]);
+ }
+
void TestCustomProperty() {
std::string countString =
ConfigService::Instance().getString("algorithms.retained");
diff --git a/Framework/Kernel/test/TimeSeriesPropertyTest.h b/Framework/Kernel/test/TimeSeriesPropertyTest.h
index 764ce1f79f96072e80baf172fc774132e52ce6b5..41036cfa2cf8a88ea4856f78398570929b36efa4 100644
--- a/Framework/Kernel/test/TimeSeriesPropertyTest.h
+++ b/Framework/Kernel/test/TimeSeriesPropertyTest.h
@@ -271,6 +271,39 @@ public:
delete log;
}
+ void test_ComparisonOperator() {
+ // Setup two logs and two filters so that logs have different sizes but are
+ // the same size after applying the filter
+
+ TimeSeriesProperty<int> *log1 = new TimeSeriesProperty<int>("count_rate");
+ log1->addValue("2016-03-17T00:00:00", 1);
+ log1->addValue("2016-03-17T00:30:00", 2);
+ log1->addValue("2016-03-17T01:00:00", 3);
+ log1->addValue("2016-03-17T01:30:00", 4);
+ log1->addValue("2016-03-17T02:00:00", 5);
+ TimeSeriesProperty<bool> *filter1 = new TimeSeriesProperty<bool>("filter");
+ filter1->addValue("2016-Mar-17T00:00:00", 1);
+ filter1->addValue("2016-Mar-17T01:00:00", 0);
+ log1->filterWith(filter1);
+
+ TimeSeriesProperty<int> *log2 = new TimeSeriesProperty<int>("count_rate");
+ log2->addValue("2016-03-17T03:00:00", 1);
+ log2->addValue("2016-03-17T04:00:00", 2);
+ log2->addValue("2016-03-17T05:00:00", 3);
+ log2->addValue("2016-03-17T06:00:0", 4);
+ TimeSeriesProperty<bool> *filter2 = new TimeSeriesProperty<bool>("filter");
+ filter2->addValue("2016-Mar-17T03:00:00", 1);
+ filter2->addValue("2016-Mar-17T05:00:00", 0);
+ log2->filterWith(filter2);
+
+ TS_ASSERT(!(*log1 == *log2));
+
+ delete log1;
+ delete log2;
+ delete filter1;
+ delete filter2;
+ }
+
//----------------------------------------------------------------------------
void test_filterByTime() {
TimeSeriesProperty<int> *log = createIntegerTSP(6);
diff --git a/Framework/LiveData/src/SNSLiveEventDataListener.cpp b/Framework/LiveData/src/SNSLiveEventDataListener.cpp
index 232f046613cb9c065c85a53b796d6ca54a740c5b..69145950cbfc9d643c56c96064a75ddf46c0fbe5 100644
--- a/Framework/LiveData/src/SNSLiveEventDataListener.cpp
+++ b/Framework/LiveData/src/SNSLiveEventDataListener.cpp
@@ -1229,6 +1229,7 @@ void SNSLiveEventDataListener::initWorkspacePart1() {
prop = new TimeSeriesProperty<int>(SCAN_PROPERTY);
m_eventBuffer->mutableRun().addLogData(prop);
prop = new TimeSeriesProperty<double>(PROTON_CHARGE_PROPERTY);
+ prop->setUnits("picoCoulomb");
m_eventBuffer->mutableRun().addLogData(prop);
}
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadILLAscii.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadILLAscii.h
index 3cfc72e43da568b517909f7595ef5b12b356062f..d1dc0da6ae1b948f47cc6ce593a6b4ef2ce72af1 100644
--- a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadILLAscii.h
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadILLAscii.h
@@ -62,7 +62,6 @@ private:
void setWorkspaceRotationAngle(API::MatrixWorkspace_sptr,
double rotationAngle);
- // LoadHelper m_loader;
std::string m_instrumentName; ///< Name of the instrument
double m_wavelength = 0;
std::vector<std::string> m_supportedInstruments{"D2B"};
diff --git a/Framework/MDAlgorithms/src/ConvToMDHistoWS.cpp b/Framework/MDAlgorithms/src/ConvToMDHistoWS.cpp
index 9cc4ee156148ad36069f4c12720aaddc503d4b7f..9dfadf05424aff4fda1557153710053670d8ea39 100644
--- a/Framework/MDAlgorithms/src/ConvToMDHistoWS.cpp
+++ b/Framework/MDAlgorithms/src/ConvToMDHistoWS.cpp
@@ -80,9 +80,9 @@ size_t ConvToMDHistoWS::conversionChunk(size_t startSpectra) {
size_t iSpctr = m_detIDMap[i];
int32_t det_id = m_detID[i];
- const MantidVec &X = m_InWS2D->readX(iSpctr);
- const MantidVec &Signal = m_InWS2D->readY(iSpctr);
- const MantidVec &Error = m_InWS2D->readE(iSpctr);
+ const auto &X = m_InWS2D->x(iSpctr);
+ const auto &Signal = m_InWS2D->y(iSpctr);
+ const auto &Error = m_InWS2D->e(iSpctr);
// calculate the coordinates which depend on detector posision
if (!m_QConverter->calcYDepCoordinates(locCoord, i))
diff --git a/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp b/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
index 90ae773d298f5e1cddf3439d646b2fd9f40e0e71..c19312f292d6a19a36584d0ae245294a7b1ac901 100644
--- a/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
+++ b/Framework/MDAlgorithms/src/ConvertCWSDExpToMomentum.cpp
@@ -39,6 +39,9 @@ void ConvertCWSDExpToMomentum::init() {
Direction::Input),
"Name of table workspace for data file names in the experiment.");
+ declareProperty(make_unique<FileProperty>(
+ "InstrumentFilename", "", FileProperty::OptionalLoad, ".xml"));
+
declareProperty(
"DetectorSampleDistanceShift", 0.0,
"Amount of shift in sample-detector distance from 0.3750 meter.");
@@ -618,6 +621,13 @@ ConvertCWSDExpToMomentum::loadSpiceData(const std::string &filename,
loader->setProperty("DetectorCenterXShift", m_detXShift);
loader->setProperty("DetectorCenterYShift", m_detYShift);
+ // TODO/FIXME - This is not a nice solution for detector geometry
+ std::string idffile = getPropertyValue("InstrumentFilename");
+ if (idffile.size() > 0) {
+ loader->setProperty("InstrumentFilename", idffile);
+ loader->setProperty("DetectorGeometry", "512, 512");
+ }
+
double wavelength = getProperty("UserDefinedWavelength");
if (wavelength != EMPTY_DBL())
diff --git a/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp b/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
index dc9b06f77d1642231fd01d03b70a95da7c237e7f..6fcc679338955edc36b5374f6b80705833c7c3cb 100644
--- a/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
+++ b/Framework/MDAlgorithms/src/ConvertMDHistoToMatrixWorkspace.cpp
@@ -8,6 +8,8 @@
#include "MantidAPI/NullCoordTransform.h"
#include "MantidAPI/NumericAxis.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidHistogramData/LinearGenerator.h"
+
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/MandatoryValidator.h"
#include "MantidKernel/Unit.h"
@@ -191,8 +193,8 @@ void ConvertMDHistoToMatrixWorkspace::make1DWorkspace() {
MatrixWorkspace_sptr outputWorkspace = WorkspaceFactory::Instance().create(
"Workspace2D", 1, line.x.size(), line.y.size());
- outputWorkspace->dataY(0).assign(line.y.begin(), line.y.end());
- outputWorkspace->dataE(0).assign(line.e.begin(), line.e.end());
+ outputWorkspace->mutableY(0) = line.y;
+ outputWorkspace->mutableE(0) = line.e;
const size_t numberTransformsToOriginal =
inputWorkspace->getNumberTransformsToOriginal();
@@ -206,7 +208,7 @@ void ConvertMDHistoToMatrixWorkspace::make1DWorkspace() {
NullDeleter());
}
- assert(line.x.size() == outputWorkspace->dataX(0).size());
+ assert(line.x.size() == outputWorkspace->x(0).size());
std::string xAxisLabel = inputWorkspace->getDimension(id)->getName();
const bool autoFind = this->getProperty("FindXAxis");
@@ -217,13 +219,16 @@ void ConvertMDHistoToMatrixWorkspace::make1DWorkspace() {
xAxisLabel);
}
+ auto &mutableXValues = outputWorkspace->mutableX(0);
+ // VMD inTargetCoord;
for (size_t i = 0; i < line.x.size(); ++i) {
// Coordinates in the workspace being plotted
VMD wsCoord = start + dir * line.x[i];
VMD inTargetCoord = transform->applyVMD(wsCoord);
- outputWorkspace->dataX(0)[i] = inTargetCoord[id];
+ mutableXValues[i] = inTargetCoord[id];
}
+ // outputWorkspace->mutableX(0) = inTargetCoord;
boost::shared_ptr<Kernel::Units::Label> labelX =
boost::dynamic_pointer_cast<Kernel::Units::Label>(
@@ -281,20 +286,15 @@ void ConvertMDHistoToMatrixWorkspace::make2DWorkspace() {
WorkspaceFactory::Instance().create("Workspace2D", ny, nx + 1, nx);
// set the x-values
- Mantid::MantidVec &X = outputWorkspace->dataX(0);
- double dx = xDim->getBinWidth();
- double x = xDim->getMinimum();
- for (auto ix = X.begin(); ix != X.end(); ++ix, x += dx) {
- *ix = x;
- }
-
- auto ptrX = outputWorkspace->refX(0);
+ const size_t xValsSize = outputWorkspace->x(0).size();
+ const double dx = xDim->getBinWidth();
+ const double minX = xDim->getMinimum();
+ outputWorkspace->setBinEdges(0, xValsSize,
+ HistogramData::LinearGenerator(minX, dx));
// set the y-values and errors
for (size_t i = 0; i < ny; ++i) {
if (i > 0)
- outputWorkspace->setX(i, ptrX);
- auto &Y = outputWorkspace->dataY(i);
- auto &E = outputWorkspace->dataE(i);
+ outputWorkspace->setSharedX(i, outputWorkspace->sharedX(0));
size_t yOffset = i * yStride;
for (size_t j = 0; j < nx; ++j) {
@@ -314,8 +314,8 @@ void ConvertMDHistoToMatrixWorkspace::make2DWorkspace() {
error *= factor;
}
}
- Y[j] = signal;
- E[j] = sqrt(error);
+ outputWorkspace->mutableY(i)[j] = signal;
+ outputWorkspace->mutableE(i)[j] = sqrt(error);
}
}
diff --git a/Framework/MDAlgorithms/src/ConvertToMD.cpp b/Framework/MDAlgorithms/src/ConvertToMD.cpp
index 7fe708222b341a2c09a3d13dbde976054e333595..649d13c78ba1c91b7f17f6f6d671ae0ec6e48f08 100644
--- a/Framework/MDAlgorithms/src/ConvertToMD.cpp
+++ b/Framework/MDAlgorithms/src/ConvertToMD.cpp
@@ -325,7 +325,8 @@ void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr &mdEventWS) const {
"boundaries \n";
// retrieve representative bin boundaries
- MantidVec binBoundaries = m_InWS2D->readX(spectra_index);
+ auto binBoundaries = m_InWS2D->x(spectra_index);
+
// check if the boundaries transformation is necessary
if (m_Convertor->getUnitConversionHelper().isUnitConverted()) {
@@ -338,7 +339,7 @@ void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr &mdEventWS) const {
UnitsConversionHelper &unitConv = m_Convertor->getUnitConversionHelper();
unitConv.updateConversion(spectra_index);
- for (double &binBoundarie : binBoundaries) {
+ for (auto &binBoundarie : binBoundaries) {
binBoundarie = unitConv.convertUnits(binBoundarie);
}
}
@@ -365,7 +366,7 @@ void ConvertToMD::copyMetaData(API::IMDEventWorkspace_sptr &mdEventWS) const {
if (nexpts > 0) {
ExperimentInfo_sptr expt =
mdEventWS->getExperimentInfo(static_cast<uint16_t>(nexpts - 1));
- expt->mutableRun().storeHistogramBinBoundaries(binBoundaries);
+ expt->mutableRun().storeHistogramBinBoundaries(binBoundaries.rawData());
expt->cacheDetectorGroupings(*mapping);
}
}
diff --git a/Framework/MDAlgorithms/test/ConvertMDHistoToMatrixWorkspaceTest.h b/Framework/MDAlgorithms/test/ConvertMDHistoToMatrixWorkspaceTest.h
index 4a5cbae59c9cd0e2d071ac18e85a8e2a33106c93..2b7fbffe45279ea489aa3354bf8ab710c36bafe5 100644
--- a/Framework/MDAlgorithms/test/ConvertMDHistoToMatrixWorkspaceTest.h
+++ b/Framework/MDAlgorithms/test/ConvertMDHistoToMatrixWorkspaceTest.h
@@ -494,4 +494,75 @@ public:
}
};
+/* Disabling clang format because the CXX parsser cannot read across multiple
+lines.
+ Clang formatting has therefore been disabled to prevent compiler errors.
+ When the parsser has been fixed (can read across multiple lines) the clang
+formatting
+can be enabled */
+
+// clang-format off
+class ConvertMDHistoToMatrixWorkspaceTestPerformance:public CxxTest::TestSuite {
+public:
+ static ConvertMDHistoToMatrixWorkspaceTestPerformance *createSuite() {
+ return new ConvertMDHistoToMatrixWorkspaceTestPerformance;
+ }
+ static void destroySuite(ConvertMDHistoToMatrixWorkspaceTestPerformance *suite) {
+ delete suite;
+ }
+//clang-format on
+ void setUp() override{
+ std::vector<size_t> nonInteger(2);
+ nonInteger[0] = 0;
+ nonInteger[1] = 1;
+ const size_t ndims = 4;
+ size_t size = 1;
+
+ // property values for CreateMDHistoWorkspace
+ std::vector<size_t> numberOfBins(ndims);
+ std::vector<std::string> names(ndims);
+ // property values for SliceMDHisto
+ std::vector<coord_t> start(ndims);
+ std::vector<coord_t> end(ndims);
+ for (size_t i = 0; i < ndims; ++i) {
+ names[i] = "x_" + boost::lexical_cast<std::string>(i);
+ if (nonInteger.end() != std::find(nonInteger.begin(), nonInteger.end(), i)) {
+ size_t nbins = 3 + i;
+ size *= nbins;
+ numberOfBins[i] = nbins;
+ // if it's a non-integrated dimension - don't slice
+ end[i] = static_cast<coord_t>(nbins);
+ } else {
+ numberOfBins[i] = 1;
+ }
+ }
+ signal_t signal(0.f), error(0.f);
+ // IMDHistoWorkspace_sptr slice =
+ auto slice = MDEventsTestHelper::makeFakeMDHistoWorkspaceGeneral(
+ ndims, signal, error, &numberOfBins.front(), &start.front(),
+ &end.front(), names);
+ alg =
+ AlgorithmManager::Instance().create("ConvertMDHistoToMatrixWorkspace");
+ alg->initialize();
+ alg->setRethrows(true);
+ alg->setChild(true);
+ alg->setProperty("InputWorkspace", slice);
+ alg->setPropertyValue("OutputWorkspace",
+ "_2"); // Not really required for child algorithm
+
+
+ }
+
+ void test_ConvertMDhistoToMatrixWorkspace() {
+
+ try {
+ alg->execute();
+ } catch (std::exception &e) {
+ TS_FAIL(e.what());
+ }
+ }
+
+private:
+ IAlgorithm_sptr alg;
+};
#endif /* CONVERTMDHISTOTOMATRIXWORKSPACETEST_H_ */
diff --git a/Framework/Nexus/src/NexusFileIO.cpp b/Framework/Nexus/src/NexusFileIO.cpp
index f14de0749c6f9bfa93f380e7517ca53f7017f006..49c114373eeeeccaea487f476d9e7eeadbf52032 100644
--- a/Framework/Nexus/src/NexusFileIO.cpp
+++ b/Framework/Nexus/src/NexusFileIO.cpp
@@ -1,7 +1,7 @@
// NexusFileIO
// @author Ronald Fowler
-#include <vector>
#include <sstream>
+#include <vector>
#ifdef _WIN32
#include <io.h>
@@ -9,18 +9,18 @@
// Maximum base file name size on modern windows systems is 260 characters
#define NAME_MAX 260
#endif /* _WIN32 */
-#include "MantidGeometry/Instrument.h"
-#include "MantidKernel/TimeSeriesProperty.h"
-#include "MantidNexus/NexusFileIO.h"
+#include "MantidAPI/NumericAxis.h"
+#include "MantidDataObjects/PeaksWorkspace.h"
+#include "MantidDataObjects/RebinnedOutput.h"
+#include "MantidDataObjects/TableWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidKernel/UnitFactory.h"
+#include "MantidGeometry/Instrument.h"
#include "MantidKernel/ArrayProperty.h"
-#include "MantidAPI/NumericAxis.h"
+#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/Unit.h"
+#include "MantidKernel/UnitFactory.h"
#include "MantidKernel/VectorHelper.h"
-#include "MantidDataObjects/TableWorkspace.h"
-#include "MantidDataObjects/PeaksWorkspace.h"
-#include "MantidDataObjects/RebinnedOutput.h"
+#include "MantidNexus/NexusFileIO.h"
#include <Poco/File.h>
#include <Poco/Path.h>
@@ -304,7 +304,7 @@ int NexusFileIO::writeNexusProcessedData2D(
const size_t nHist = localworkspace->getNumberHistograms();
if (nHist < 1)
return (2);
- const size_t nSpectBins = localworkspace->readY(0).size();
+ const size_t nSpectBins = localworkspace->y(0).size();
const size_t nSpect = spec.size();
int dims_array[2] = {static_cast<int>(nSpect), static_cast<int>(nSpectBins)};
@@ -348,7 +348,7 @@ int NexusFileIO::writeNexusProcessedData2D(
NXopendata(fileID, name.c_str());
for (size_t i = 0; i < nSpect; i++) {
int s = spec[i];
- NXputslab(fileID, localworkspace->readY(s).data(), start, asize);
+ NXputslab(fileID, localworkspace->y(s).rawData().data(), start, asize);
start[0]++;
}
if (m_progress != nullptr)
@@ -375,7 +375,7 @@ int NexusFileIO::writeNexusProcessedData2D(
start[0] = 0;
for (size_t i = 0; i < nSpect; i++) {
int s = spec[i];
- NXputslab(fileID, localworkspace->readE(s).data(), start, asize);
+ NXputslab(fileID, localworkspace->e(s).rawData().data(), start, asize);
start[0]++;
}
@@ -422,20 +422,20 @@ int NexusFileIO::writeNexusProcessedData2D(
// write X data, as single array or all values if "ragged"
if (uniformSpectra) {
- dims_array[0] = static_cast<int>(localworkspace->readX(0).size());
+ dims_array[0] = static_cast<int>(localworkspace->x(0).size());
NXmakedata(fileID, "axis1", NX_FLOAT64, 1, dims_array);
NXopendata(fileID, "axis1");
- NXputdata(fileID, localworkspace->readX(0).data());
+ NXputdata(fileID, localworkspace->x(0).rawData().data());
} else {
dims_array[0] = static_cast<int>(nSpect);
- dims_array[1] = static_cast<int>(localworkspace->readX(0).size());
+ dims_array[1] = static_cast<int>(localworkspace->x(0).size());
NXmakedata(fileID, "axis1", NX_FLOAT64, 2, dims_array);
NXopendata(fileID, "axis1");
start[0] = 0;
asize[1] = dims_array[1];
for (size_t i = 0; i < nSpect; i++) {
- NXputslab(fileID, localworkspace->readX(i).data(), start, asize);
+ NXputslab(fileID, localworkspace->x(i).rawData().data(), start, asize);
start[0]++;
}
}
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/SpectrumInfo.cpp b/Framework/PythonInterface/mantid/api/src/Exports/SpectrumInfo.cpp
index 6f5deaba3df5beac2a1a812ed628d7269dbe4c9f..fa1cfdf356e4e58e51bbb8d545cd65a422374a4b 100644
--- a/Framework/PythonInterface/mantid/api/src/Exports/SpectrumInfo.cpp
+++ b/Framework/PythonInterface/mantid/api/src/Exports/SpectrumInfo.cpp
@@ -14,5 +14,15 @@ void export_SpectrumInfo() {
"masked.")
.def("hasDetectors", &SpectrumInfo::hasDetectors, (arg("self")),
"Returns true if the spectrum is associated with detectors in the "
- "instrument.");
+ "instrument.")
+ .def("position", &SpectrumInfo::position, (arg("self"), arg("index")),
+ "Returns the position of the detector(s) associated with the "
+ "spectrum.")
+ .def("l2", &SpectrumInfo::l2, (arg("self"), arg("index")),
+ "Returns the distance from the sample of the detector(s) "
+ "associated with the spectrum.")
+ .def("phi", &SpectrumInfo::phi, (arg("self"), arg("index")),
+ "Returns phi angle of the detector(s) associated with the spectrum.")
+ .def("twoTheta", &SpectrumInfo::twoTheta, (arg("self"), arg("index")),
+ "Returns twoTheta of the detector(s) associated with the spectrum.");
}
diff --git a/Framework/PythonInterface/plugins/algorithms/GenerateGroupingSNSInelastic.py b/Framework/PythonInterface/plugins/algorithms/GenerateGroupingSNSInelastic.py
index 9a6563e7ce983e1f079a44cf09a20aaee8c315d5..d720e7c7d96370e7a3d39f41e747668059e0a65f 100644
--- a/Framework/PythonInterface/plugins/algorithms/GenerateGroupingSNSInelastic.py
+++ b/Framework/PythonInterface/plugins/algorithms/GenerateGroupingSNSInelastic.py
@@ -69,16 +69,16 @@ class GenerateGroupingSNSInelastic(mantid.api.PythonAlgorithm):
spectra = numpy.arange(numdet).reshape(-1,8,128)
- banks = numdet/8/128
+ banks = numdet//8//128
f = open(filename,'w')
f.write('<?xml version="1.0" encoding="UTF-8" ?>\n<detector-grouping instrument="'+instrument+'">\n')
groupnum = 0
- for i in numpy.arange(banks):
- for j in numpy.arange(8/pixelsx)*pixelsx:
- for k in numpy.arange(128/pixelsy)*pixelsy:
+ for i in range(banks):
+ for j in range(0,8,pixelsx):
+ for k in range(0,128,pixelsy):
groupname = str(groupnum)
ids = spectra[i, j:j+pixelsx, k:k+pixelsy].reshape(-1)
diff --git a/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py b/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
index 8e087d58bbf93ee1392b7d443c4fbcc65884a0ba..2930a4b2a5833704d1268f134b8fca1ab51de2dd 100644
--- a/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
+++ b/Framework/PythonInterface/plugins/algorithms/LoadVesuvio.py
@@ -7,6 +7,9 @@ from LoadEmptyVesuvio import LoadEmptyVesuvio
import copy
import numpy as np
+import os
+import re
+import six
RUN_PROP = "Filename"
WKSP_PROP = "OutputWorkspace"
@@ -18,6 +21,8 @@ SUM_PROP = "SumSpectra"
LOAD_MON = "LoadMonitors"
WKSP_PROP_LOAD_MON= "OutputMonitorWorkspace"
+FILENAME_RE = re.compile(r'^([0-9]+)(\.[a-zA-z]+)?$')
+
# Raw workspace names which are necessary at the moment
SUMMED_WS = "__loadraw_evs"
# Enumerate the indexes for the different foil state sums
@@ -37,7 +42,6 @@ class LoadVesuvio(LoadEmptyVesuvio):
_ws_index = None
_spectrum_no = None
foil_map = None
- _inst_prefix = None
_back_scattering = None
_load_common_called = False
_load_monitors = False
@@ -154,7 +158,9 @@ class LoadVesuvio(LoadEmptyVesuvio):
issues = {}
# Validate run number ranges
- run_str = self.getProperty(RUN_PROP).value
+ user_input = self.getProperty(RUN_PROP).value
+ run_str = os.path.basename(user_input)
+ # String could be a full file path
if "-" in run_str:
lower, upper = run_str.split("-")
issues = self._validate_range_formatting(lower, upper, RUN_PROP, issues)
@@ -316,25 +322,13 @@ class LoadVesuvio(LoadEmptyVesuvio):
"""
runs = self._get_runs()
-
all_spectra = [item for sublist in self._spectra for item in sublist]
if len(runs) > 1:
self._set_spectra_type(all_spectra[0])
self._setup_raw(all_spectra)
else:
- isis = config.getFacility("ISIS")
- inst_prefix = isis.instrument("VESUVIO").shortName()
-
- try:
- run_str = inst_prefix + runs[0] +'.raw'
- except ValueError:
- run_str = runs[0]
-
- self._raise_error_period_scatter(run_str, self._back_scattering)
- all_spectra = [item for sublist in self._spectra for item in sublist]
-
- self._load_single_run_spec_and_mon(all_spectra, run_str)
+ self._load_single_run_spec_and_mon(all_spectra, self._get_filename(runs[0]))
raw_group = mtd[SUMMED_WS]
self._nperiods = raw_group.size()
@@ -406,13 +400,33 @@ class LoadVesuvio(LoadEmptyVesuvio):
if self._sumspectra:
self._sum_all_spectra()
- ms.DeleteWorkspace(Workspace=SUMMED_WS)
+ ms.DeleteWorkspace(Workspace=SUMMED_WS, EnableLogging=_LOGGING_)
self._store_results()
self._cleanup_raw()
#----------------------------------------------------------------------------------------
+ def _get_filename(self, run_or_filename):
+ """Given a string containing either a filename/partial filename or run number find the correct
+ file prefix"""
+ isis = config.getFacility("ISIS")
+ vesuvio = isis.instrument("VESUVIO")
+ if isinstance(run_or_filename, six.integer_types):
+ run_no = run_or_filename
+ return vesuvio.filePrefix(int(run_no)) + str(run_or_filename)
+ else:
+ match = FILENAME_RE.match(run_or_filename)
+ if match:
+ run_no = match.group(1)
+ return vesuvio.filePrefix(int(run_no)) + str(run_or_filename)
+ else:
+ # Assume file is okay and give it a go with Load
+ return run_or_filename
+
+ #----------------------------------------------------------------------------------------
+
def _load_single_run_spec_and_mon(self, all_spectra, run_str):
+ self._raise_error_period_scatter(run_str, self._back_scattering)
# check if the monitor spectra are already in the spectra list
filtered_spectra = sorted([i for i in all_spectra if i <= self._mon_spectra[-1]])
mons_in_ws = False
@@ -423,13 +437,13 @@ class LoadVesuvio(LoadEmptyVesuvio):
logger.warning("LoadMonitors is true while monitor spectra are defined in the spectra list.")
logger.warning("Monitors have been loaded into the data workspace not separately.")
if mons_in_ws:
- ms.LoadRaw(Filename=run_str, OutputWorkspace=SUMMED_WS, SpectrumList=all_spectra,
- EnableLogging=_LOGGING_)
+ ms.Load(Filename=run_str, OutputWorkspace=SUMMED_WS, SpectrumList=all_spectra,
+ EnableLogging=_LOGGING_)
else:
all_spec_inc_mon = self._mon_spectra
all_spec_inc_mon.extend(all_spectra)
- ms.LoadRaw(Filename=run_str, OutputWorkspace=SUMMED_WS, SpectrumList=all_spec_inc_mon,
- LoadMonitors='Separate', EnableLogging=_LOGGING_)
+ ms.Load(Filename=run_str, OutputWorkspace=SUMMED_WS, SpectrumList=all_spec_inc_mon,
+ LoadMonitors='Separate', EnableLogging=_LOGGING_)
if self._load_monitors:
monitor_group = mtd[SUMMED_WS +'_monitors']
mon_out_name = self.getPropertyValue(WKSP_PROP) + "_monitors"
@@ -441,6 +455,7 @@ class LoadVesuvio(LoadEmptyVesuvio):
self._load_monitors_workspace = self._sum_monitors_in_group(monitor_group,
self._load_monitors_workspace)
self._raw_monitors = mtd[SUMMED_WS +'_monitors']
+
#----------------------------------------------------------------------------------------
def _load_common_inst_parameters(self):
@@ -451,7 +466,6 @@ class LoadVesuvio(LoadEmptyVesuvio):
if self._load_common_called:
return
- isis = config.getFacility("ISIS")
empty_vesuvio_ws = self._load_empty_evs()
empty_vesuvio = empty_vesuvio_ws.getInstrument()
@@ -461,7 +475,6 @@ class LoadVesuvio(LoadEmptyVesuvio):
return list(range(int(elements[0]),int(elements[1]) + 1)) # range goes x_l,x_h-1
# Attach parameters as attributes
- self._inst_prefix = isis.instrument("VESUVIO").shortName()
parnames = empty_vesuvio.getParameterNames(False)
for name in parnames:
# Irritating parameter access doesn't let you query the type
@@ -584,29 +597,25 @@ class LoadVesuvio(LoadEmptyVesuvio):
@param spectra :: The list of spectra to load
@returns a tuple of length 2 containing (main_detector_ws, monitor_ws)
"""
- isis = config.getFacility("ISIS")
- inst_prefix = isis.instrument("VESUVIO").shortName()
-
runs = self._get_runs()
self.summed_ws, self.summed_mon = "__loadraw_evs", "__loadraw_evs_monitors"
spec_inc_mon = self._mon_spectra
spec_inc_mon.extend(spectra)
for index, run in enumerate(runs):
- run = inst_prefix + str(run)
- self._raise_error_period_scatter(run, self._back_scattering)
+ filename = self._get_filename(run)
+ self._raise_error_period_scatter(filename, self._back_scattering)
if index == 0:
out_name, out_mon = SUMMED_WS, SUMMED_WS + '_monitors'
else:
out_name, out_mon = SUMMED_WS + 'tmp', SUMMED_WS + 'tmp_monitors'
# Load data
- raw_filepath = FileFinder.findRuns(run)[0]
- ms.LoadRaw(Filename=raw_filepath,
- SpectrumList=spec_inc_mon,
- OutputWorkspace=out_name,
- LoadMonitors='Separate',
- EnableLogging=_LOGGING_)
+ ms.Load(Filename=filename,
+ SpectrumList=spec_inc_mon,
+ OutputWorkspace=out_name,
+ LoadMonitors='Separate',
+ EnableLogging=_LOGGING_)
# Sum
if index > 0:
@@ -677,17 +686,19 @@ class LoadVesuvio(LoadEmptyVesuvio):
"""
Returns the runs as a list of strings
"""
- run_str = self.getProperty(RUN_PROP).value
+ # String could be a full file path
+ user_input = self.getProperty(RUN_PROP).value
+ run_str = os.path.basename(user_input)
# Load is not doing the right thing when summing. The numbers don't look correct
if "-" in run_str:
lower, upper = run_str.split("-")
# Range goes lower to up-1 but we want to include the last number
runs = list(range(int(lower), int(upper)+1))
-
elif "," in run_str:
- runs = run_str.split(",")
+ runs = run_str.split(",")
else:
- runs = [run_str]
+ # Leave it as it is
+ runs = [user_input]
return runs
diff --git a/Framework/PythonInterface/plugins/algorithms/MagnetismReflectometryReduction.py b/Framework/PythonInterface/plugins/algorithms/MagnetismReflectometryReduction.py
index 8b0e45482b0f629ac195ec8342c5cda8597a70eb..c0c64a3a3917eb2ad508537c2fdee4862ac933c8 100644
--- a/Framework/PythonInterface/plugins/algorithms/MagnetismReflectometryReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/MagnetismReflectometryReduction.py
@@ -5,6 +5,7 @@
from __future__ import (absolute_import, division, print_function)
import math
import functools
+import numpy as np
from mantid.api import *
from mantid.simpleapi import *
from mantid.kernel import *
@@ -18,6 +19,7 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
"""
number_of_pixels_x=0
number_of_pixels_y=0
+ _tof_range = None
def category(self):
""" Algorithm category """
@@ -68,19 +70,26 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
self.declareProperty(IntArrayProperty("LowResNormAxisPixelRange", [115, 210],
IntArrayLengthValidator(2), direction=Direction.Input),
"Pixel range to use in the low resolution direction of the normalizaion run")
- self.declareProperty(FloatArrayProperty("TOFRange", [0., 340000.],
+ self.declareProperty(FloatArrayProperty("TimeAxisRange", [0., 340000.],
FloatArrayLengthValidator(2), direction=Direction.Input),
- "TOF range to use")
- self.declareProperty("CutTOFRange", True,
- doc="If true, the TOF will be cropped according to the TOF range property")
+ "TOF/wavelength range to use with detector binning")
+ self.declareProperty("UseWLTimeAxis", False,
+ doc="For const-Q, if true, wavelength will be used as the time axis, otherwise TOF is used")
+ self.declareProperty("CutTimeAxis", True,
+ doc="If true, the TOF/wavelength dimension will be cropped according to the TimeAxisRange property")
+ self.declareProperty("RoundUpPixel", True, doc="If True, round up pixel position of the specular reflectivity")
self.declareProperty("SpecularPixel", 180.0, doc="Pixel position of the specular reflectivity")
self.declareProperty("QMin", 0.005, doc="Minimum Q-value")
self.declareProperty("QStep", 0.02, doc="Step size in Q. Enter a negative value to get a log scale")
self.declareProperty("AngleOffset", 0.0, doc="angle offset (degrees)")
self.declareProperty(MatrixWorkspaceProperty("OutputWorkspace", "", Direction.Output), "Output workspace")
- self.declareProperty("TOFSteps", 40.0, doc="TOF step size")
+ self.declareProperty("TimeAxisStep", 40.0,
+ doc="Binning step size for the time axis. TOF for detector binning, wavelength for constant Q")
self.declareProperty("EntryName", "entry-Off_Off", doc="Name of the entry to load")
self.declareProperty("CropFirstAndLastPoints", True, doc="If true, we crop the first and last points")
+ self.declareProperty("ConstQTrim", 0.5,
+ doc="With const-Q binning, cut Q bins with contributions fewer than ConstQTrim of WL bins")
+ self.declareProperty("ConstantQBinning", False, doc="If true, we convert to Q before summing")
#pylint: disable=too-many-locals
def PyExec(self):
@@ -111,24 +120,6 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
ws_event_data = LoadEventNexus(Filename=runs, NXentryName=entry_name,
OutputWorkspace="%s_%s" % (INSTRUMENT_NAME, dataRunNumbers[0]))
- # Get the TOF range
- crop_TOF = self.getProperty("CutTOFRange").value
- tof_step = self.getProperty("TOFSteps").value
- if crop_TOF:
- TOFrange = self.getProperty("TOFRange").value #microS
- if TOFrange[0] <= 0:
- TOFrange[0] = tof_step
- logger.error("Lower bound of TOF range cannot be zero: using %s" % tof_step)
- else:
- # If the TOF range option is turned off, use the full range
- # Protect against TOF=0, which will crash when going to Q.
- tof_min = ws_event_data.getTofMin()
- if tof_min <= 0:
- tof_min = tof_step
- tof_max = ws_event_data.getTofMax()
- TOFrange = [tof_min, tof_max]
- logger.information("Using TOF range: %g %g" % (tof_min, tof_max))
-
# Number of pixels in each direction
self.number_of_pixels_x = int(ws_event_data.getInstrument().getNumberParameter("number-of-x-pixels")[0])
self.number_of_pixels_y = int(ws_event_data.getInstrument().getNumberParameter("number-of-y-pixels")[0])
@@ -137,7 +128,7 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
crop_request = self.getProperty("CutLowResDataAxis").value
low_res_range = self.getProperty("LowResDataAxisPixelRange").value
bck_request = self.getProperty("SubtractSignalBackground").value
- data_cropped = self.process_data(ws_event_data, TOFrange,
+ data_cropped = self.process_data(ws_event_data,
crop_request, low_res_range,
dataPeakRange, bck_request, dataBackRange)
@@ -150,7 +141,7 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
crop_request = self.getProperty("CutLowResNormAxis").value
low_res_range = self.getProperty("LowResNormAxisPixelRange").value
bck_request = self.getProperty("SubtractNormBackground").value
- norm_cropped = self.process_data(ws_event_norm, TOFrange,
+ norm_cropped = self.process_data(ws_event_norm,
crop_request, low_res_range,
normPeakRange, bck_request, normBackRange)
# Avoid leaving trash behind
@@ -176,10 +167,13 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
# At this point, the workspace should be considered a distribution of points
normalized_data = ConvertToPointData(InputWorkspace=normalized_data,
OutputWorkspace=str(normalized_data))
- normalized_data.setDistribution(True)
# Convert to Q and clean up the distribution
- q_rebin = self.convert_to_q(normalized_data, TOFrange)
+ constant_q_binning = self.getProperty("ConstantQBinning").value
+ if constant_q_binning:
+ q_rebin = self.constant_q(normalized_data, dataPeakRange)
+ else:
+ q_rebin = self.convert_to_q(normalized_data)
q_rebin = self.cleanup_reflectivity(q_rebin)
# Avoid leaving trash behind
@@ -187,17 +181,121 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
self.setProperty('OutputWorkspace', q_rebin)
- def convert_to_q(self, workspace, TOFrange):
+ def constant_q(self, workspace, peak):
+ """
+ Compute reflectivity using constant-Q binning
+ """
+ # Extract the x-pixel vs TOF data
+ signal = workspace.extractY()
+ signal_err = workspace.extractE()
+ signal=np.flipud(signal)
+ signal_err=np.flipud(signal_err)
+
+ theta = self.calculate_scattering_angle(workspace)
+
+ # Get an array with the center wavelength value for each bin
+ wl_values = workspace.readX(0)
+
+ AddSampleLog(Workspace=workspace, LogName='lambda_min', LogText=str(wl_values[0]),
+ LogType='Number', LogUnit='Angstrom')
+ AddSampleLog(Workspace=workspace, LogName='lambda_max', LogText=str(wl_values[-1]),
+ LogType='Number', LogUnit='Angstrom')
+
+ x_pixel_map = np.mgrid[peak[0]:peak[1]+1, 0:len(wl_values)]
+ x_pixel_map = x_pixel_map[0,:,:]
+
+ pixel_width = float(workspace.getInstrument().getNumberParameter("pixel-width")[0]) / 1000.0
+ det_distance = workspace.getRun()['SampleDetDis'].getStatistics().mean / 1000.0
+ round_up = self.getProperty("RoundUpPixel").value
+ ref_pix = self.getProperty("SpecularPixel").value
+ if round_up:
+ x_distance=(x_pixel_map-np.round(ref_pix)) * pixel_width
+ else:
+ # We offset by 0.5 pixels because the reference pixel is given as
+ # a fractional position relative to the start of a pixel, whereas the pixel map
+ # assumes the center of each pixel.
+ x_distance=(x_pixel_map-ref_pix-0.5) * pixel_width
+
+ theta_f = np.arcsin(x_distance/det_distance)/2.0
+
+ # Calculate Qx, Qz for each pixel
+ LL,TT = np.meshgrid(wl_values, theta_f[:,0])
+
+ qz=4*math.pi/LL * np.sin(theta + TT) * np.cos(TT)
+ qz = qz.T
+
+ AddSampleLog(Workspace=workspace, LogName='q_min', LogText=str(np.min(qz)),
+ LogType='Number', LogUnit='1/Angstrom')
+ AddSampleLog(Workspace=workspace, LogName='q_max', LogText=str(np.max(qz)),
+ LogType='Number', LogUnit='1/Angstrom')
+
+ # Transform q values to q indices
+ q_min_input = self.getProperty("QMin").value
+ q_step = self.getProperty("QStep").value
+
+ # We use np.digitize to bin. The output of digitize is a bin
+ # number for each entry, starting at 1. The first bin (0) is
+ # for underflow entries, and the last bin is for overflow entries.
+ if q_step > 0:
+ n_q_values = int((np.max(qz) - q_min_input) / q_step)
+ axis_z = np.linspace(q_min_input, np.max(qz), n_q_values)
+ else:
+ n_q_values = int((np.log10(np.max(qz))-np.log10(q_min_input)) / np.log10(1.0-q_step))
+ axis_z = np.array([q_min_input * (1.0-q_step)**i for i in range(n_q_values)])
+
+ refl = np.zeros(len(axis_z)-1)
+ refl_err = np.zeros(len(axis_z)-1)
+ signal_n = np.zeros(len(axis_z)-1)
+
+ err_count = 0
+ for tof in range(qz.shape[0]):
+ z_inds = np.digitize(qz[tof], axis_z)
+
+ # Move the indices so the valid bin numbers start at zero,
+ # since this is how we are going to address the output array
+ z_inds -= 1
+
+ for ix in range(signal.shape[0]):
+ if z_inds[ix]<len(axis_z)-1 and z_inds[ix]>=0 and not np.isnan(signal[ix][tof]):
+ refl[z_inds[ix]] += signal[ix][tof]
+ refl_err[z_inds[ix]] += signal_err[ix][tof] * signal_err[ix][tof]
+ signal_n[z_inds[ix]] += 1.0
+ elif signal[ix][tof]>0:
+ err_count += 1
+ logger.notice("Ignored pixels: %s" % err_count)
+
+ signal_n = np.where(signal_n > 0, signal_n, 1)
+ refl = float(signal.shape[0]) * refl / signal_n
+ refl_err = float(signal.shape[0]) * np.sqrt(refl_err) / signal_n
+
+ # Trim Qz bins with fewer than a certain number of wavelength bins
+ # contributing to them,
+ trim_factor = self.getProperty("ConstQTrim").value
+ for i in range(len(refl)):
+ if signal_n[i] < np.max(signal_n) * trim_factor:
+ refl[i] = 0.0
+ refl_err[i] = 0.0
+
+ q_rebin = CreateWorkspace(DataX=axis_z, DataY=refl, DataE=refl_err, ParentWorkspace=workspace)
+ # At this point we still have a histogram, and we need to convert to point data
+ q_rebin = ConvertToPointData(InputWorkspace=q_rebin)
+ return q_rebin
+
+ def convert_to_q(self, workspace):
"""
Convert a reflectivity workspace to Q space
@param workspace: workspace to convert
- @param TOFrange: time of flight range
"""
+ # Because of the way we bin and convert to Q, consider
+ # this a distribution.
+ workspace.setDistribution(True)
+
+ # TOF range
+ tof_range = self.get_tof_range(workspace)
+
# Get Q range
qMin = self.getProperty("QMin").value
qStep = self.getProperty("QStep").value
- if qStep > 0: #force logarithmic binning
- qStep = -qStep
# Get scattering angle theta
theta = self.calculate_scattering_angle(workspace)
@@ -219,18 +317,18 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
h = 6.626e-34 # m^2 kg s^-1
m = 1.675e-27 # kg
constant = 4e-4 * math.pi * m * source_detector_distance / h * math.sin(theta)
- q_range = [qMin, qStep, constant / TOFrange[0] * 1.2]
+ q_range = [qMin, qStep, constant / tof_range[0] * 1.2]
- q_min_from_data = constant / TOFrange[1]
- q_max_from_data = constant / TOFrange[0]
+ q_min_from_data = constant / tof_range[1]
+ q_max_from_data = constant / tof_range[0]
AddSampleLog(Workspace=q_workspace, LogName='q_min', LogText=str(q_min_from_data),
LogType='Number', LogUnit='1/Angstrom')
AddSampleLog(Workspace=q_workspace, LogName='q_max', LogText=str(q_max_from_data),
LogType='Number', LogUnit='1/Angstrom')
tof_to_lambda = 1.0e4 * h / (m * source_detector_distance)
- lambda_min = tof_to_lambda * TOFrange[0]
- lambda_max = tof_to_lambda * TOFrange[1]
+ lambda_min = tof_to_lambda * tof_range[0]
+ lambda_max = tof_to_lambda * tof_range[1]
AddSampleLog(Workspace=q_workspace, LogName='lambda_min', LogText=str(lambda_min),
LogType='Number', LogUnit='Angstrom')
AddSampleLog(Workspace=q_workspace, LogName='lambda_max', LogText=str(lambda_max),
@@ -313,39 +411,81 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
# Get pixel size from instrument properties
if ws_event_data.getInstrument().hasParameter("pixel_width"):
- pixel_width = float(ws_event_data.getInstrument().getNumberParameter("pixel_width")[0])
+ pixel_width = float(ws_event_data.getInstrument().getNumberParameter("pixel_width")[0]) / 1000.0
else:
pixel_width = 0.0007
#theta = (dangle - dangle0) * math.pi / 360.0
theta = (dangle - dangle0) * math.pi / 180.0 / 2.0 + ((direct_beam_pix - ref_pix) * pixel_width) / (2.0 * det_distance)
-
+ if theta < 0:
+ logger.warning("The calculated scattering angle is negative: taking absolute value")
+ theta = abs(theta)
angle_offset = self.getProperty("AngleOffset").value
return theta + angle_offset
+ def get_tof_range(self, ws_event_data):
+ """
+ Determine the TOF range
+ @param ws_event_data: data workspace
+ """
+ if self._tof_range is not None:
+ return self._tof_range
+
+ crop_TOF = self.getProperty("CutTimeAxis").value
+ tof_step = self.getProperty("TimeAxisStep").value
+ if crop_TOF:
+ self._tof_range = self.getProperty("TimeAxisRange").value #microS
+ if self._tof_range[0] <= 0:
+ self._tof_range[0] = tof_step
+ logger.error("Lower bound of TOF range cannot be zero: using %s" % tof_step)
+ else:
+ # If the TOF range option is turned off, use the full range
+ # Protect against TOF=0, which will crash when going to Q.
+ tof_min = ws_event_data.getTofMin()
+ if tof_min <= 0:
+ tof_min = tof_step
+ tof_max = ws_event_data.getTofMax()
+ self._tof_range = [tof_min, tof_max]
+ logger.notice("Determining range: %g %g" % (tof_min, tof_max))
+
+ return self._tof_range
+
#pylint: disable=too-many-arguments
- def process_data(self, workspace, tof_range, crop_low_res, low_res_range,
+ def process_data(self, workspace, crop_low_res, low_res_range,
peak_range, subtract_background, background_range):
"""
Common processing for both sample data and normalization.
"""
- # Rebin TOF axis
+ use_wl_cut = self.getProperty("UseWLTimeAxis").value
+ constant_q_binning = self.getProperty("ConstantQBinning").value
+
+ # With constant-Q binning, convert to wavelength before or after
+ # cutting the time axis depending on how the user wanted it.
+ if constant_q_binning and use_wl_cut:
+ # Convert to wavelength
+ workspace = ConvertUnits(InputWorkspace=workspace, Target="Wavelength",
+ AlignBins=True, ConvertFromPointData=False,
+ OutputWorkspace="%s_histo" % str(workspace))
+ tof_range = self.get_tof_range(workspace)
+ # Rebin wavelength axis
tof_max = workspace.getTofMax()
tof_min = workspace.getTofMin()
if tof_min > tof_range[1] or tof_max < tof_range[0]:
- error_msg = "Requested TOF range does not match data for %s: " % str(workspace)
+ error_msg = "Requested range does not match data for %s: " % str(workspace)
error_msg += "[%g, %g] found [%g, %g]" % (tof_range[0], tof_range[1],
tof_min, tof_max)
raise RuntimeError(error_msg)
- tof_step = self.getProperty("TOFSteps").value
- workspace = Rebin(InputWorkspace=workspace, Params=[0, tof_step, tof_max],
- PreserveEvents=True, OutputWorkspace="%s_histo" % str(workspace))
+ tof_step = self.getProperty("TimeAxisStep").value
+ logger.notice("Time axis range: %s %s %s [%s %s]" % (tof_range[0], tof_step, tof_range[1], tof_min, tof_max))
+ workspace = Rebin(InputWorkspace=workspace, Params=[tof_range[0], tof_step, tof_range[1]],
+ OutputWorkspace="%s_histo" % str(workspace))
- # Crop TOF range
- workspace = CropWorkspace(InputWorkspace=workspace,
- XMin=tof_range[0], XMax=tof_range[1],
- OutputWorkspace=str(workspace))
+ if constant_q_binning and not use_wl_cut:
+ # Convert to wavelength
+ workspace = ConvertUnits(InputWorkspace=workspace, Target="Wavelength",
+ AlignBins=True, ConvertFromPointData=False,
+ OutputWorkspace="%s_histo" % str(workspace))
# Integrate over low resolution range
low_res_min = 0
@@ -401,7 +541,7 @@ class MagnetismReflectometryReduction(PythonAlgorithm):
# Avoid leaving trash behind
AnalysisDataService.remove(str(workspace))
AnalysisDataService.remove(str(subtracted))
-
return cropped
+
AlgorithmFactory.subscribe(MagnetismReflectometryReduction)
diff --git a/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py b/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
index 8506b9fda068d8d3a3643f94ce8816827c5fcb89..1fe30d63a1cbe8b8ca9773c28db7b6464f03ca45 100644
--- a/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
@@ -707,7 +707,8 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# temp_ws = self.get_workspace(sample_ws_name)
if not (is_event_workspace(sample_ws_name) and get_workspace(sample_ws_name).getNumberEvents() == 0):
api.NormaliseByCurrent(InputWorkspace=sample_ws_name,
- OutputWorkspace=sample_ws_name)
+ OutputWorkspace=sample_ws_name,
+ RecalculatePCharge=True)
get_workspace(sample_ws_name).getRun()['gsas_monitor'] = 1
# END-IF
# ENDI-IF
@@ -772,7 +773,8 @@ class SNSPowderReduction(DataProcessorAlgorithm):
if self._normalisebycurrent is True:
api.NormaliseByCurrent(InputWorkspace=sumRun,
- OutputWorkspace=sumRun)
+ OutputWorkspace=sumRun,
+ RecalculatePCharge=True)
get_workspace(sumRun).getRun()['gsas_monitor'] = 1
return sumRun
@@ -945,7 +947,8 @@ class SNSPowderReduction(DataProcessorAlgorithm):
try:
if normalisebycurrent is True:
api.NormaliseByCurrent(InputWorkspace=output_wksp_list[split_index],
- OutputWorkspace=output_wksp_list[split_index])
+ OutputWorkspace=output_wksp_list[split_index],
+ RecalculatePCharge=True)
get_workspace(output_wksp_list[split_index]).getRun()['gsas_monitor'] = 1
except RuntimeError as e:
self.log().warning(str(e))
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
index 6e6f12643919bf80ae28302399381df5e4bef0a9..3b34904b458ed837eb3703f5442c9d4f354b194b 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ISISIndirectDiffractionReduction.py
@@ -147,6 +147,7 @@ class ISISIndirectDiffractionReduction(DataProcessorAlgorithm):
load_opts = dict()
if self._instrument_name == 'VESUVIO':
load_opts['Mode'] = 'FoilOut'
+ load_opts['LoadMonitors'] = True
self._workspace_names, self._chopped_data = load_files(self._data_files,
self._ipf_filename,
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/VesuvioDiffractionReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/VesuvioDiffractionReduction.py
index f5d6537868e933bff15846ce797350590d0872dd..12168e95c17acfc2567ddef12e982370494bb592 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/VesuvioDiffractionReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/VesuvioDiffractionReduction.py
@@ -92,22 +92,12 @@ class VesuvioDiffractionReduction(DataProcessorAlgorithm):
load_opts = dict()
load_opts['Mode'] = 'FoilOut'
load_opts['InstrumentParFile'] = self._par_filename
- # Load monitors as True so monitors will not be loaded separately in LoadVesuvio
+ # Tell LoadVesuvio to load the monitors and keep them in the output
load_opts['LoadMonitors'] = True
prog_reporter = Progress(self, start=0.0, end=1.0, nreports=1)
prog_reporter.report("Loading Files")
-
- # Split up runs as LoadVesuvio sums multiple runs
- input_files = self._data_files
- for run in input_files:
- try:
- number_generator = IntArrayProperty('array_generator', run)
- self._data_files = number_generator.value.tolist()
- except RuntimeError:
- raise RuntimeError("Could not generate run numbers from this input: " + run)
-
self._workspace_names, self._chopped_data = load_files(self._data_files,
ipf_filename=self._ipf_filename,
spec_min=self._spectra_range[0],
@@ -115,7 +105,7 @@ class VesuvioDiffractionReduction(DataProcessorAlgorithm):
sum_files=self._sum_files,
load_opts=load_opts)
- prog_reporter.resetNumSteps(self._workspace_names.__len__(), 0.0, 1.0)
+ prog_reporter.resetNumSteps(len(self._workspace_names), 0.0, 1.0)
for c_ws_name in self._workspace_names:
is_multi_frame = isinstance(mtd[c_ws_name], WorkspaceGroup)
@@ -191,7 +181,6 @@ class VesuvioDiffractionReduction(DataProcessorAlgorithm):
self._mode = 'diffspec'
self._output_ws = self.getPropertyValue('OutputWorkspace')
- self._data_files = self.getProperty('InputFiles').value
self._par_filename = self.getPropertyValue('InstrumentParFile')
self._spectra_range = self.getProperty('SpectraRange').value
self._rebin_string = self.getPropertyValue('RebinParam')
@@ -206,17 +195,20 @@ class VesuvioDiffractionReduction(DataProcessorAlgorithm):
self._ipf_filename = os.path.join(config['instrumentDefinition.directory'], self._ipf_filename)
logger.information('IPF filename is: %s' % self._ipf_filename)
- # Only enable sum files if we actually have more than one file
- sum_files = self.getProperty('SumFiles').value
- self._sum_files = False
-
- if sum_files:
- num_raw_files = len(self._data_files)
- if num_raw_files > 1:
- self._sum_files = True
- logger.information('Summing files enabled (have %d files)' % num_raw_files)
- else:
- logger.information('SumFiles options is ignored when only one file is provided')
+ # Split up runs given as a range LoadVesuvio sums multiple runs on its own
+ self._sum_files = self.getProperty('SumFiles').value
+ user_input = self.getProperty('InputFiles').value
+ single_files = []
+ for run in user_input:
+ try:
+ number_generator = IntArrayProperty('array_generator', run)
+ single_files.extend(number_generator.value.tolist())
+ except RuntimeError as exc:
+ raise RuntimeError("Could not generate run numbers from '{0}': '{1}'".format(run, str(exc)))
+ # end
+ self._data_files = single_files
+ if self._sum_files and len(self._data_files) == 1:
+ logger.warning('Ignoring SumFiles=True as only one file has been provided')
AlgorithmFactory.subscribe(VesuvioDiffractionReduction)
diff --git a/Framework/PythonInterface/test/python/mantid/api/SpectrumInfoTest.py b/Framework/PythonInterface/test/python/mantid/api/SpectrumInfoTest.py
index 920386145e0c2366b3d724c2b16ac535edd81575..9e5dfa604c0c73ec641231f744795ed8b73c5d4e 100644
--- a/Framework/PythonInterface/test/python/mantid/api/SpectrumInfoTest.py
+++ b/Framework/PythonInterface/test/python/mantid/api/SpectrumInfoTest.py
@@ -21,5 +21,15 @@ class SpectrumInfoTest(unittest.TestCase):
info = self._ws.spectrumInfo()
self.assertEquals(info.isMasked(1), False)
+ def test_geometry(self):
+ info = self._ws.spectrumInfo()
+ self.assertAlmostEquals(info.l2(1), 5.0009999)
+ self.assertAlmostEquals(info.twoTheta(1), 0.01999733)
+ self.assertAlmostEquals(info.phi(1), 1.57079632)
+ p = info.position(1)
+ self.assertEquals(p.X(), 0.0)
+ self.assertEquals(p.Y(), 0.1)
+ self.assertEquals(p.Z(), 5.0)
+
if __name__ == '__main__':
unittest.main()
diff --git a/Framework/SINQ/inc/MantidSINQ/PoldiPeakSearch.h b/Framework/SINQ/inc/MantidSINQ/PoldiPeakSearch.h
index 0621ba7314379c6036426bb11ab0c1bd12373f75..8efa6815ddbffde32bc972d7cf20dc2108db15b7 100644
--- a/Framework/SINQ/inc/MantidSINQ/PoldiPeakSearch.h
+++ b/Framework/SINQ/inc/MantidSINQ/PoldiPeakSearch.h
@@ -3,18 +3,21 @@
#include "MantidSINQ/DllConfig.h"
+#include "MantidAPI/Algorithm.h"
#include "MantidKernel/System.h"
#include "MantidKernel/Unit.h"
#include "MantidKernel/V2D.h"
-#include "MantidAPI/Algorithm.h"
#include "MantidDataObjects/Workspace2D.h"
-#include "MantidSINQ/PoldiUtilities/UncertainValue.h"
#include "MantidSINQ/PoldiUtilities/PoldiPeak.h"
#include "MantidSINQ/PoldiUtilities/PoldiPeakCollection.h"
+#include "MantidSINQ/PoldiUtilities/UncertainValue.h"
namespace Mantid {
+namespace HistogramData {
+class HistogramY;
+}
namespace Poldi {
/** PoldiPeakSearch :
@@ -60,7 +63,8 @@ public:
const std::string category() const override { return "SINQ\\Poldi"; }
protected:
- MantidVec getNeighborSums(MantidVec correlationCounts) const;
+ MantidVec
+ getNeighborSums(const HistogramData::HistogramY &correlationCounts) const;
std::list<MantidVec::const_iterator>
findPeaks(MantidVec::const_iterator begin, MantidVec::const_iterator end);
diff --git a/Framework/SINQ/src/LoadFlexiNexus.cpp b/Framework/SINQ/src/LoadFlexiNexus.cpp
index a7b3341a8379368f1603988cde329f2aa30e7748..3bf3f9785b1ec219875a9cf24511fb5474e4c61f 100644
--- a/Framework/SINQ/src/LoadFlexiNexus.cpp
+++ b/Framework/SINQ/src/LoadFlexiNexus.cpp
@@ -7,7 +7,6 @@
#include "MantidDataObjects/MDHistoWorkspace.h"
#include "MantidGeometry/MDGeometry/MDTypes.h"
#include "MantidKernel/ArrayProperty.h"
-#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/Utils.h"
#include <boost/algorithm/string.hpp>
@@ -24,6 +23,9 @@ using namespace Mantid::Geometry;
using namespace Mantid;
using namespace Mantid::DataObjects;
using namespace ::NeXus;
+using Mantid::HistogramData::BinEdges;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
// A reference to the logger is provided by the base class, it is called g_log.
// It is used to print out information, warning and error messages
@@ -165,15 +167,13 @@ void LoadFlexiNexus::load2DWorkspace(NeXus::File *fin) {
// x can be bin edges or points, depending on branching above
auto x = Kernel::make_cow<HistogramData::HistogramX>(xData);
for (int wsIndex = 0; wsIndex < nSpectra; wsIndex++) {
- Mantid::MantidVec &Y = ws->dataY(wsIndex);
- for (int j = 0; j < spectraLength; j++) {
- Y[j] = data[spectraLength * wsIndex + j];
- }
- // Create and fill another vector for the errors, containing sqrt(count)
- Mantid::MantidVec &E = ws->dataE(wsIndex);
- std::transform(Y.begin(), Y.end(), E.begin(), dblSqrt);
- ws->setX(wsIndex, x);
- // Xtof ws->getAxis(1)->spectraNo(i)= i;
+ auto beg = data.begin() + spectraLength * wsIndex;
+ auto end = beg + spectraLength;
+ if (static_cast<size_t>(spectraLength) == xData.size())
+ ws->setHistogram(wsIndex, Points(x), Counts(beg, end));
+ else
+ ws->setHistogram(wsIndex, BinEdges(x), Counts(beg, end));
+
ws->getSpectrum(wsIndex)
.setSpectrumNo(static_cast<specnum_t>(yData[wsIndex]));
ws->getSpectrum(wsIndex)
diff --git a/Framework/SINQ/src/MDHistoToWorkspace2D.cpp b/Framework/SINQ/src/MDHistoToWorkspace2D.cpp
index 9a0d1068c8512d4c8a2658c2bb720aaaa2430bbd..8b63d8fed95d0dc3e5ac0754878e5e3843f33ce7 100644
--- a/Framework/SINQ/src/MDHistoToWorkspace2D.cpp
+++ b/Framework/SINQ/src/MDHistoToWorkspace2D.cpp
@@ -26,6 +26,8 @@ using namespace Mantid::API;
using namespace Mantid::Geometry;
using namespace Mantid::DataObjects;
using namespace Mantid;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
// A reference to the logger is provided by the base class, it is called g_log.
// It is used to print out information, warning and error messages
@@ -83,22 +85,22 @@ void MDHistoToWorkspace2D::recurseData(IMDHistoWorkspace_sptr inWS,
size_t currentDim, coord_t *pos) {
boost::shared_ptr<const IMDDimension> dim = inWS->getDimension(currentDim);
if (currentDim == m_rank - 1) {
- MantidVec &Y = outWS->dataY(m_currentSpectra);
+ Counts counts(dim->getNBins());
+ auto &Y = counts.mutableData();
+
for (unsigned int j = 0; j < dim->getNBins(); j++) {
pos[currentDim] = dim->getX(j);
Y[j] = inWS->getSignalAtCoord(
pos, static_cast<Mantid::API::MDNormalization>(0));
}
- MantidVec &E = outWS->dataE(m_currentSpectra);
- // MSVC compiler can't figure out the correct overload with out the function
- // cast on sqrt
- std::transform(Y.begin(), Y.end(), E.begin(),
- (double (*)(double))std::sqrt);
- std::vector<double> xData;
+
+ Points points(dim->getNBins());
+ auto &xData = points.mutableData();
for (unsigned int i = 0; i < dim->getNBins(); i++) {
- xData.push_back(dim->getX(i));
+ xData[i] = dim->getX(i);
}
- outWS->setPoints(m_currentSpectra, xData);
+
+ outWS->setHistogram(m_currentSpectra, std::move(points), std::move(counts));
outWS->getSpectrum(m_currentSpectra)
.setSpectrumNo(static_cast<specnum_t>(m_currentSpectra));
m_currentSpectra++;
@@ -115,15 +117,14 @@ void MDHistoToWorkspace2D::checkW2D(
Mantid::DataObjects::Workspace2D_sptr outWS) {
size_t nSpectra = outWS->getNumberHistograms();
size_t length = outWS->blocksize();
- MantidVec x, y, e;
g_log.information() << "W2D has " << nSpectra << " histograms of length "
<< length;
for (size_t i = 0; i < nSpectra; i++) {
auto &spec = outWS->getSpectrum(i);
- x = spec.dataX();
- y = spec.dataY();
- e = spec.dataE();
+ auto &x = spec.x();
+ auto &y = spec.y();
+ auto &e = spec.e();
if (x.size() != length) {
g_log.information() << "Spectrum " << i << " x-size mismatch, is "
<< x.size() << " should be " << length << "\n";
diff --git a/Framework/SINQ/src/PoldiAnalyseResiduals.cpp b/Framework/SINQ/src/PoldiAnalyseResiduals.cpp
index 50f3f6143d8109f9afd6453f35601805df7ff34e..3e3fd82a4f733981cf6c28c17f270765185e5b4b 100644
--- a/Framework/SINQ/src/PoldiAnalyseResiduals.cpp
+++ b/Framework/SINQ/src/PoldiAnalyseResiduals.cpp
@@ -1,9 +1,9 @@
#include "MantidSINQ/PoldiAnalyseResiduals.h"
-#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/AlgorithmFactory.h"
#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidSINQ/PoldiUtilities/PoldiResidualCorrelationCore.h"
+#include "MantidDataObjects/TableWorkspace.h"
#include "MantidSINQ/PoldiUtilities/PoldiDeadWireDecorator.h"
+#include "MantidSINQ/PoldiUtilities/PoldiResidualCorrelationCore.h"
#include <numeric>
@@ -42,12 +42,12 @@ const std::string PoldiAnalyseResiduals::summary() const {
double PoldiAnalyseResiduals::sumCounts(
const DataObjects::Workspace2D_sptr &workspace,
const std::vector<int> &workspaceIndices) const {
- return std::accumulate(
- workspaceIndices.begin(), workspaceIndices.end(), 0.0,
- [&workspace](double sum, int workspaceIndex) {
- const MantidVec &counts = workspace->readY(workspaceIndex);
- return sum + std::accumulate(counts.begin(), counts.end(), 0.0);
- });
+ return std::accumulate(workspaceIndices.begin(), workspaceIndices.end(), 0.0,
+ [&workspace](double sum, int workspaceIndex) {
+ auto &counts = workspace->y(workspaceIndex);
+ return sum + std::accumulate(counts.cbegin(),
+ counts.cend(), 0.0);
+ });
}
/// Counts the number of values in each spectrum specified by the list of
@@ -55,12 +55,12 @@ double PoldiAnalyseResiduals::sumCounts(
size_t PoldiAnalyseResiduals::numberOfPoints(
const DataObjects::Workspace2D_sptr &workspace,
const std::vector<int> &workspaceIndices) const {
- return std::accumulate(
- workspaceIndices.begin(), workspaceIndices.end(), size_t{0},
- [&workspace](size_t sum, int workspaceIndex) {
- const MantidVec &counts = workspace->readY(workspaceIndex);
- return sum + counts.size();
- });
+ return std::accumulate(workspaceIndices.begin(), workspaceIndices.end(),
+ size_t{0},
+ [&workspace](size_t sum, int workspaceIndex) {
+ auto &counts = workspace->y(workspaceIndex);
+ return sum + counts.size();
+ });
}
/// Adds the specified value to all spectra specified by the given workspace
@@ -69,10 +69,7 @@ void PoldiAnalyseResiduals::addValue(
DataObjects::Workspace2D_sptr &workspace, double value,
const std::vector<int> &workspaceIndices) const {
for (auto workspaceIndex : workspaceIndices) {
- MantidVec &counts = workspace->dataY(workspaceIndex);
- for (double &count : counts) {
- count += value;
- }
+ workspace->mutableY(workspaceIndex) += value;
}
}
@@ -182,13 +179,11 @@ bool PoldiAnalyseResiduals::iterationLimitReached(int iterations) {
/// total number of counts
double PoldiAnalyseResiduals::relativeCountChange(
const DataObjects::Workspace2D_sptr &sum, double totalMeasuredCounts) {
- const MantidVec &corrCounts = sum->readY(0);
- double csum = 0.0;
- for (double corrCount : corrCounts) {
- csum += fabs(corrCount);
- }
-
- return csum / totalMeasuredCounts * 100.0;
+ auto &corrCounts = sum->y(0);
+ return std::accumulate(
+ corrCounts.cbegin(), corrCounts.cend(), 0.0,
+ [](double sum, double val) { return sum += fabs(val); }) /
+ totalMeasuredCounts * 100.0;
}
void PoldiAnalyseResiduals::exec() {
diff --git a/Framework/SINQ/src/PoldiFitPeaks2D.cpp b/Framework/SINQ/src/PoldiFitPeaks2D.cpp
index 2996cdf60e1d0b1906cfac437a9b7c8febabde7d..5acd280df98bfbb9ba4dc0a9c383eda9f3603f4a 100644
--- a/Framework/SINQ/src/PoldiFitPeaks2D.cpp
+++ b/Framework/SINQ/src/PoldiFitPeaks2D.cpp
@@ -10,20 +10,20 @@
#include "MantidAPI/TableRow.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidAPI/WorkspaceGroup.h"
-#include "MantidDataObjects/Workspace2D.h"
#include "MantidDataObjects/TableWorkspace.h"
+#include "MantidDataObjects/Workspace2D.h"
#include "MantidGeometry/Crystal/UnitCell.h"
#include "MantidKernel/ListValidator.h"
#include "MantidSINQ/PoldiUtilities/IPoldiFunction1D.h"
#include "MantidSINQ/PoldiUtilities/Poldi2DFunction.h"
-#include "MantidSINQ/PoldiUtilities/PoldiInstrumentAdapter.h"
-#include "MantidSINQ/PoldiUtilities/PoldiDeadWireDecorator.h"
#include "MantidSINQ/PoldiUtilities/PoldiDGrid.h"
+#include "MantidSINQ/PoldiUtilities/PoldiDeadWireDecorator.h"
+#include "MantidSINQ/PoldiUtilities/PoldiInstrumentAdapter.h"
+#include "MantidSINQ/PoldiUtilities/PoldiPeakCollection.h"
#include "MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h"
#include "MantidSINQ/PoldiUtilities/PoldiSpectrumLinearBackground.h"
#include "MantidSINQ/PoldiUtilities/PoldiSpectrumPawleyFunction.h"
-#include "MantidSINQ/PoldiUtilities/PoldiPeakCollection.h"
#include "boost/make_shared.hpp"
@@ -886,8 +886,8 @@ PoldiFitPeaks2D::getQSpectrum(const FunctionDomain1D &domain,
MatrixWorkspace_sptr ws1D = WorkspaceFactory::Instance().create(
"Workspace2D", 1, domain.size(), values.size());
- MantidVec &xData = ws1D->dataX(0);
- MantidVec &yData = ws1D->dataY(0);
+ auto &xData = ws1D->mutableX(0);
+ auto &yData = ws1D->mutableY(0);
size_t offset = values.size() - 1;
for (size_t i = 0; i < values.size(); ++i) {
xData[offset - i] = Conversions::dToQ(domain[i]);
@@ -1137,7 +1137,7 @@ void PoldiFitPeaks2D::setDeltaTFromWorkspace(
throw std::invalid_argument("MatrixWorkspace does not contain any data.");
}
- MantidVec xData = matrixWorkspace->readX(0);
+ auto &xData = matrixWorkspace->x(0);
if (xData.size() < 2) {
throw std::invalid_argument(
@@ -1146,7 +1146,7 @@ void PoldiFitPeaks2D::setDeltaTFromWorkspace(
// difference between first and second x-value is assumed to be the bin
// width.
- setDeltaT(matrixWorkspace->readX(0)[1] - matrixWorkspace->readX(0)[0]);
+ setDeltaT(matrixWorkspace->x(0)[1] - matrixWorkspace->x(0)[0]);
}
/**
diff --git a/Framework/SINQ/src/PoldiPeakSearch.cpp b/Framework/SINQ/src/PoldiPeakSearch.cpp
index 7e1f7368605519b9a0e6928f0ee26601ff4d5b3b..f6091db34bbda36f2cffc36a54bbcce16d7fb2ca 100644
--- a/Framework/SINQ/src/PoldiPeakSearch.cpp
+++ b/Framework/SINQ/src/PoldiPeakSearch.cpp
@@ -1,20 +1,20 @@
#include "MantidSINQ/PoldiPeakSearch.h"
#include "MantidAPI/Axis.h"
-#include "MantidAPI/WorkspaceProperty.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidAPI/WorkspaceProperty.h"
#include "MantidKernel/BoundedValidator.h"
-#include "MantidKernel/UnitFactory.h"
#include "MantidKernel/UnitConversion.h"
+#include "MantidKernel/UnitFactory.h"
#include "MantidKernel/V2D.h"
-#include "MantidDataObjects/Workspace2D.h"
-#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"
+#include "MantidDataObjects/TableWorkspace.h"
+#include "MantidDataObjects/Workspace2D.h"
#include "boost/bind.hpp"
-#include <list>
#include <algorithm>
+#include <list>
#include <numeric>
#include <queue>
@@ -32,6 +32,7 @@ DECLARE_ALGORITHM(PoldiPeakSearch)
using namespace Kernel;
using namespace API;
using namespace DataObjects;
+using HistogramData::HistogramY;
PoldiPeakSearch::PoldiPeakSearch()
: API::Algorithm(), m_minimumDistance(0), m_doubleMinimumDistance(0),
@@ -47,7 +48,8 @@ PoldiPeakSearch::PoldiPeakSearch()
* @param correlationCounts :: Vector with correlation counts.
* @return Vector with sum of neighboring correlation counts.
*/
-MantidVec PoldiPeakSearch::getNeighborSums(MantidVec correlationCounts) const {
+MantidVec
+PoldiPeakSearch::getNeighborSums(const HistogramY &correlationCounts) const {
/* Since the first and last element in a list don't have two neighbors, they
*are excluded from the calculation
* and the result vector's size is reduced by two. Also, the algorithm does
@@ -556,8 +558,8 @@ void PoldiPeakSearch::exec() {
g_log.information() << "PoldiPeakSearch:\n";
Workspace2D_sptr correlationWorkspace = getProperty("InputWorkspace");
- MantidVec correlationQValues = correlationWorkspace->readX(0);
- MantidVec correlatedCounts = correlationWorkspace->readY(0);
+ auto &correlationQValues = correlationWorkspace->x(0);
+ auto &correlatedCounts = correlationWorkspace->y(0);
g_log.information() << " Auto-correlation data read.\n";
Unit_sptr xUnit = correlationWorkspace->getAxis(0)->unit();
@@ -583,12 +585,12 @@ void PoldiPeakSearch::exec() {
g_log.information() << " Parameters set.\n";
- MantidVec summedNeighborCounts = getNeighborSums(correlatedCounts);
+ MantidVec summedNeighborCounts = getNeighborSums(correlatedCounts.rawData());
g_log.information() << " Neighboring counts summed, contains "
<< summedNeighborCounts.size() << " data points.\n";
std::list<MantidVec::const_iterator> peakPositionsSummed =
- findPeaks(summedNeighborCounts.begin(), summedNeighborCounts.end());
+ findPeaks(summedNeighborCounts.cbegin(), summedNeighborCounts.cend());
g_log.information() << " Peaks detected in summed spectrum: "
<< peakPositionsSummed.size() << '\n';
@@ -610,13 +612,13 @@ void PoldiPeakSearch::exec() {
* along with the Q-values.
*/
std::vector<PoldiPeak_sptr> peakCoordinates =
- getPeaks(correlatedCounts.begin(), correlatedCounts.end(),
- peakPositionsCorrelation, correlationQValues, xUnit);
+ getPeaks(correlatedCounts.cbegin(), correlatedCounts.cend(),
+ peakPositionsCorrelation, correlationQValues.rawData(), xUnit);
g_log.information()
<< " Extracted peak positions in Q and intensity guesses.\n";
- UncertainValue backgroundWithSigma =
- getBackgroundWithSigma(peakPositionsCorrelation, correlatedCounts);
+ UncertainValue backgroundWithSigma = getBackgroundWithSigma(
+ peakPositionsCorrelation, correlatedCounts.rawData());
g_log.information() << " Calculated average background and deviation: "
<< UncertainValueIO::toString(backgroundWithSigma)
<< '\n';
diff --git a/Framework/SINQ/src/PoldiTruncateData.cpp b/Framework/SINQ/src/PoldiTruncateData.cpp
index 741701334617331abf30dc6adb9a43842ac78d7b..9f2090e94afdee8c5285a1bca70db3f88fa5afc4 100644
--- a/Framework/SINQ/src/PoldiTruncateData.cpp
+++ b/Framework/SINQ/src/PoldiTruncateData.cpp
@@ -1,5 +1,5 @@
-#include "MantidAPI/MatrixWorkspace.h"
#include "MantidSINQ/PoldiTruncateData.h"
+#include "MantidAPI/MatrixWorkspace.h"
#include "MantidSINQ/PoldiUtilities/PoldiInstrumentAdapter.h"
namespace Mantid {
@@ -68,7 +68,7 @@ void PoldiTruncateData::setTimeBinWidthFromWorkspace(
"Workspace does not contain any data. Aborting.");
}
- const MantidVec &xData = workspace->readX(0);
+ const auto &xData = workspace->x(0);
if (xData.size() < 2) {
throw std::invalid_argument(
diff --git a/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp b/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
index a7565e4e10211adfb88a7ba4f114dac630b65f24..551ce40b508b991558965589421eaaa049c35bd3 100644
--- a/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
+++ b/Framework/SINQ/src/PoldiUtilities/PoldiAutoCorrelationCore.cpp
@@ -1,16 +1,16 @@
#include "MantidSINQ/PoldiUtilities/PoldiAutoCorrelationCore.h"
-#include <utility>
-#include <numeric>
-#include <algorithm>
-#include "boost/bind.hpp"
#include "MantidAPI/Axis.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "MantidKernel/Logger.h"
#include "MantidKernel/MultiThreaded.h"
+#include "boost/bind.hpp"
+#include <algorithm>
+#include <numeric>
+#include <utility>
-#include "MantidSINQ/PoldiUtilities/PoldiDGrid.h"
#include "MantidSINQ/PoldiUtilities/PoldiConversions.h"
+#include "MantidSINQ/PoldiUtilities/PoldiDGrid.h"
#include "MantidSINQ/PoldiUtilities/UncertainValue.h"
#include "MantidSINQ/PoldiUtilities/UncertainValueIO.h"
@@ -85,7 +85,7 @@ DataObjects::Workspace2D_sptr PoldiAutoCorrelationCore::finalizeCalculation(
outputWorkspace->getAxis(0)->setUnit("MomentumTransfer");
- outputWorkspace->dataY(0) = correctedCorrelatedIntensities;
+ outputWorkspace->mutableY(0) = correctedCorrelatedIntensities;
outputWorkspace->setPoints(0, qValues);
@@ -118,7 +118,7 @@ DataObjects::Workspace2D_sptr PoldiAutoCorrelationCore::calculate(
* - d-resolution deltaD, which results directly from deltaT
* - number of time bins for each copper cycle
*/
- std::vector<double> timeData = m_countData->readX(0);
+ const auto &timeData = m_countData->x(0);
m_logger.information() << " Setting time data...\n";
m_deltaT = timeData[1] - timeData[0];
@@ -624,7 +624,7 @@ std::vector<double> PoldiAutoCorrelationCore::getTofsFor1Angstrom(
* @return Counts at position.
*/
double PoldiAutoCorrelationCore::getCounts(int x, int y) const {
- return m_countData->readY(x)[y];
+ return m_countData->y(x)[y];
}
/** Returns normalized counts for correlation method at given position - these
@@ -635,7 +635,7 @@ double PoldiAutoCorrelationCore::getCounts(int x, int y) const {
* @return Normalized counts at position.
*/
double PoldiAutoCorrelationCore::getNormCounts(int x, int y) const {
- return std::max(1.0, m_normCountData->readY(x)[y]);
+ return std::max(1.0, m_normCountData->y(x)[y]);
}
/** Returns detector element index for given index
diff --git a/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp b/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
index 5fa777bf2511044f8a9bbdd60962ce3a83cdb995..be041902c7bd7bce515944efb0ba07a2ec1a001c 100644
--- a/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
+++ b/Framework/SINQ/src/PoldiUtilities/PoldiResidualCorrelationCore.cpp
@@ -20,7 +20,7 @@ void PoldiResidualCorrelationCore::setWeight(double newWeight) {
/// Returns norm counts (with an added weight).
double PoldiResidualCorrelationCore::getNormCounts(int x, int y) const {
- return fabs(m_normCountData->readY(x)[y]) + m_weight;
+ return fabs(m_normCountData->y(x)[y]) + m_weight;
}
/// Calculates a scaled and weighted average signal/noise value from the
@@ -186,7 +186,7 @@ DataObjects::Workspace2D_sptr PoldiResidualCorrelationCore::finalizeCalculation(
/// Adds the supplied value to each data point.
void PoldiResidualCorrelationCore::addToCountData(int x, int y,
double newCounts) const {
- m_countData->dataY(x)[y] += newCounts;
+ m_countData->mutableY(x)[y] += newCounts;
}
} // namespace Poldi
diff --git a/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumConstantBackground.cpp b/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumConstantBackground.cpp
index b12db529d68baa6ccf8354683ca3c2361152fb60..ca9a9f13d7c44bde7272e64972ef6f9e7258c157 100644
--- a/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumConstantBackground.cpp
+++ b/Framework/SINQ/src/PoldiUtilities/PoldiSpectrumConstantBackground.cpp
@@ -38,7 +38,7 @@ void PoldiSpectrumConstantBackground::setWorkspace(
boost::dynamic_pointer_cast<const MatrixWorkspace>(ws);
if (matrixWs && matrixWs->getNumberHistograms() > 0) {
- m_timeBinCount = matrixWs->readX(0).size();
+ m_timeBinCount = matrixWs->x(0).size();
}
}
diff --git a/Framework/SINQ/test/LoadFlexiNexusTest.h b/Framework/SINQ/test/LoadFlexiNexusTest.h
index 96073fc34474349c0312896e5ba3896afb6e1aef..07be46cc1810cd7c5bb40b691dc2d734ff41ce99 100644
--- a/Framework/SINQ/test/LoadFlexiNexusTest.h
+++ b/Framework/SINQ/test/LoadFlexiNexusTest.h
@@ -1,14 +1,15 @@
#ifndef __LOADFLEXINEXUSTEST
#define __LOADFLEXINEXUSTEST
-#include <cxxtest/TestSuite.h>
-#include "MantidSINQ/LoadFlexiNexus.h"
#include "MantidAPI/AnalysisDataService.h"
-#include "MantidGeometry/MDGeometry/IMDDimension.h"
#include "MantidAPI/IMDHistoWorkspace.h"
#include "MantidAPI/Run.h"
+#include "MantidGeometry/MDGeometry/IMDDimension.h"
#include "MantidKernel/Property.h"
#include "MantidKernel/cow_ptr.h"
+#include "MantidSINQ/LoadFlexiNexus.h"
+#include <cxxtest/TestSuite.h>
+#include <numeric>
using namespace Mantid::API;
using namespace Mantid::Geometry;
@@ -95,12 +96,9 @@ public:
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
outputSpace);
TS_ASSERT_EQUALS(data->getNumberHistograms(), 1);
- MantidVec &X = data->dataX(0);
- MantidVec &Y = data->dataY(0);
- double dSum = .0;
- for (size_t i = 0; i < Y.size(); i++) {
- dSum += Y[i];
- }
+ const auto &X = data->x(0);
+ const auto &Y = data->y(0);
+ double dSum = std::accumulate(Y.cbegin(), Y.cend(), 0.);
TS_ASSERT_EQUALS(dSum, 198812);
// test X
diff --git a/Framework/SINQ/test/MDHistoToWorkspace2DTest.h b/Framework/SINQ/test/MDHistoToWorkspace2DTest.h
index 3a3c2a3b330a75923cdc77dd43eb6a1a4a8e54ef..f23e72b2f61a3c55b8f80c02b650babc14315e2e 100644
--- a/Framework/SINQ/test/MDHistoToWorkspace2DTest.h
+++ b/Framework/SINQ/test/MDHistoToWorkspace2DTest.h
@@ -10,6 +10,7 @@
#include "MantidKernel/Property.h"
#include "MantidKernel/cow_ptr.h"
#include "MantidDataObjects/MDHistoWorkspace.h"
+#include <numeric>
using namespace Mantid::API;
using namespace Mantid::Geometry;
@@ -45,12 +46,9 @@ public:
AnalysisDataService::Instance().retrieveWS<MatrixWorkspace>(
outputSpace);
TS_ASSERT_EQUALS(data->getNumberHistograms(), 12000);
- MantidVec &X = data->dataX(0);
- MantidVec &Y = data->dataY(0);
- double dSum = .0;
- for (size_t i = 0; i < Y.size(); i++) {
- dSum += Y[i];
- }
+ const auto &X = data->x(0);
+ const auto &Y = data->y(0);
+ double dSum = std::accumulate(Y.cbegin(), Y.cend(), 0.);
TS_ASSERT_EQUALS(dSum, 200);
// test X
diff --git a/Framework/SINQ/test/PoldiAnalyseResidualsTest.h b/Framework/SINQ/test/PoldiAnalyseResidualsTest.h
index e935e38e54a12b3d6188478c599418196f6b1e51..9a694605e42d49a24a5a53de9892122b8202ede8 100644
--- a/Framework/SINQ/test/PoldiAnalyseResidualsTest.h
+++ b/Framework/SINQ/test/PoldiAnalyseResidualsTest.h
@@ -3,9 +3,9 @@
#include <cxxtest/TestSuite.h>
+#include "MantidAPI/FrameworkManager.h"
#include "MantidSINQ/PoldiAnalyseResiduals.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-#include "MantidAPI/FrameworkManager.h"
using namespace Mantid::Poldi;
using namespace Mantid::API;
@@ -64,10 +64,10 @@ public:
TS_ASSERT_THROWS_NOTHING(
alg.addValue(testWorkspace, 3.0, std::vector<int>(1, 0)));
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[0], 3.0);
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[1], 3.0);
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[0], 4.0);
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[1], 4.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], 3.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[1], 3.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[0], 4.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[1], 4.0);
TS_ASSERT_THROWS_ANYTHING(
alg.addValue(testWorkspace, 3.0, std::vector<int>(1, 3)));
@@ -85,18 +85,18 @@ public:
alg.calculateResidualWorkspace(measured, calculated));
Workspace2D_sptr residuals =
alg.calculateResidualWorkspace(measured, calculated);
- TS_ASSERT_EQUALS(residuals->readY(0)[0], -3.0);
- TS_ASSERT_EQUALS(residuals->readY(0)[1], -3.0);
- TS_ASSERT_EQUALS(residuals->readY(1)[0], -3.0);
- TS_ASSERT_EQUALS(residuals->readY(1)[1], -3.0);
+ TS_ASSERT_EQUALS(residuals->y(0)[0], -3.0);
+ TS_ASSERT_EQUALS(residuals->y(0)[1], -3.0);
+ TS_ASSERT_EQUALS(residuals->y(1)[0], -3.0);
+ TS_ASSERT_EQUALS(residuals->y(1)[1], -3.0);
TS_ASSERT_THROWS_NOTHING(
alg.calculateResidualWorkspace(calculated, measured));
residuals = alg.calculateResidualWorkspace(calculated, measured);
- TS_ASSERT_EQUALS(residuals->readY(0)[0], 3.0);
- TS_ASSERT_EQUALS(residuals->readY(0)[1], 3.0);
- TS_ASSERT_EQUALS(residuals->readY(1)[0], 3.0);
- TS_ASSERT_EQUALS(residuals->readY(1)[1], 3.0);
+ TS_ASSERT_EQUALS(residuals->y(0)[0], 3.0);
+ TS_ASSERT_EQUALS(residuals->y(0)[1], 3.0);
+ TS_ASSERT_EQUALS(residuals->y(1)[0], 3.0);
+ TS_ASSERT_EQUALS(residuals->y(1)[1], 3.0);
}
void testNormalizeResiduals() {
@@ -108,12 +108,12 @@ public:
alg.normalizeResiduals(testWorkspace, std::vector<int>(1, 1)));
// nothing happens here
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[0], 2.0);
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[1], 2.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], 2.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[1], 2.0);
// but here, because 1 is a valid workspace index
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[0], 0.0);
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[1], 0.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[0], 0.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[1], 0.0);
}
void testRelativeCountChange() {
@@ -138,10 +138,10 @@ public:
Workspace2D_sptr sum = alg.addWorkspaces(lhs, rhs);
- TS_ASSERT_EQUALS(sum->readY(0)[0], 0.0);
- TS_ASSERT_EQUALS(sum->readY(0)[1], 0.0);
- TS_ASSERT_EQUALS(sum->readY(1)[0], 2.0);
- TS_ASSERT_EQUALS(sum->readY(1)[1], 2.0);
+ TS_ASSERT_EQUALS(sum->y(0)[0], 0.0);
+ TS_ASSERT_EQUALS(sum->y(0)[1], 0.0);
+ TS_ASSERT_EQUALS(sum->y(1)[0], 2.0);
+ TS_ASSERT_EQUALS(sum->y(1)[1], 2.0);
}
void testRelativeChangeIsLargerThanLimit() {
diff --git a/Framework/SINQ/test/PoldiAutoCorrelationCoreTest.h b/Framework/SINQ/test/PoldiAutoCorrelationCoreTest.h
index e42039031d523c569a22b7e207869f8a9dfcfedd..b18ec43d4273329ee1735ff08535769e7d8aca7e 100644
--- a/Framework/SINQ/test/PoldiAutoCorrelationCoreTest.h
+++ b/Framework/SINQ/test/PoldiAutoCorrelationCoreTest.h
@@ -7,15 +7,15 @@
#include "MantidSINQ/PoldiUtilities/PoldiAutoCorrelationCore.h"
-#include "MantidSINQ/PoldiUtilities/PoldiAbstractDetector.h"
#include "MantidSINQ/PoldiUtilities/PoldiAbstractChopper.h"
-#include "MantidSINQ/PoldiUtilities/PoldiDeadWireDecorator.h"
+#include "MantidSINQ/PoldiUtilities/PoldiAbstractDetector.h"
#include "MantidSINQ/PoldiUtilities/PoldiDGrid.h"
+#include "MantidSINQ/PoldiUtilities/PoldiDeadWireDecorator.h"
#include "MantidDataObjects/TableWorkspace.h"
-#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidDataObjects/Workspace2D.h"
+#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
@@ -323,14 +323,14 @@ public:
TS_ASSERT_EQUALS(output->getNumberHistograms(), 1);
- const MantidVec &qValues = output->readX(0);
+ const auto &qValues = output->x(0);
// qvalues should be reversed.
TS_ASSERT_EQUALS(qValues[0], Conversions::dToQ(dValues[3]));
TS_ASSERT_EQUALS(qValues[1], Conversions::dToQ(dValues[2]));
TS_ASSERT_EQUALS(qValues[2], Conversions::dToQ(dValues[1]));
TS_ASSERT_EQUALS(qValues[3], Conversions::dToQ(dValues[0]));
- const MantidVec &outputIntensities = output->readY(0);
+ const auto &outputIntensities = output->y(0);
// intensities are not reversed, they should be reversed already.
TS_ASSERT_EQUALS(outputIntensities[0], intensities[0]);
TS_ASSERT_EQUALS(outputIntensities[1], intensities[1]);
diff --git a/Framework/SINQ/test/PoldiFitPeaks2DTest.h b/Framework/SINQ/test/PoldiFitPeaks2DTest.h
index 7d8ae7847115a19590b94ed985d9a5b8f1c542d3..876e42e3aaf450bd2b08abfd46395e288c3341c7 100644
--- a/Framework/SINQ/test/PoldiFitPeaks2DTest.h
+++ b/Framework/SINQ/test/PoldiFitPeaks2DTest.h
@@ -3,20 +3,23 @@
#include <cxxtest/TestSuite.h>
-#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/AlgorithmManager.h"
+#include "MantidAPI/FrameworkManager.h"
#include "MantidKernel/Matrix.h"
+#include "MantidHistogramData/LinearGenerator.h"
#include "MantidSINQ/PoldiFitPeaks2D.h"
-#include "MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h"
#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
+#include "MantidSINQ/PoldiUtilities/PoldiSpectrumDomainFunction.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::Poldi;
using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::Kernel;
+using Mantid::HistogramData::BinEdges;
+using Mantid::HistogramData::LinearGenerator;
class PoldiFitPeaks2DTest : public CxxTest::TestSuite {
public:
@@ -60,10 +63,7 @@ public:
void testSetDeltaTFromWorkspace() {
MatrixWorkspace_sptr ws = WorkspaceCreationHelper::create2DWorkspace(1, 10);
- for (size_t i = 0; i <= 10; ++i) {
- ws->dataX(0)[i] = static_cast<double>(i);
- }
-
+ ws->setBinEdges(0, BinEdges(ws->x(0).size(), LinearGenerator(0, 1)));
TestablePoldiFitPeaks2D spectrumCalculator;
spectrumCalculator.setDeltaTFromWorkspace(ws);
TS_ASSERT_EQUALS(spectrumCalculator.m_deltaT, 1.0);
diff --git a/Framework/SINQ/test/PoldiResidualCorrelationCoreTest.h b/Framework/SINQ/test/PoldiResidualCorrelationCoreTest.h
index bfefe641186bd9b64342979b15c9a865de32520c..cd7fdf5d3e1845c2e6f5a1ba3039447b11fed864 100644
--- a/Framework/SINQ/test/PoldiResidualCorrelationCoreTest.h
+++ b/Framework/SINQ/test/PoldiResidualCorrelationCoreTest.h
@@ -5,8 +5,8 @@
#include "MantidSINQ/PoldiUtilities/PoldiResidualCorrelationCore.h"
-#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidDataObjects/Workspace2D.h"
+#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace Mantid::Poldi;
@@ -40,7 +40,7 @@ public:
// test data with all 0s except (0, 0) - it's -1.0
Mantid::DataObjects::Workspace2D_sptr testWorkspace =
WorkspaceCreationHelper::create2DWorkspaceWhereYIsWorkspaceIndex(2, 2);
- testWorkspace->dataY(0)[0] = -1.0;
+ testWorkspace->mutableY(0)[0] = -1.0;
core.setNormCountData(testWorkspace);
@@ -66,11 +66,11 @@ public:
WorkspaceCreationHelper::create2DWorkspaceWhereYIsWorkspaceIndex(2, 2);
core.setCountData(testWorkspace);
- TS_ASSERT_EQUALS(testWorkspace->dataY(0)[0], 0.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], 0.0);
core.addToCountData(0, 0, 23.0);
- TS_ASSERT_EQUALS(testWorkspace->dataY(0)[0], 23.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], 23.0);
core.addToCountData(0, 0, 23.0);
- TS_ASSERT_EQUALS(testWorkspace->dataY(0)[0], 46.0);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], 46.0);
}
void testCalculateCorrelationBackground() {
@@ -108,10 +108,10 @@ public:
// subtracted from all counts.
core.correctCountData();
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[0], -0.5);
- TS_ASSERT_EQUALS(testWorkspace->readY(0)[1], -0.5);
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[0], 0.5);
- TS_ASSERT_EQUALS(testWorkspace->readY(1)[1], 0.5);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[0], -0.5);
+ TS_ASSERT_EQUALS(testWorkspace->y(0)[1], -0.5);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[0], 0.5);
+ TS_ASSERT_EQUALS(testWorkspace->y(1)[1], 0.5);
}
void testCalculateAverage() {
diff --git a/Framework/SINQ/test/PoldiSpectrumConstantBackgroundTest.h b/Framework/SINQ/test/PoldiSpectrumConstantBackgroundTest.h
index 099dc86190fd48005e95136bcbf061c1825fb4f9..469bec1b5068364ce06a7edccd5cafd0b2df3a0d 100644
--- a/Framework/SINQ/test/PoldiSpectrumConstantBackgroundTest.h
+++ b/Framework/SINQ/test/PoldiSpectrumConstantBackgroundTest.h
@@ -42,7 +42,7 @@ public:
TS_ASSERT_THROWS_NOTHING(function->setWorkspace(ws));
function->setParameter(0, 10.0);
- FunctionDomain1DVector domain(ws->readX(0));
+ FunctionDomain1DVector domain(ws->x(0).rawData());
FunctionValues values(domain);
function->function(domain, values);
diff --git a/Framework/SINQ/test/PoldiTruncateDataTest.h b/Framework/SINQ/test/PoldiTruncateDataTest.h
index 6a4fe84a6ce60d11bc10e37b62c7412f409d880d..1d3a77bffd48e675796d2eb7f96dc1f359f73e4f 100644
--- a/Framework/SINQ/test/PoldiTruncateDataTest.h
+++ b/Framework/SINQ/test/PoldiTruncateDataTest.h
@@ -8,13 +8,16 @@
#include "MantidSINQ/PoldiUtilities/PoldiMockInstrumentHelpers.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
-#include "MantidAPI/FrameworkManager.h"
#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/FrameworkManager.h"
+#include "MantidHistogramData/LinearGenerator.h"
using namespace Mantid::Poldi;
using namespace Mantid::API;
using ::testing::Return;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::LinearGenerator;
class PoldiTruncateDataTest : public CxxTest::TestSuite {
public:
@@ -174,7 +177,7 @@ public:
// number of histograms does not change
TS_ASSERT_EQUALS(cropped->getNumberHistograms(), 1);
- const std::vector<double> &xData = cropped->readX(0);
+ const auto &xData = cropped->x(0);
TS_ASSERT_EQUALS(xData.size(), 500);
@@ -204,7 +207,7 @@ public:
// number of histograms does not change
TS_ASSERT_EQUALS(cropped->getNumberHistograms(), 1);
- const std::vector<double> &xData = cropped->readX(0);
+ const auto &xData = cropped->x(0);
TS_ASSERT_EQUALS(xData.size(), 100);
@@ -223,7 +226,7 @@ public:
MatrixWorkspace_sptr below = truncate.getWorkspaceBelowX(workspace, 1497.0);
- const std::vector<double> &x = below->readX(0);
+ const auto &x = below->x(0);
TS_ASSERT_EQUALS(x.size(), 500);
TS_ASSERT_EQUALS(x.front(), 0.0);
@@ -236,7 +239,7 @@ public:
MatrixWorkspace_sptr above = truncate.getWorkspaceAboveX(workspace, 1500.0);
- const std::vector<double> &x = above->readX(0);
+ const auto &x = above->x(0);
TS_ASSERT_EQUALS(x.size(), 100);
TS_ASSERT_EQUALS(x.front(), 1500.0);
@@ -252,8 +255,8 @@ public:
TS_ASSERT_EQUALS(summed->getNumberHistograms(), 1);
// since all y-values are 2.0, the sum should be 10 * 2.0
- TS_ASSERT_EQUALS(summed->readY(0).front(), 20.0);
- TS_ASSERT_EQUALS(summed->readY(0).back(), 20.0);
+ TS_ASSERT_EQUALS(summed->y(0).front(), 20.0);
+ TS_ASSERT_EQUALS(summed->y(0).back(), 20.0);
}
void testGetCropAlgorithmForWorkspace() {
@@ -287,18 +290,13 @@ private:
MatrixWorkspace_sptr getProperWorkspaceWithXValues(size_t histograms,
size_t binCount,
double spacing) {
- std::vector<double> xValues(binCount);
- for (size_t i = 0; i < binCount; ++i) {
- xValues[i] = static_cast<double>(i) * spacing;
- }
+ Points xValues(binCount, LinearGenerator(0, spacing));
MatrixWorkspace_sptr workspace =
WorkspaceCreationHelper::create2DWorkspace123(histograms, binCount);
- for (size_t i = 0; i < histograms; ++i) {
- std::vector<double> &xData = workspace->dataX(i);
- xData.assign(xValues.begin(), xValues.end());
- }
+ for (size_t i = 0; i < histograms; ++i)
+ workspace->setPoints(i, xValues);
return workspace;
}
diff --git a/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp b/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
index d7f07bd6724b72474b783c5698ba1b1738b26ac7..32887532c4c9330edad99480b96fb126682b577c 100644
--- a/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
+++ b/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
@@ -112,9 +112,8 @@ Workspace2D_sptr create1DWorkspaceRand(int size, bool isHisto) {
Counts counts(size, randFunc);
CountStandardDeviations errorVals(size, randFunc);
- auto generatedHisto = createHisto(isHisto, counts, errorVals);
auto retVal = boost::make_shared<Workspace2D>();
- retVal->initialize(1, std::move(generatedHisto));
+ retVal->initialize(1, createHisto(isHisto, counts, errorVals));
return retVal;
}
@@ -122,10 +121,9 @@ Workspace2D_sptr create1DWorkspaceConstant(int size, double value, double error,
bool isHisto) {
Counts yVals(size, value);
CountStandardDeviations errVals(size, error);
- auto generatedHisto = createHisto(isHisto, yVals, errVals);
auto retVal = boost::make_shared<Workspace2D>();
- retVal->initialize(1, std::move(generatedHisto));
+ retVal->initialize(1, createHisto(isHisto, yVals, errVals));
return retVal;
}
@@ -144,9 +142,8 @@ Workspace2D_sptr create1DWorkspaceFib(int size, bool isHisto) {
Counts yVals(size, FibSeries<double>());
CountStandardDeviations errVals(size);
- auto generatedHisto = createHisto(isHisto, yVals, errVals);
auto retVal = boost::make_shared<Workspace2D>();
- retVal->initialize(1, std::move(generatedHisto));
+ retVal->initialize(1, createHisto(isHisto, yVals, errVals));
return retVal;
}
diff --git a/Framework/WorkflowAlgorithms/src/RefReduction.cpp b/Framework/WorkflowAlgorithms/src/RefReduction.cpp
index 6fe15811a44b297e6b80f234102d715163f5587b..c5a638f407335dbdfe447c093b80557c2f2604b1 100644
--- a/Framework/WorkflowAlgorithms/src/RefReduction.cpp
+++ b/Framework/WorkflowAlgorithms/src/RefReduction.cpp
@@ -554,7 +554,7 @@ IEventWorkspace_sptr RefReduction::loadData(const std::string dataRun,
double tofMin = getProperty("TOFMin");
double tofMax = getProperty("TOFMax");
if (isEmpty(tofMin) || isEmpty(tofMax)) {
- const MantidVec &x = rawWS->readX(0);
+ const auto &x = rawWS->x(0);
if (isEmpty(tofMin))
tofMin = *std::min_element(x.begin(), x.end());
if (isEmpty(tofMax))
@@ -599,7 +599,7 @@ IEventWorkspace_sptr RefReduction::loadData(const std::string dataRun,
convAlg->executeAsChildAlg();
// Rebin in wavelength
- const MantidVec &x = outputWS->readX(0);
+ const auto &x = outputWS->x(0);
double wlMin = *std::min_element(x.begin(), x.end());
double wlMax = *std::max_element(x.begin(), x.end());
diff --git a/Framework/WorkflowAlgorithms/src/RefRoi.cpp b/Framework/WorkflowAlgorithms/src/RefRoi.cpp
index 83cf7adbeb221270c48b3856826d8a56042d9a52..e451e3f1e46ff5bed7355b81f2203ae13eb578a0 100644
--- a/Framework/WorkflowAlgorithms/src/RefRoi.cpp
+++ b/Framework/WorkflowAlgorithms/src/RefRoi.cpp
@@ -132,11 +132,11 @@ void RefRoi::extract2D() {
// Create output workspace
MatrixWorkspace_sptr outputWS = WorkspaceFactory::Instance().create(
- inputWS, nHisto, inputWS->readX(0).size(), inputWS->blocksize());
+ inputWS, nHisto, inputWS->x(0).size(), inputWS->blocksize());
// Process X axis
- MantidVec &XOut0 = outputWS->dataX(0);
- const MantidVec &XIn0 = inputWS->readX(0);
+ auto &XOut0 = outputWS->mutableX(0);
+ const auto &XIn0 = inputWS->x(0);
if (convert_to_q) {
// Check that the X-axis is in wavelength units
const std::string unit = inputWS->getAxis(0)->unit()->caption();
@@ -155,7 +155,7 @@ void RefRoi::extract2D() {
outputWS->setYUnitLabel("Reflectivity");
outputWS->setDistribution(true);
} else {
- XOut0 = inputWS->readX(0);
+ outputWS->setSharedX(0, inputWS->sharedX(0));
}
// Make sure the inner loop is always the one we integrate over
@@ -165,28 +165,28 @@ void RefRoi::extract2D() {
int integrated_axis_max = integrate_y ? ymax : xmax;
for (int i = main_axis_min; i <= main_axis_max; i++) {
- size_t output_index = i;
- if (sum_pixels)
- output_index = 0;
+ size_t output_index = (sum_pixels) ? 0 : i;
- MantidVec &YOut = outputWS->dataY(output_index);
- MantidVec &EOut = outputWS->dataE(output_index);
+ auto &YOut = outputWS->mutableY(output_index);
+ auto &EOut = outputWS->mutableE(output_index);
MantidVec signal_vector(YOut.size(), 0.0);
MantidVec error_vector(YOut.size(), 0.0);
for (int j = integrated_axis_min; j <= integrated_axis_max; j++) {
int index = integrate_y ? m_nYPixel * i + j : m_nYPixel * j + i;
- const MantidVec &YIn = inputWS->readY(index);
- const MantidVec &EIn = inputWS->readE(index);
+ const auto &YIn = inputWS->y(index);
+ const auto &EIn = inputWS->e(index);
for (size_t t = 0; t < YOut.size(); t++) {
size_t t_index = convert_to_q ? YOut.size() - 1 - t : t;
+ const double YInValue = YIn[t_index];
+ const double EInValue = EIn[t_index];
if (sum_pixels && normalize && error_weighting) {
- signal_vector[t] += YIn[t_index];
- error_vector[t] += EIn[t_index] * EIn[t_index];
+ signal_vector[t] += YInValue;
+ error_vector[t] += EInValue * EInValue;
} else {
- YOut[t] += YIn[t_index];
- EOut[t] += EIn[t_index] * EIn[t_index];
+ YOut[t] += YInValue;
+ EOut[t] += EInValue * EInValue;
}
}
}
@@ -211,9 +211,9 @@ void RefRoi::extract2D() {
}
for (int i = 0; i < nHisto; i++) {
- outputWS->dataX(i) = XOut0;
- MantidVec &YOut = outputWS->dataY(i);
- MantidVec &EOut = outputWS->dataE(i);
+ outputWS->setSharedX(i, outputWS->sharedX(0));
+ auto &YOut = outputWS->mutableY(i);
+ auto &EOut = outputWS->mutableE(i);
for (size_t t = 0; t < EOut.size(); t++) {
if (sum_pixels && normalize) {
if (error_weighting) {
diff --git a/Framework/WorkflowAlgorithms/src/SANSSolidAngleCorrection.cpp b/Framework/WorkflowAlgorithms/src/SANSSolidAngleCorrection.cpp
index f6bd3f6a6204b67661b51bbc52bba60d731fc0ab..e978d8eb7de935e341f982d001bce84060890951 100644
--- a/Framework/WorkflowAlgorithms/src/SANSSolidAngleCorrection.cpp
+++ b/Framework/WorkflowAlgorithms/src/SANSSolidAngleCorrection.cpp
@@ -7,7 +7,6 @@
#include "MantidAPI/WorkspaceUnitValidator.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/EventList.h"
-#include "MantidDataObjects/TableWorkspace.h"
#include "MantidKernel/CompositeValidator.h"
#include "MantidKernel/PropertyManager.h"
@@ -99,13 +98,13 @@ void SANSSolidAngleCorrection::exec() {
Progress progress(this, 0.0, 1.0, numHists);
// Number of X bins
- const int xLength = static_cast<int>(inputWS->readY(0).size());
+ const int xLength = static_cast<int>(inputWS->y(0).size());
const auto &spectrumInfo = inputWS->spectrumInfo();
PARALLEL_FOR_IF(Kernel::threadSafe(*outputWS, *inputWS))
for (int i = 0; i < numHists; ++i) {
PARALLEL_START_INTERUPT_REGION
- outputWS->dataX(i) = inputWS->readX(i);
+ outputWS->setSharedX(i, inputWS->sharedX(i));
if (!spectrumInfo.hasDetectors(i)) {
g_log.warning() << "Workspace index " << i
@@ -117,11 +116,11 @@ void SANSSolidAngleCorrection::exec() {
if (spectrumInfo.isMonitor(i) || spectrumInfo.isMasked(i))
continue;
- const MantidVec &YIn = inputWS->readY(i);
- const MantidVec &EIn = inputWS->readE(i);
+ const auto &YIn = inputWS->y(i);
+ const auto &EIn = inputWS->e(i);
- MantidVec &YOut = outputWS->dataY(i);
- MantidVec &EOut = outputWS->dataE(i);
+ auto &YOut = outputWS->mutableY(i);
+ auto &EOut = outputWS->mutableE(i);
// Compute solid angle correction factor
const bool is_tube = getProperty("DetectorTubes");
diff --git a/MantidPlot/make_package.rb.in b/MantidPlot/make_package.rb.in
index b7769a6de8cf85be14cdf2cb849a33ad8e0b7c34..e32fbd98f748e65ae22598a709ded4853d9bb6e5 100755
--- a/MantidPlot/make_package.rb.in
+++ b/MantidPlot/make_package.rb.in
@@ -197,6 +197,7 @@ if( "@MAKE_VATES@" == "ON" )
"Contents/Libraries/vtkParaViewWebCorePython.so",
"Contents/Libraries/vtkPVAnimationPython.so",
"Contents/Libraries/vtkPVCatalystPython.so",
+ "Contents/Libraries/vtkPVCinemaReaderPython.so",
"Contents/Libraries/vtkPVClientServerCoreDefaultPython.so",
"Contents/Libraries/vtkPVClientServerCoreRenderingPython.so",
"Contents/Libraries/vtkPVPythonCatalystPython.so",
diff --git a/MantidPlot/src/ApplicationWindow.cpp b/MantidPlot/src/ApplicationWindow.cpp
index 7699706ae42aa516d380536c6ebd8ece9d624ee4..50ba903d87fe7e6e81217dc978288421f800d490 100644
--- a/MantidPlot/src/ApplicationWindow.cpp
+++ b/MantidPlot/src/ApplicationWindow.cpp
@@ -5338,6 +5338,8 @@ void ApplicationWindow::readSettings() {
settings.endGroup();
settings.endGroup();
// END Mantid Muon interface one time only change
+
+ emit configModified();
}
void ApplicationWindow::saveSettings() {
diff --git a/MantidPlot/src/ApplicationWindow.h b/MantidPlot/src/ApplicationWindow.h
index ba2c89e9e98a77206ed0763219c5d382486f34df..b1a274f27167744bc8b52030723fbb7775f4f6a6 100644
--- a/MantidPlot/src/ApplicationWindow.h
+++ b/MantidPlot/src/ApplicationWindow.h
@@ -1123,6 +1123,7 @@ public slots:
signals:
void modified();
void shutting_down();
+ void configModified();
protected:
bool event(QEvent *e) override;
diff --git a/MantidPlot/src/ConfigDialog.cpp b/MantidPlot/src/ConfigDialog.cpp
index f30837b4dd25b2f05baa0af6c0b0d6b76363084a..51470dde9dc2ba1e693c72d93424340a56bc4a43 100644
--- a/MantidPlot/src/ConfigDialog.cpp
+++ b/MantidPlot/src/ConfigDialog.cpp
@@ -2690,6 +2690,7 @@ void ConfigDialog::apply() {
// MD Plotting
updateMdPlottingSettings();
+ emit app->configModified();
}
/**
diff --git a/MantidPlot/src/FunctionCurve.cpp b/MantidPlot/src/FunctionCurve.cpp
index 6ce438adc963976b15111b3b48163bf9868342ca..e9e35b07d47cd3afddbba23915534a484f9c0b50 100644
--- a/MantidPlot/src/FunctionCurve.cpp
+++ b/MantidPlot/src/FunctionCurve.cpp
@@ -36,8 +36,6 @@
#include <MantidAPI/IFunction.h>
#include <MantidAPI/MatrixWorkspace.h>
-#include <QMessageBox>
-
FunctionCurve::FunctionCurve(const QString &name)
: PlotCurve(name), d_function_type(Normal), d_variable("x"), d_formulas(),
d_from(0.0), d_to(0.0), m_identifier(NULL) {
@@ -141,36 +139,23 @@ void FunctionCurve::loadData(int points) {
if (wsIndex >= static_cast<int>(ws->getNumberHistograms()))
return;
- const Mantid::MantidVec &wsX = ws->readX(wsIndex);
+ const auto &wsXPoints = ws->points(wsIndex);
- if (d_from < wsX.front()) {
- d_from = wsX.front();
- }
- if (d_to > wsX.back()) {
- d_to = wsX.back();
- }
+ if (d_from < wsXPoints.front())
+ d_from = wsXPoints.front();
+ if (d_to > wsXPoints.back())
+ d_to = wsXPoints.back();
std::vector<double> X;
- X.reserve(static_cast<int>(wsX.size()));
-
- if (ws->isHistogramData()) {
- for (int i = 0; i < static_cast<int>(ws->blocksize()) - 1; i++) {
- double x = (wsX[i] + wsX[i + 1]) / 2;
- if (x < d_from)
- continue;
- if (x > d_to)
- break;
- X.push_back(x);
- }
- } else {
- for (int i = 0; i < static_cast<int>(ws->blocksize()); i++) {
- double x = wsX[i];
- if (x < d_from)
- continue;
- if (x > d_to)
- break;
- X.push_back(x);
- }
+ X.reserve(wsXPoints.size());
+
+ for (int i = 0; i < static_cast<int>(ws->blocksize()); i++) {
+ const double x = wsXPoints[i];
+ if (x < d_from)
+ continue;
+ if (x > d_to)
+ break;
+ X.push_back(x);
}
// Create the function and initialize it using fnInput which was saved in
@@ -271,36 +256,23 @@ void FunctionCurve::loadMantidData(Mantid::API::MatrixWorkspace_const_sptr ws,
if (wi >= ws->getNumberHistograms())
return;
- const Mantid::MantidVec &wsX = ws->readX(wi);
+ const auto &wsXPoints = ws->points(wi);
- if (d_from < wsX.front()) {
- d_from = wsX.front();
- }
- if (d_to > wsX.back()) {
- d_to = wsX.back();
- }
+ if (d_from < wsXPoints.front())
+ d_from = wsXPoints.front();
+ if (d_to > wsXPoints.back())
+ d_to = wsXPoints.back();
std::vector<double> X;
- X.reserve(wsX.size());
-
- if (ws->isHistogramData()) {
- for (size_t i = 0; i < ws->blocksize() - 1; i++) {
- double x = (wsX[i] + wsX[i + 1]) / 2;
- if (x < d_from)
- continue;
- if (x > d_to)
- break;
- X.push_back(x);
- }
- } else {
- for (size_t i = 0; i < ws->blocksize(); i++) {
- double x = wsX[i];
- if (x < d_from)
- continue;
- if (x > d_to)
- break;
- X.push_back(x);
- }
+ X.reserve(wsXPoints.size());
+
+ for (int i = 0; i < static_cast<int>(ws->blocksize()); i++) {
+ const double x = wsXPoints[i];
+ if (x < d_from)
+ continue;
+ if (x > d_to)
+ break;
+ X.push_back(x);
}
// Create the function and initialize it using fnInput which was saved in
diff --git a/MantidPlot/src/Mantid/AlgorithmDockWidget.cpp b/MantidPlot/src/Mantid/AlgorithmDockWidget.cpp
index 45610917d9e07426ac20a8876d3ba08d402b396a..002374cd4f09c436eb626efc2363bc163c6fea3f 100644
--- a/MantidPlot/src/Mantid/AlgorithmDockWidget.cpp
+++ b/MantidPlot/src/Mantid/AlgorithmDockWidget.cpp
@@ -25,8 +25,10 @@ AlgorithmDockWidget::AlgorithmDockWidget(MantidUI *mui, ApplicationWindow *w)
m_runningLayout->setObjectName("testA");
m_runningButton = new QPushButton("Details");
+ m_runningButton->setToolTip("Show details or cancel running algorithms");
m_runningLayout->addStretch();
m_runningLayout->addWidget(m_runningButton);
+ updateDetailsButton();
connect(m_runningButton, SIGNAL(clicked()), m_mantidUI,
SLOT(showAlgMonitor()));
@@ -51,7 +53,10 @@ void AlgorithmDockWidget::updateProgress(void *alg, const double p,
int progressPrecision) {
if (m_algID.empty())
return;
- if (alg == m_algID.first() && p >= 0 && p <= 100 && m_progressBar) {
+ if (alg == m_algID.first() && p >= 0 && p <= 100) {
+ if (!m_progressBar) {
+ showProgressBar();
+ }
m_progressBar->setValue(static_cast<int>(p));
// Make the progress string
std::ostringstream mess;
@@ -79,17 +84,31 @@ void AlgorithmDockWidget::updateProgress(void *alg, const double p,
}
}
+void AlgorithmDockWidget::updateDetailsButton() const {
+ std::ostringstream mess;
+ if (m_algID.size() > 0) {
+ mess << "Running " << m_algID.size();
+ m_runningButton->setDisabled(false);
+ } else {
+ mess << "Idle";
+ m_runningButton->setDisabled(true);
+ }
+ m_runningButton->setText(QString::fromStdString(mess.str()));
+}
+
void AlgorithmDockWidget::algorithmStarted(void *alg) {
m_algID.push_front(alg);
- hideProgressBar();
+ updateDetailsButton();
+ hideProgressBar(m_algID.first());
showProgressBar();
}
void AlgorithmDockWidget::algorithmFinished(void *alg) {
if (m_algID.empty())
return;
+ hideProgressBar(alg);
m_algID.removeAll(alg);
- hideProgressBar();
+ updateDetailsButton();
}
void AlgorithmDockWidget::showProgressBar() {
@@ -103,8 +122,10 @@ void AlgorithmDockWidget::showProgressBar() {
}
}
-void AlgorithmDockWidget::hideProgressBar() {
- if (m_progressBar && m_algID.empty()) {
+void AlgorithmDockWidget::hideProgressBar(void *alg) {
+ if (m_algID.empty())
+ return;
+ if (m_progressBar && (alg == m_algID.first())) {
m_runningLayout->insertStretch(0);
m_runningLayout->removeWidget(m_progressBar);
m_progressBar->close();
diff --git a/MantidPlot/src/Mantid/AlgorithmDockWidget.h b/MantidPlot/src/Mantid/AlgorithmDockWidget.h
index db309d63cba217676337d37ca27770f94af09c46..11899e51334a1b021e81b665a20a5fe725b2f784 100644
--- a/MantidPlot/src/Mantid/AlgorithmDockWidget.h
+++ b/MantidPlot/src/Mantid/AlgorithmDockWidget.h
@@ -23,7 +23,8 @@ public slots:
protected:
void showProgressBar();
- void hideProgressBar();
+ void hideProgressBar(void *alg);
+ void updateDetailsButton() const;
MantidQt::MantidWidgets::AlgorithmSelectorWidget *m_selector;
QPushButton *m_runningButton;
diff --git a/MantidPlot/src/Mantid/AlgorithmMonitor.cpp b/MantidPlot/src/Mantid/AlgorithmMonitor.cpp
index 3ebd21d1fd3f40616821e351ff71f54bfbb1d4ec..8e406926ba5b9ba170d3d800ffce7dab0f178634 100644
--- a/MantidPlot/src/Mantid/AlgorithmMonitor.cpp
+++ b/MantidPlot/src/Mantid/AlgorithmMonitor.cpp
@@ -206,6 +206,9 @@ void MonitorDlg::update() {
itr != iend; ++itr) {
IAlgorithm_sptr alg =
Mantid::API::AlgorithmManager::Instance().getAlgorithm(*itr);
+ if (!alg) {
+ continue;
+ }
// m_algorithms << alg;
QStringList iList;
iList << QString::fromStdString(alg->name());
diff --git a/MantidPlot/src/Mantid/MantidMatrix.cpp b/MantidPlot/src/Mantid/MantidMatrix.cpp
index c29f3bb0a53b5783c8a0dcd3e71760c4dc1b9917..abac392bf331cc0595d3030c593a710eb39d3a74 100644
--- a/MantidPlot/src/Mantid/MantidMatrix.cpp
+++ b/MantidPlot/src/Mantid/MantidMatrix.cpp
@@ -530,31 +530,34 @@ void MantidMatrix::goToColumn(int col) {
}
double MantidMatrix::dataX(int row, int col) const {
- if (!m_workspace || row >= numRows() ||
- col >= static_cast<int>(m_workspace->readX(row + m_startRow).size()))
+ const auto &x = m_workspace->x(row + m_startRow);
+ if (!m_workspace || row >= numRows() || col >= static_cast<int>(x.size()))
return 0.;
- double res = m_workspace->readX(row + m_startRow)[col];
+ double res = x[col];
return res;
}
double MantidMatrix::dataY(int row, int col) const {
+ const auto &y = m_workspace->y(row + m_startRow);
if (!m_workspace || row >= numRows() || col >= numCols())
return 0.;
- double res = m_workspace->readY(row + m_startRow)[col];
+ double res = y[col];
return res;
}
double MantidMatrix::dataE(int row, int col) const {
+ const auto &e = m_workspace->e(row + m_startRow);
if (!m_workspace || row >= numRows() || col >= numCols())
return 0.;
- double res = m_workspace->readE(row + m_startRow)[col];
+ double res = e[col];
return res;
}
double MantidMatrix::dataDx(int row, int col) const {
+ const auto &dx = m_workspace->dx(row + m_startRow);
if (!m_workspace || row >= numRows() || col >= numCols())
return 0.;
- double res = m_workspace->readDx(row + m_startRow)[col];
+ double res = dx[col];
return res;
}
@@ -578,9 +581,9 @@ QwtDoubleRect MantidMatrix::boundingRect() {
int i0 = m_startRow;
x_start = x_end = 0;
while (x_start == x_end && i0 <= m_endRow) {
- const Mantid::MantidVec &X = m_workspace->readX(i0);
+ const auto &X = m_workspace->x(i0);
x_start = X[0];
- if (X.size() != m_workspace->readY(i0).size())
+ if (X.size() != m_workspace->y(i0).size())
x_end = X[m_workspace->blocksize()];
else
x_end = X[m_workspace->blocksize() - 1];
@@ -596,8 +599,8 @@ QwtDoubleRect MantidMatrix::boundingRect() {
bool theSame = true;
double dx = 0.;
for (int i = i0; i <= m_endRow; ++i) {
- if (m_workspace->readX(i).front() != x_start ||
- m_workspace->readX(i).back() != x_end) {
+ const auto &X = m_workspace->x(i);
+ if (X.front() != x_start || X.back() != x_end) {
theSame = false;
break;
}
@@ -610,7 +613,7 @@ QwtDoubleRect MantidMatrix::boundingRect() {
// that can be plotted from this matrix
double ddx = dx;
for (int i = m_startRow + 1; i <= m_endRow; ++i) {
- const Mantid::MantidVec &X = m_workspace->readX(i);
+ const auto &X = m_workspace->x(i);
if (X.front() < x_start) {
double xs = X.front();
if (!std::isfinite(xs))
@@ -1139,7 +1142,7 @@ void findYRange(MatrixWorkspace_const_sptr ws, double &miny, double &maxy) {
PARALLEL_FOR_IF(Kernel::threadSafe(*ws))
for (int wi = 0; wi < static_cast<int>(ws->getNumberHistograms()); wi++) {
double local_min, local_max;
- const Mantid::MantidVec &Y = ws->readY(wi);
+ const auto &Y = ws->y(wi);
local_min = std::numeric_limits<double>::max();
local_max = -std::numeric_limits<double>::max();
diff --git a/MantidPlot/src/Mantid/MantidMatrixFunction.cpp b/MantidPlot/src/Mantid/MantidMatrixFunction.cpp
index 8e89ef09d3cfe77650fe4f510ee59bd48c40243a..78bb78f184bc19e8667a4825d62e368fa55e1fc3 100644
--- a/MantidPlot/src/Mantid/MantidMatrixFunction.cpp
+++ b/MantidPlot/src/Mantid/MantidMatrixFunction.cpp
@@ -71,7 +71,7 @@ double MantidMatrixFunction::operator()(double x, double y) {
size_t j = indexX(i, x);
if (j < columns())
- return m_workspace->readY(i)[j];
+ return m_workspace->y(i)[j];
else
return m_outside;
}
@@ -107,7 +107,7 @@ void MantidMatrixFunction::connectToViewer(QObject *viewer) {
}
double MantidMatrixFunction::value(size_t row, size_t col) const {
- return m_workspace->readY(row)[col];
+ return m_workspace->y(row)[col];
}
void MantidMatrixFunction::getRowYRange(size_t row, double &ymin,
@@ -139,19 +139,20 @@ void MantidMatrixFunction::getRowYRange(size_t row, double &ymin,
void MantidMatrixFunction::getRowXRange(int row, double &xmin,
double &xmax) const {
- const Mantid::MantidVec &X = m_workspace->readX(row);
+ const auto &X = m_workspace->x(row);
xmin = X[0];
xmax = X[X.size() - 1];
}
-const Mantid::MantidVec &MantidMatrixFunction::getMantidVec(int row) const {
- return m_workspace->readX(row);
+const Mantid::HistogramData::HistogramX &
+MantidMatrixFunction::getHistogramX(int row) const {
+ return m_workspace->x(row);
}
size_t MantidMatrixFunction::indexX(size_t row, double s) const {
size_t n = m_workspace->blocksize();
- const Mantid::MantidVec &X = m_workspace->readX(row);
+ const auto &X = m_workspace->x(row);
if (n == 0 || s < X[0] || s > X[n - 1])
return std::numeric_limits<size_t>::max();
diff --git a/MantidPlot/src/Mantid/MantidMatrixFunction.h b/MantidPlot/src/Mantid/MantidMatrixFunction.h
index f7e4f8c5eb34d84a332fb03a929d96efa72076a0..d47da242fb763196d77a58b8a96698eadf30f5e0 100644
--- a/MantidPlot/src/Mantid/MantidMatrixFunction.h
+++ b/MantidPlot/src/Mantid/MantidMatrixFunction.h
@@ -6,6 +6,7 @@
#include "MantidQtAPI/WorkspaceObserver.h"
#include "MantidKernel/cow_ptr.h"
+#include "MantidHistogramData/HistogramX.h"
#include <QPointer>
#include <vector>
@@ -67,7 +68,7 @@ public:
void getRowYRange(size_t row, double &ymin, double &ymax) const;
/// Return in xmin and xmax the inetrval the cell takes on the x axis
void getRowXRange(int row, double &xmin, double &xmax) const;
- const Mantid::MantidVec &getMantidVec(int row) const;
+ const Mantid::HistogramData::HistogramX &getHistogramX(int row) const;
private:
/* Private methods */
diff --git a/MantidPlot/src/Mantid/MantidMatrixModel.cpp b/MantidPlot/src/Mantid/MantidMatrixModel.cpp
index 88e71c41a5a0e34ed4bd293d5d32c7a3daad464f..bcfc249c0da661ca8ab104bd7d395fd71fd6499e 100644
--- a/MantidPlot/src/Mantid/MantidMatrixModel.cpp
+++ b/MantidPlot/src/Mantid/MantidMatrixModel.cpp
@@ -54,14 +54,19 @@ double MantidMatrixModel::data(int row, int col) const {
Mantid::Kernel::ReadLock _lock(*m_workspace);
double val;
- if (m_type == X) {
- val = m_workspace->readX(row + m_startRow)[col];
- } else if (m_type == Y) {
- val = m_workspace->readY(row + m_startRow)[col];
- } else if (m_type == E) {
- val = m_workspace->readE(row + m_startRow)[col];
- } else {
- val = m_workspace->readDx(row + m_startRow)[col];
+ switch (m_type) {
+ case X:
+ val = m_workspace->x(row + m_startRow)[col];
+ break;
+ case Y:
+ val = m_workspace->y(row + m_startRow)[col];
+ break;
+ case E:
+ val = m_workspace->e(row + m_startRow)[col];
+ break;
+ default:
+ val = m_workspace->dx(row + m_startRow)[col];
+ break;
}
return val;
}
@@ -142,7 +147,7 @@ QVariant MantidMatrixModel::headerData(int section, Qt::Orientation orientation,
// get bin centre value
double binCentreValue;
- const Mantid::MantidVec xVec = m_workspace->readX(0);
+ const auto &xVec = m_workspace->x(0);
if (m_workspace->isHistogramData()) {
if ((section + 1) >= static_cast<int>(xVec.size()))
return section;
diff --git a/MantidPlot/src/Mantid/MantidUI.cpp b/MantidPlot/src/Mantid/MantidUI.cpp
index 18145af771123d7e59874ecd2b94df59363aea1c..8a860f032e5248e1aa69e7accab249907d92e1f4 100644
--- a/MantidPlot/src/Mantid/MantidUI.cpp
+++ b/MantidPlot/src/Mantid/MantidUI.cpp
@@ -216,6 +216,8 @@ MantidUI::MantidUI(ApplicationWindow *aw)
m_exploreMantid = boost::make_shared<QWorkspaceDockView>(this, aw);
m_exploreMantid->init();
+ m_exploreMantid->enableDeletePrompt(
+ appWindow()->isDeleteWorkspacePromptEnabled());
m_exploreAlgorithms = new AlgorithmDockWidget(this, aw);
actionCopyRowToTable = new QAction(this);
@@ -284,14 +286,12 @@ MantidUI::MantidUI(ApplicationWindow *aw)
mantidMenu->setObjectName("mantidMenu");
mantidMenuAboutToShow();
- QShortcut *sc =
- new QShortcut(QKeySequence(QKeySequence::Delete), m_appWindow);
- connect(sc, SIGNAL(activated()), this, SLOT(deletePressEvent()));
-
menuMantidMatrix = new QMenu(m_appWindow);
connect(menuMantidMatrix, SIGNAL(aboutToShow()), this,
SLOT(menuMantidMatrixAboutToShow()));
+ connect(m_appWindow, SIGNAL(configModified(void)), this,
+ SLOT(configModified(void)));
init();
}
@@ -455,9 +455,15 @@ void MantidUI::deleteWorkspaces(const QStringList &wsNames) {
try {
if (!wsNames.isEmpty()) {
- for (auto &ws : wsNames) {
- deleteWorkspace(ws);
+ auto alg = createAlgorithm("DeleteWorkspaces");
+ alg->setLogging(false);
+ std::vector<std::string> vecWsNames;
+ vecWsNames.reserve(wsNames.size());
+ foreach (auto wsName, wsNames) {
+ vecWsNames.push_back(wsName.toStdString());
}
+ alg->setProperty("WorkspaceList", vecWsNames);
+ executeAlgorithmAsync(alg);
} else if ((m &&
(strcmp(m->metaObject()->className(), "MantidMatrix") == 0)) &&
!m->workspaceName().isEmpty()) {
@@ -1294,7 +1300,7 @@ Table *MantidUI::createDetectorTable(
QList<QVariant> &colValues = tableColValues[row];
size_t wsIndex = indices.empty() ? static_cast<size_t>(row) : indices[row];
colValues << QVariant(static_cast<double>(wsIndex));
- const double dataY0(ws->readY(wsIndex)[0]), dataE0(ws->readE(wsIndex)[0]);
+ const double dataY0(ws->y(wsIndex)[0]), dataE0(ws->e(wsIndex)[0]);
try {
auto &spectrum = ws->getSpectrum(wsIndex);
Mantid::specnum_t specNo = spectrum.getSpectrumNo();
@@ -2696,6 +2702,11 @@ void MantidUI::formatLogName(QString &label, const QString &wsName) {
}
}
+void MantidUI::configModified() {
+ m_exploreMantid->enableDeletePrompt(
+ appWindow()->isDeleteWorkspacePromptEnabled());
+}
+
std::string MantidUI::extractLogTime(Mantid::Kernel::DateAndTime value,
bool useAbsoluteDate,
Mantid::Kernel::DateAndTime start) {
@@ -2786,9 +2797,9 @@ Table *MantidUI::createTableFromSpectraList(const QString &tableName,
// t->askOnCloseEvent(false);
for (int i = 0; i < no_cols; i++) {
- const Mantid::MantidVec &dataX = workspace->readX(indexList[i]);
- const Mantid::MantidVec &dataY = workspace->readY(indexList[i]);
- const Mantid::MantidVec &dataE = workspace->readE(indexList[i]);
+ const auto &dataXPoints = workspace->points(indexList[i]);
+ const auto &dataY = workspace->y(indexList[i]);
+ const auto &dataE = workspace->e(indexList[i]);
const int kY = (c + 1) * i + 1;
const int kX = (c + 1) * i;
@@ -2802,11 +2813,7 @@ Table *MantidUI::createTableFromSpectraList(const QString &tableName,
t->setColName(kErr, "ES" + QString::number(indexList[i]));
}
for (int j = 0; j < numRows; j++) {
- if (isHistogram && binCentres) {
- t->setCell(j, kX, (dataX[j] + dataX[j + 1]) / 2);
- } else {
- t->setCell(j, kX, dataX[j]);
- }
+ t->setCell(j, kX, dataXPoints[j]);
t->setCell(j, kY, dataY[j]);
if (errs)
@@ -2816,7 +2823,7 @@ Table *MantidUI::createTableFromSpectraList(const QString &tableName,
int iRow = numRows;
t->addRows(1);
if (i == 0)
- t->setCell(iRow, 0, dataX[iRow]);
+ t->setCell(iRow, 0, dataXPoints[iRow]);
t->setCell(iRow, kY, 0);
if (errs)
t->setCell(iRow, kErr, 0);
@@ -3615,8 +3622,8 @@ Table *MantidUI::createTableFromBins(
t->setColName(kErr, "EB" + QString::number(bins[i]));
}
for (int j = j0; j <= j1; j++) {
- const Mantid::MantidVec &dataY = workspace->readY(j);
- const Mantid::MantidVec &dataE = workspace->readE(j);
+ const auto &dataY = workspace->y(j);
+ const auto &dataE = workspace->e(j);
if (i == 0) {
// Get the X axis values from the vertical axis of the workspace
diff --git a/MantidPlot/src/Mantid/MantidUI.h b/MantidPlot/src/Mantid/MantidUI.h
index 6867b67109d0047c9d417c36391e7401b39484d6..c933f8585a024de336bd0041f59453c714c78e75 100644
--- a/MantidPlot/src/Mantid/MantidUI.h
+++ b/MantidPlot/src/Mantid/MantidUI.h
@@ -560,6 +560,8 @@ public:
#endif
private slots:
+ // respond to the global Mantid properties being modifed
+ void configModified();
// slot for file open dialogs created from the main app menu, or the
// workspaces dock window
diff --git a/MantidPlot/src/Spectrogram.cpp b/MantidPlot/src/Spectrogram.cpp
index d4f536954234eba4f20bf318d0dff6627342dd96..6318302ec47484032cd43e2f2d7224e3a836cde9 100644
--- a/MantidPlot/src/Spectrogram.cpp
+++ b/MantidPlot/src/Spectrogram.cpp
@@ -979,7 +979,7 @@ QImage Spectrogram::renderImage(const QwtScaleMap &xMap,
jmin = 0;
unsigned char *line = image.scanLine(static_cast<int>(i)) + jmin;
- const Mantid::MantidVec &X = mantidFun->getMantidVec(row);
+ const auto &X = mantidFun->getHistogramX(row);
int col = 0;
int nX = static_cast<int>(X.size()) - 1;
for (int j = jmin; j < imageWidth; ++j) {
diff --git a/MantidQt/API/src/FileDialogHandler.cpp b/MantidQt/API/src/FileDialogHandler.cpp
index b355c1765da484a4982676101d92d8a96d153a02..cb84a9b8cd46140af5b862f50072226294b4be91 100644
--- a/MantidQt/API/src/FileDialogHandler.cpp
+++ b/MantidQt/API/src/FileDialogHandler.cpp
@@ -19,7 +19,9 @@ QString getExtensionFromFilter(const QString &selectedFilter) {
if (boost::regex_search(selectedFilter.toStdString(), result,
FILE_EXT_REG_EXP) &&
result.size() == 2) {
- auto extension = QString::fromStdString(result[1]);
+ // clang fails to cast result[1] to std::string.
+ std::string output = result[1];
+ auto extension = QString::fromStdString(output);
if (extension.startsWith("*"))
return extension.remove(0, 1);
else
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisDataLoader.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisDataLoader.h
index 5c0c23eacc11bf127d0c2ddc974c65ce90b2af96..facb4860a3846907340015ca879e9bafc5846e2c 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisDataLoader.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Muon/MuonAnalysisDataLoader.h
@@ -95,6 +95,8 @@ public:
/// Load dead times from file
Mantid::API::Workspace_sptr
loadDeadTimesFromFile(const std::string &filename) const;
+ // empty the cache
+ void clearCache();
protected:
/// Set properties of algorithm from options
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/IReflSettingsView.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/IReflSettingsView.h
index 655992dab252078080677407bc53ed3007dc0c30..742f0c678929e52fe77370901e931567a31ff151 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/IReflSettingsView.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/IReflSettingsView.h
@@ -75,10 +75,12 @@ public:
virtual std::string getLambdaMax() const = 0;
virtual std::string getI0MonitorIndex() const = 0;
virtual std::string getProcessingInstructions() const = 0;
+ virtual std::string getDetectorCorrectionType() const = 0;
/// Set default values for settings
virtual void setExpDefaults(const std::vector<std::string> &) const = 0;
- virtual void setInstDefaults(const std::vector<double> &) const = 0;
+ virtual void setInstDefaults(const std::vector<double> &,
+ const std::vector<std::string> &) const = 0;
/// Set polarisation corrections and parameters enabled/disabled
virtual void setPolarisationOptionsEnabled(bool enable) const = 0;
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/QtReflSettingsView.h b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/QtReflSettingsView.h
index 92210ad1448dfa935fbd4643b4b60cdc02ec3e35..f659951591fc178a58d2205c528fcd4df6fd8b42 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/QtReflSettingsView.h
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/QtReflSettingsView.h
@@ -88,9 +88,12 @@ public:
std::string getI0MonitorIndex() const override;
/// Return processing instructions
std::string getProcessingInstructions() const override;
+ /// Return selected detector correction type
+ std::string getDetectorCorrectionType() const override;
/// Set default values for experiment and instrument settings
void setExpDefaults(const std::vector<std::string> &) const override;
- void setInstDefaults(const std::vector<double> &) const override;
+ void setInstDefaults(const std::vector<double> &,
+ const std::vector<std::string> &) const override;
/// Creates hints for 'Stitch1DMany'
void
diff --git a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/ReflSettingsWidget.ui b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/ReflSettingsWidget.ui
index ce85e5f7ca844b38d4ef757327190194dbb603f3..40c0eafa1815e53e5b52c3a1ed5937d4b9636cae 100644
--- a/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/ReflSettingsWidget.ui
+++ b/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/Reflectometry/ReflSettingsWidget.ui
@@ -499,6 +499,27 @@
</property>
</spacer>
</item>
+ <item row="8" column="0">
+ <widget class="QLabel" name="detectorCorrectionTypeLabel">
+ <property name="text">
+ <string>DetectorCorrectionType</string>
+ </property>
+ </widget>
+ </item>
+ <item row="8" column="1">
+ <widget class="QComboBox" name="detectorCorrectionTypeComboBox">
+ <item>
+ <property name="text">
+ <string>VerticalShift</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>RotateAroundSample</string>
+ </property>
+ </item>
+ </widget>
+ </item>
</layout>
</item>
<item>
@@ -542,4 +563,4 @@
<customwidgets/>
<resources/>
<connections/>
-</ui>
\ No newline at end of file
+</ui>
diff --git a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffFittingPresenter.cpp b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffFittingPresenter.cpp
index 579dc6c3a112fdf0a117ce2f9c883d62a364077f..7ef2a93e3964574a6858401523268c15e8bf4e42 100644
--- a/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffFittingPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/EnggDiffraction/EnggDiffFittingPresenter.cpp
@@ -10,8 +10,8 @@
#include "MantidQtCustomInterfaces/Muon/ALCHelper.h"
#include <boost/lexical_cast.hpp>
-#include <fstream>
#include <cctype>
+#include <fstream>
#include <Poco/DirectoryIterator.h>
#include <Poco/File.h>
@@ -1573,8 +1573,8 @@ void EnggDiffFittingPresenter::setDataToClonedWS(std::string ¤t_WS,
AnalysisDataServiceImpl &ADS = Mantid::API::AnalysisDataService::Instance();
auto currentPeakWS = ADS.retrieveWS<MatrixWorkspace>(current_WS);
auto currentClonedWS = ADS.retrieveWS<MatrixWorkspace>(cloned_WS);
- currentClonedWS->dataY(0) = currentPeakWS->readY(0);
- currentClonedWS->dataE(0) = currentPeakWS->readE(0);
+ currentClonedWS->mutableY(0) = currentPeakWS->y(0);
+ currentClonedWS->mutableE(0) = currentPeakWS->e(0);
}
void EnggDiffFittingPresenter::setBankItems(
diff --git a/MantidQt/CustomInterfaces/src/Indirect/IndirectDiffractionReduction.cpp b/MantidQt/CustomInterfaces/src/Indirect/IndirectDiffractionReduction.cpp
index aaf4cd9ae8692303fc7cd3c7ed81cff24987d055..08dc707c1441ec441e735c6b4180fe5396e7851d 100644
--- a/MantidQt/CustomInterfaces/src/Indirect/IndirectDiffractionReduction.cpp
+++ b/MantidQt/CustomInterfaces/src/Indirect/IndirectDiffractionReduction.cpp
@@ -125,6 +125,7 @@ void IndirectDiffractionReduction::run() {
"Calibration and rebinning parameters are incorrect.");
return;
}
+ runGenericReduction(instName, mode);
}
} else {
if (!validateRebin()) {
diff --git a/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp b/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
index 4e5a212ad6703d634d3112e7f87af5e420a8ca5a..878356647a082fafd3721fc2a9cc11acfe64a25f 100644
--- a/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
+++ b/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
@@ -1,20 +1,20 @@
#include <iostream>
#include <sstream>
-#include "MantidQtCustomInterfaces/MantidEVWorker.h"
-#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/AlgorithmManager.h"
-#include "MantidAPI/Workspace.h"
-#include "MantidAPI/WorkspaceGroup.h"
+#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/IEventWorkspace.h"
#include "MantidAPI/IMDWorkspace.h"
#include "MantidAPI/IPeaksWorkspace.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/Sample.h"
+#include "MantidAPI/Workspace.h"
+#include "MantidAPI/WorkspaceGroup.h"
#include "MantidGeometry/Crystal/IPeak.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
#include "MantidKernel/EmptyValues.h"
#include "MantidKernel/Logger.h"
+#include "MantidQtCustomInterfaces/MantidEVWorker.h"
#include <exception>
namespace MantidQt {
@@ -296,7 +296,7 @@ bool MantidEVWorker::findPeaks(const std::string &ev_ws_name,
int_alg->execute();
Mantid::API::MatrixWorkspace_sptr int_ws =
ADS.retrieveWS<MatrixWorkspace>(ev_ws_name + "_integrated_monitor");
- monitor_count = int_ws->readY(0)[0];
+ monitor_count = int_ws->y(0)[0];
std::cout << "Beam monitor counts used for scaling = " << monitor_count
<< "\n";
} else {
diff --git a/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDataController.cpp b/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDataController.cpp
index 0627e4fd577e690301f7813a21b572b29d82af04..4ac6c2682475adea5a710075ab154089878d3a41 100644
--- a/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDataController.cpp
+++ b/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDataController.cpp
@@ -1,13 +1,13 @@
#include "MantidQtCustomInterfaces/MultiDatasetFit/MDFDataController.h"
-#include "MantidQtCustomInterfaces/MultiDatasetFit/MultiDatasetFit.h"
#include "MantidQtCustomInterfaces/MultiDatasetFit/MDFAddWorkspaceDialog.h"
+#include "MantidQtCustomInterfaces/MultiDatasetFit/MultiDatasetFit.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceGroup.h"
-#include <QTableWidget>
#include <QMessageBox>
+#include <QTableWidget>
namespace {
// columns in the data table
@@ -109,11 +109,11 @@ void DataController::addWorkspaceSpectrum(
flags ^= Qt::ItemIsEditable;
cell->setFlags(flags);
- const double startX = ws.readX(wsIndex).front();
+ const auto startX = ws.x(wsIndex).front();
cell = new QTableWidgetItem(makeNumber(startX));
m_dataTable->setItem(row, startXColumn, cell);
- const double endX = ws.readX(wsIndex).back();
+ const auto endX = ws.x(wsIndex).back();
cell = new QTableWidgetItem(makeNumber(endX));
m_dataTable->setItem(row, endXColumn, cell);
}
diff --git a/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDatasetPlotData.cpp b/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDatasetPlotData.cpp
index ae10594652238e5911666c2d8a3979cfe7c2d2fb..192f34a16743af9cc32a5698ccdc64db93ce356e 100644
--- a/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDatasetPlotData.cpp
+++ b/MantidQt/CustomInterfaces/src/MultiDatasetFit/MDFDatasetPlotData.cpp
@@ -93,39 +93,36 @@ void DatasetPlotData::setData(const Mantid::API::MatrixWorkspace *ws,
int wsIndex,
const Mantid::API::MatrixWorkspace *outputWS) {
bool haveFitCurves = outputWS && outputWS->getNumberHistograms() >= 3;
- std::vector<double> xValues = ws->readX(wsIndex);
- if (ws->isHistogramData()) {
- auto xend = xValues.end() - 1;
- for (auto x = xValues.begin(); x != xend; ++x) {
- *x = (*x + *(x + 1)) / 2;
- }
- xValues.pop_back();
- }
- m_dataCurve->setData(xValues.data(), ws->readY(wsIndex).data(),
+ auto xValues = ws->points(wsIndex);
+
+ m_dataCurve->setData(xValues.rawData().data(),
+ ws->y(wsIndex).rawData().data(),
static_cast<int>(xValues.size()));
if (m_dataErrorCurve) {
m_dataErrorCurve->detach();
delete m_dataErrorCurve;
}
- m_dataErrorCurve =
- new MantidQt::MantidWidgets::ErrorCurve(m_dataCurve, ws->readE(wsIndex));
+ m_dataErrorCurve = new MantidQt::MantidWidgets::ErrorCurve(
+ m_dataCurve, ws->e(wsIndex).rawData());
if (haveFitCurves) {
auto xBegin = std::lower_bound(xValues.begin(), xValues.end(),
- outputWS->readX(1).front());
+ outputWS->x(1).front());
if (xBegin == xValues.end())
return;
int i0 = static_cast<int>(std::distance(xValues.begin(), xBegin));
- int n = static_cast<int>(outputWS->readY(1).size());
+ int n = static_cast<int>(outputWS->y(1).size());
if (i0 + n > static_cast<int>(xValues.size()))
return;
m_calcCurve = new QwtPlotCurve("calc");
- m_calcCurve->setData(xValues.data() + i0, outputWS->readY(1).data(), n);
+ m_calcCurve->setData(xValues.rawData().data() + i0,
+ outputWS->y(1).rawData().data(), n);
QPen penCalc("red");
m_calcCurve->setPen(penCalc);
m_diffCurve = new QwtPlotCurve("diff");
- m_diffCurve->setData(xValues.data() + i0, outputWS->readY(2).data(), n);
+ m_diffCurve->setData(xValues.rawData().data() + i0,
+ outputWS->y(2).rawData().data(), n);
QPen penDiff("green");
m_diffCurve->setPen(penDiff);
}
diff --git a/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingModel.cpp b/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingModel.cpp
index 96a6226c5f4100ff07ee374c7436856c8ef29717..a553f6c6a2d2f6e59b5487e3b86ac6bb57467926 100644
--- a/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingModel.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingModel.cpp
@@ -4,10 +4,10 @@
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/FunctionFactory.h"
-#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidAPI/TextAxis.h"
#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/TableRow.h"
+#include "MantidAPI/TextAxis.h"
#include "MantidAPI/WorkspaceFactory.h"
#include "Poco/ActiveResult.h"
@@ -86,7 +86,7 @@ void ALCBaselineModellingModel::disableUnwantedPoints(
// disable list
for (size_t i = 0; i < ws->blocksize(); ++i) {
for (auto it = sections.begin(); it != sections.end(); ++it) {
- if (ws->dataX(0)[i] >= it->first && ws->dataX(0)[i] <= it->second) {
+ if (ws->x(0)[i] >= it->first && ws->x(0)[i] <= it->second) {
toDisable[i] = false;
break; // No need to check other sections
}
@@ -103,7 +103,7 @@ void ALCBaselineModellingModel::disableUnwantedPoints(
// Disable chosen points
for (size_t i = 0; i < ws->blocksize(); ++i) {
if (toDisable[i]) {
- ws->dataE(0)[i] = DISABLED_ERR;
+ ws->mutableE(0)[i] = DISABLED_ERR;
}
}
}
@@ -117,7 +117,7 @@ void ALCBaselineModellingModel::enableDisabledPoints(
MatrixWorkspace_sptr destWs, MatrixWorkspace_const_sptr sourceWs) {
// Unwanted points were disabled by setting their errors to very high values.
// We recover here the original errors stored in sourceWs
- destWs->dataE(0) = sourceWs->readE(0);
+ destWs->mutableE(0) = sourceWs->e(0);
}
/**
@@ -126,7 +126,7 @@ void ALCBaselineModellingModel::enableDisabledPoints(
*/
void ALCBaselineModellingModel::setErrorsAfterFit(MatrixWorkspace_sptr data) {
- data->dataE(2) = data->readE(0);
+ data->mutableE(2) = data->e(0);
}
MatrixWorkspace_sptr ALCBaselineModellingModel::exportWorkspace() {
diff --git a/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingPresenter.cpp b/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingPresenter.cpp
index 4750f4a95683a7d5235f9da9c18c0af137702065..a647382b0652afdadb4ff08fa705eed80eb92e49 100644
--- a/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/ALCBaselineModellingPresenter.cpp
@@ -176,9 +176,9 @@ void ALCBaselineModellingPresenter::updateCorrectedCurve() {
void ALCBaselineModellingPresenter::updateBaselineCurve() {
if (IFunction_const_sptr fittedFunc = m_model->fittedFunction()) {
- const std::vector<double> &xValues = m_model->data()->readX(0);
+ auto &xValues = m_model->data()->x(0);
m_view->setBaselineCurve(
- *(ALCHelper::curveDataFromFunction(fittedFunc, xValues)));
+ *(ALCHelper::curveDataFromFunction(fittedFunc, xValues.rawData())));
} else {
m_view->setBaselineCurve(*(ALCHelper::emptyCurveData()));
}
diff --git a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysis.cpp b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysis.cpp
index b4dd30338ab2c8cf054f250ba4451b6b5c9789ea..5001f39717e9979522b537f7088c8349338347db 100644
--- a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysis.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysis.cpp
@@ -2694,7 +2694,7 @@ void MuonAnalysis::doSetToolbarsHidden(bool hidden) {
*/
void MuonAnalysis::onDeadTimeTypeChanged(int choice) {
m_deadTimesChanged = true;
-
+ m_dataLoader.clearCache();
if (choice == 0 || choice == 1) // if choice == none || choice == from file
{
m_uiForm.mwRunDeadTimeFile->setVisible(false);
@@ -2757,6 +2757,7 @@ void MuonAnalysis::deadTimeFileSelected() {
* from the form
*/
void MuonAnalysis::setTimeZeroState(int checkBoxState) {
+ m_dataLoader.clearCache();
if (checkBoxState == -1)
checkBoxState = m_uiForm.timeZeroAuto->checkState();
@@ -2778,6 +2779,7 @@ void MuonAnalysis::setTimeZeroState(int checkBoxState) {
* from the form
*/
void MuonAnalysis::setFirstGoodDataState(int checkBoxState) {
+ m_dataLoader.clearCache();
if (checkBoxState == -1)
checkBoxState = m_uiForm.firstGoodDataAuto->checkState();
diff --git a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisDataLoader.cpp b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisDataLoader.cpp
index c8c5914ab134ad0a34c3b89abffe09c8af761cca..7ce7bebaa575d794669c46796dc532edb8265427 100644
--- a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisDataLoader.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisDataLoader.cpp
@@ -472,5 +472,11 @@ void MuonAnalysisDataLoader::updateCache() const {
}
}
+void MuonAnalysisDataLoader::clearCache() {
+ if (!m_loadedDataCache.empty()) {
+ m_loadedDataCache.clear();
+ }
+}
+
} // namespace CustomInterfaces
} // namespace MantidQt
diff --git a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisHelper.cpp b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisHelper.cpp
index d679fc4fa2e2ab51f7b70532d02a78c4ce55f2a3..a7501a47be37ed811d8c77f009b24f5c56553a2c 100644
--- a/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisHelper.cpp
+++ b/MantidQt/CustomInterfaces/src/Muon/MuonAnalysisHelper.cpp
@@ -13,9 +13,9 @@
#include "MantidKernel/StringTokenizer.h"
#include "MantidKernel/TimeSeriesProperty.h"
-#include <QLineEdit>
#include <QCheckBox>
#include <QComboBox>
+#include <QLineEdit>
#include <QSpinBox>
#include <boost/lexical_cast.hpp>
@@ -162,7 +162,7 @@ void printRunInfo(MatrixWorkspace_sptr runWs, std::ostringstream &out) {
double counts(0.0);
for (size_t i = 0; i < runWs->getNumberHistograms(); ++i) {
for (size_t j = 0; j < runWs->blocksize(); ++j) {
- counts += runWs->dataY(i)[j];
+ counts += runWs->y(i)[j];
}
}
// output this number to three decimal places
diff --git a/MantidQt/CustomInterfaces/src/Reflectometry/QtReflSettingsView.cpp b/MantidQt/CustomInterfaces/src/Reflectometry/QtReflSettingsView.cpp
index 020a107f029fe6ee9905e653cf03c15d1c04d5fc..3ac2a8314398b7767421bd3fcde0d427be7f8412 100644
--- a/MantidQt/CustomInterfaces/src/Reflectometry/QtReflSettingsView.cpp
+++ b/MantidQt/CustomInterfaces/src/Reflectometry/QtReflSettingsView.cpp
@@ -84,18 +84,25 @@ void QtReflSettingsView::setExpDefaults(
* values.
*/
void QtReflSettingsView::setInstDefaults(
- const std::vector<double> &defaults) const {
+ const std::vector<double> &defaults_double,
+ const std::vector<std::string> &defaults_str) const {
- auto intMonCheckState = (defaults[0] != 0) ? Qt::Checked : Qt::Unchecked;
+ auto intMonCheckState =
+ (defaults_double[0] != 0) ? Qt::Checked : Qt::Unchecked;
m_ui.intMonCheckBox->setCheckState(intMonCheckState);
- m_ui.monIntMinEdit->setText(QString::number(defaults[1]));
- m_ui.monIntMaxEdit->setText(QString::number(defaults[2]));
- m_ui.monBgMinEdit->setText(QString::number(defaults[3]));
- m_ui.monBgMaxEdit->setText(QString::number(defaults[4]));
- m_ui.lamMinEdit->setText(QString::number(defaults[5]));
- m_ui.lamMaxEdit->setText(QString::number(defaults[6]));
- m_ui.I0MonIndexEdit->setText(QString::number(defaults[7]));
+ m_ui.monIntMinEdit->setText(QString::number(defaults_double[1]));
+ m_ui.monIntMaxEdit->setText(QString::number(defaults_double[2]));
+ m_ui.monBgMinEdit->setText(QString::number(defaults_double[3]));
+ m_ui.monBgMaxEdit->setText(QString::number(defaults_double[4]));
+ m_ui.lamMinEdit->setText(QString::number(defaults_double[5]));
+ m_ui.lamMaxEdit->setText(QString::number(defaults_double[6]));
+ m_ui.I0MonIndexEdit->setText(QString::number(defaults_double[7]));
+
+ int ctIndex = m_ui.detectorCorrectionTypeComboBox->findText(
+ QString::fromStdString(defaults_str[0]));
+ if (ctIndex != -1)
+ m_ui.detectorCorrectionTypeComboBox->setCurrentIndex(ctIndex);
}
/* Sets the enabled status of polarisation corrections and parameters
@@ -308,5 +315,13 @@ std::string QtReflSettingsView::getProcessingInstructions() const {
return m_ui.procInstEdit->text().toStdString();
}
+/** Return selected correction type
+* @return :: selected correction type
+*/
+std::string QtReflSettingsView::getDetectorCorrectionType() const {
+
+ return m_ui.detectorCorrectionTypeComboBox->currentText().toStdString();
+}
+
} // namespace CustomInterfaces
} // namespace Mantid
diff --git a/MantidQt/CustomInterfaces/src/Reflectometry/ReflSettingsPresenter.cpp b/MantidQt/CustomInterfaces/src/Reflectometry/ReflSettingsPresenter.cpp
index 806ed0229baa20199704efd34438b62e284d18a7..234412108e9b241f0d5a5293acabf47ac58b06ed 100644
--- a/MantidQt/CustomInterfaces/src/Reflectometry/ReflSettingsPresenter.cpp
+++ b/MantidQt/CustomInterfaces/src/Reflectometry/ReflSettingsPresenter.cpp
@@ -233,6 +233,11 @@ std::string ReflSettingsPresenter::getReductionOptions() const {
options.push_back("ProcessingInstructions=" + procInst);
}
+ // Add correction type
+ auto correctionType = m_view->getDetectorCorrectionType();
+ if (!correctionType.empty())
+ options.push_back("DetectorCorrectionType=" + correctionType);
+
// Add start overlap
auto startOv = m_view->getStartOverlap();
if (!startOv.empty())
@@ -360,18 +365,21 @@ void ReflSettingsPresenter::getInstDefaults() {
auto inst = createEmptyInstrument(m_currentInstrumentName);
// Collect all default values
- std::vector<double> defaults(8);
- defaults[0] = boost::lexical_cast<double>(
+ std::vector<double> defaults_double(8);
+ defaults_double[0] = boost::lexical_cast<double>(
alg->getPropertyValue("NormalizeByIntegratedMonitors"));
- defaults[1] = inst->getNumberParameter("MonitorIntegralMin")[0];
- defaults[2] = inst->getNumberParameter("MonitorIntegralMax")[0];
- defaults[3] = inst->getNumberParameter("MonitorBackgroundMin")[0];
- defaults[4] = inst->getNumberParameter("MonitorBackgroundMax")[0];
- defaults[5] = inst->getNumberParameter("LambdaMin")[0];
- defaults[6] = inst->getNumberParameter("LambdaMax")[0];
- defaults[7] = inst->getNumberParameter("I0MonitorIndex")[0];
-
- m_view->setInstDefaults(defaults);
+ defaults_double[1] = inst->getNumberParameter("MonitorIntegralMin")[0];
+ defaults_double[2] = inst->getNumberParameter("MonitorIntegralMax")[0];
+ defaults_double[3] = inst->getNumberParameter("MonitorBackgroundMin")[0];
+ defaults_double[4] = inst->getNumberParameter("MonitorBackgroundMax")[0];
+ defaults_double[5] = inst->getNumberParameter("LambdaMin")[0];
+ defaults_double[6] = inst->getNumberParameter("LambdaMax")[0];
+ defaults_double[7] = inst->getNumberParameter("I0MonitorIndex")[0];
+
+ std::vector<std::string> defaults_str(1);
+ defaults_str[0] = alg->getPropertyValue("DetectorCorrectionType");
+
+ m_view->setInstDefaults(defaults_double, defaults_str);
}
/** Generates and returns an instance of the ReflectometryReductionOneAuto
diff --git a/MantidQt/CustomInterfaces/src/SANSPlotSpecial.cpp b/MantidQt/CustomInterfaces/src/SANSPlotSpecial.cpp
index 57edbc0a1b376c02361f49978e381cadff452e2e..4c3cbbf8c3075f1bcb4fdfe68300cbc966932828 100644
--- a/MantidQt/CustomInterfaces/src/SANSPlotSpecial.cpp
+++ b/MantidQt/CustomInterfaces/src/SANSPlotSpecial.cpp
@@ -1,14 +1,14 @@
#include "MantidQtCustomInterfaces/SANSPlotSpecial.h"
-#include "MantidKernel/PhysicalConstants.h"
#include "MantidAPI/AlgorithmManager.h"
-#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/IFunction.h"
+#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidKernel/PhysicalConstants.h"
#include "MantidQtMantidWidgets/RangeSelector.h"
-#include <QLineEdit>
#include "qwt_plot_curve.h"
+#include <QLineEdit>
namespace MantidQt {
namespace CustomInterfaces {
@@ -481,10 +481,10 @@ QwtPlotCurve *SANSPlotSpecial::plotMiniplot(
curve = new QwtPlotCurve();
using Mantid::MantidVec;
- const MantidVec &dataX = workspace->readX(workspaceIndex);
- const MantidVec &dataY = workspace->readY(workspaceIndex);
+ auto &dataX = workspace->x(workspaceIndex);
+ auto &dataY = workspace->y(workspaceIndex);
- curve->setData(&dataX[0], &dataY[0],
+ curve->setData(dataX.rawData().data(), dataY.rawData().data(),
static_cast<int>(workspace->blocksize()));
curve->attach(m_uiForm.plotWindow);
diff --git a/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp b/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
index 85d0b94257e64b096dfe9ad80dbffaf45b1cc2ee..c304f7ca2fca20570033be5ecb1b15a578b5c1ce 100644
--- a/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
+++ b/MantidQt/CustomInterfaces/src/SANSRunWindow.cpp
@@ -1,26 +1,26 @@
#include "MantidQtCustomInterfaces/SANSRunWindow.h"
-#include "MantidKernel/ConfigService.h"
-#include "MantidKernel/FacilityInfo.h"
-#include "MantidKernel/PropertyWithValue.h"
-#include "MantidKernel/Exception.h"
-#include "MantidKernel/PropertyManagerDataService.h"
-#include "MantidKernel/Logger.h"
-#include "MantidKernel/V3D.h"
-#include "MantidGeometry/IComponent.h"
-#include "MantidGeometry/Instrument.h"
-#include "MantidGeometry/IDetector.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/DetectorInfo.h"
#include "MantidAPI/IAlgorithm.h"
#include "MantidAPI/IEventWorkspace.h"
+#include "MantidAPI/Run.h"
#include "MantidAPI/Sample.h"
#include "MantidAPI/SpectrumInfo.h"
-#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceGroup.h"
+#include "MantidGeometry/IComponent.h"
+#include "MantidGeometry/IDetector.h"
+#include "MantidGeometry/Instrument.h"
+#include "MantidKernel/ConfigService.h"
+#include "MantidKernel/Exception.h"
+#include "MantidKernel/FacilityInfo.h"
+#include "MantidKernel/Logger.h"
+#include "MantidKernel/PropertyManagerDataService.h"
+#include "MantidKernel/PropertyWithValue.h"
+#include "MantidKernel/V3D.h"
-#include "MantidQtAPI/MantidDesktopServices.h"
#include "MantidQtAPI/ManageUserDirectories.h"
+#include "MantidQtAPI/MantidDesktopServices.h"
#include "MantidQtCustomInterfaces/SANSAddFiles.h"
#include "MantidQtCustomInterfaces/SANSBackgroundCorrectionSettings.h"
#include "MantidQtCustomInterfaces/SANSEventSlicing.h"
@@ -31,11 +31,11 @@
#include <QTextStream>
#include <QUrl>
-#include <Poco/StringTokenizer.h>
#include <Poco/Message.h>
+#include <Poco/StringTokenizer.h>
-#include <boost/lexical_cast.hpp>
#include <boost/foreach.hpp>
+#include <boost/lexical_cast.hpp>
#include <boost/tuple/tuple.hpp>
#include <cmath>
@@ -2093,11 +2093,9 @@ bool SANSRunWindow::handleLoadButtonClick() {
Mantid::API::MatrixWorkspace_sptr sample_workspace =
boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(baseWS);
- if (sample_workspace && (!sample_workspace->readX(0).empty())) {
- m_uiForm.tof_min->setText(
- QString::number(sample_workspace->readX(0).front()));
- m_uiForm.tof_max->setText(
- QString::number(sample_workspace->readX(0).back()));
+ if (sample_workspace && (!sample_workspace->x(0).empty())) {
+ m_uiForm.tof_min->setText(QString::number(sample_workspace->x(0).front()));
+ m_uiForm.tof_max->setText(QString::number(sample_workspace->x(0).back()));
}
// Set the geometry if the sample has been changed
@@ -3521,8 +3519,33 @@ void SANSRunWindow::fillDetectNames(QComboBox *output) {
"to continue by selecting a valid instrument");
}
- output->setItemText(0, dets[1]);
- output->setItemText(1, dets[3]);
+ // The setting of the detector here has been the cause of problems for
+ // (apparently years).
+ // The code assumes for the indices
+ // | | LOQ | SANS2D | LARMOR |
+ // |-----|--------------------|----------------|-------------------------|
+ // | 0 | main-detector-bank | rear-detector | DetectorBench |
+ // | 1 | HAB | front-detector | front-detector (unused) |
+ // | 2 | both | both | both |
+ // | 3 | merged | merged | merged |
+ // But the Python method above listDetectors will return the selected detector
+ // first,
+ // ie if HAB was selected on LOQ, then it would return
+ // ["HAB","main-detector-bank"]
+ // if main-detector-bank was selected on LOQ, then it would return
+ // ["main-detector-bank", "HAB"]
+ // which means we need to assign the names to the right slots.
+ QStringList detectorNames = {dets[1], dets[3]};
+ for (auto &name : detectorNames) {
+ if (name == "main-detector-bank" || name == "rear-detector" ||
+ name == "DetectorBench") {
+ output->setItemText(0, name);
+ }
+
+ if (name == "HAB" || name == "front-detector") {
+ output->setItemText(1, name);
+ }
+ }
}
/** Checks if the workspace is a group and returns the first member of group,
* throws
diff --git a/MantidQt/CustomInterfaces/src/SampleTransmission.cpp b/MantidQt/CustomInterfaces/src/SampleTransmission.cpp
index c93305c2588beef16ffcf69165dd5f93c7301360..39c6ee2043b7809a13bc120c7299c3c24fd30fea 100644
--- a/MantidQt/CustomInterfaces/src/SampleTransmission.cpp
+++ b/MantidQt/CustomInterfaces/src/SampleTransmission.cpp
@@ -173,7 +173,7 @@ void SampleTransmission::algorithmComplete(bool error) {
"CalculatedSampleTransmission");
// Fill the output table
- double scattering = ws->dataY(1)[0];
+ double scattering = ws->y(1)[0];
QTreeWidgetItem *scatteringItem = new QTreeWidgetItem();
scatteringItem->setText(0, "Scattering");
scatteringItem->setText(1, QString::number(scattering));
@@ -184,8 +184,7 @@ void SampleTransmission::algorithmComplete(bool error) {
m_uiForm.twResults->addTopLevelItem(transmissionItem);
transmissionItem->setExpanded(true);
- std::vector<double> transmissionData = ws->dataY(0);
- Statistics stats = getStatistics(transmissionData);
+ Statistics stats = getStatistics(ws->y(0).rawData());
QMap<QString, double> transmissionStats;
transmissionStats["Min"] = stats.minimum;
diff --git a/MantidQt/CustomInterfaces/src/Tomography/ImggFormatsConvertViewQtWidget.cpp b/MantidQt/CustomInterfaces/src/Tomography/ImggFormatsConvertViewQtWidget.cpp
index b0e18f97b8558e6ffabd09a3fe050cef2ea96228..0c709bdea1eefb5674a2142b9fd91bf7c0ae9db4 100644
--- a/MantidQt/CustomInterfaces/src/Tomography/ImggFormatsConvertViewQtWidget.cpp
+++ b/MantidQt/CustomInterfaces/src/Tomography/ImggFormatsConvertViewQtWidget.cpp
@@ -14,8 +14,8 @@ using namespace MantidQt::CustomInterfaces;
#include <QMessageBox>
#include <QSettings>
-#include <iostream>
#include <QImage>
+#include <iostream>
namespace MantidQt {
namespace CustomInterfaces {
@@ -231,7 +231,7 @@ void ImggFormatsConvertViewQtWidget::writeImg(
const double scaleFactor = std::numeric_limits<unsigned short int>::max() /
std::numeric_limits<unsigned char>::max();
for (int yi = 0; yi < static_cast<int>(width); ++yi) {
- const auto &row = inWks->readY(yi);
+ const auto &row = inWks->y(yi);
for (int xi = 0; xi < static_cast<int>(width); ++xi) {
int scaled = static_cast<int>(row[xi] / scaleFactor);
// Images not from IMAT, just crop. This needs much improvement when
@@ -282,9 +282,8 @@ ImggFormatsConvertViewQtWidget::loadImg(const std::string &inputName,
const double scaleFactor = std::numeric_limits<unsigned char>::max();
for (int yi = 0; yi < static_cast<int>(width); ++yi) {
auto &row = imgWks->getSpectrum(yi);
- auto &dataY = row.dataY();
- auto &dataX = row.dataX();
- std::fill(dataX.begin(), dataX.end(), static_cast<double>(yi));
+ auto &dataY = row.mutableY();
+ row.mutableX() = static_cast<double>(yi);
for (int xi = 0; xi < static_cast<int>(width); ++xi) {
QRgb vRgb = img.pixel(xi, yi);
dataY[xi] = scaleFactor * qGray(vRgb);
diff --git a/MantidQt/CustomInterfaces/test/ALCBaselineModellingModelTest.h b/MantidQt/CustomInterfaces/test/ALCBaselineModellingModelTest.h
index e5696568e91257ff6cab02ab186095dc3b297daa..6f177388f3f0dad3eb058d825b5f4d09fa160817 100644
--- a/MantidQt/CustomInterfaces/test/ALCBaselineModellingModelTest.h
+++ b/MantidQt/CustomInterfaces/test/ALCBaselineModellingModelTest.h
@@ -8,6 +8,7 @@
#include "MantidAPI/ITableWorkspace.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidTestHelpers/HistogramDataTestHelper.h"
#include "MantidQtCustomInterfaces/Muon/ALCBaselineModellingModel.h"
@@ -15,6 +16,9 @@
using namespace Mantid::API;
using namespace MantidQt::CustomInterfaces;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
+using Mantid::HistogramData::CountStandardDeviations;
class ALCBaselineModellingModelTest : public CxxTest::TestSuite {
ALCBaselineModellingModel *m_model;
@@ -38,13 +42,10 @@ public:
void tearDown() override { delete m_model; }
void test_setData() {
- std::vector<double> y = {100, 1, 2, 100, 100, 3, 4, 5, 100};
- std::vector<double> x = {1, 2, 3, 4, 5, 6, 7, 8, 9};
-
- MatrixWorkspace_sptr data = WorkspaceFactory::Instance().create(
- "Workspace2D", 1, y.size(), y.size());
- data->dataY(0) = y;
- data->dataX(0) = x;
+ MatrixWorkspace_sptr data =
+ WorkspaceFactory::Instance().create("Workspace2D", 1, 9, 9);
+ data->setHistogram(0, Points{1, 2, 3, 4, 5, 6, 7, 8, 9},
+ Counts{100, 1, 2, 100, 100, 3, 4, 5, 100});
QSignalSpy spy(m_model, SIGNAL(dataChanged()));
@@ -54,21 +55,18 @@ public:
MatrixWorkspace_const_sptr modelData = m_model->data();
- TS_ASSERT_EQUALS(modelData->readX(0), data->readX(0));
- TS_ASSERT_EQUALS(modelData->readY(0), data->readY(0));
- TS_ASSERT_EQUALS(modelData->readE(0), data->readE(0));
+ TS_ASSERT_EQUALS(modelData->x(0), data->x(0));
+ TS_ASSERT_EQUALS(modelData->y(0), data->y(0));
+ TS_ASSERT_EQUALS(modelData->e(0), data->e(0));
}
void test_fit() {
- std::vector<double> e = {10.0, 1.0, 1.41, 10.0, 10.0, 1.73, 2.0, 2.5, 10.0};
- std::vector<double> y = {100, 1, 2, 100, 100, 3, 4, 5, 100};
- std::vector<double> x = {1, 2, 3, 4, 5, 6, 7, 8, 9};
-
- MatrixWorkspace_sptr data = WorkspaceFactory::Instance().create(
- "Workspace2D", 1, y.size(), y.size());
- data->dataE(0) = e;
- data->dataY(0) = y;
- data->dataX(0) = x;
+ MatrixWorkspace_sptr data =
+ WorkspaceFactory::Instance().create("Workspace2D", 1, 9, 9);
+ data->setHistogram(0, Points{1, 2, 3, 4, 5, 6, 7, 8, 9},
+ Counts{100, 1, 2, 100, 100, 3, 4, 5, 100},
+ CountStandardDeviations{10.0, 1.0, 1.41, 10.0, 10.0,
+ 1.73, 2.0, 2.5, 10.0});
m_model->setData(data);
@@ -98,12 +96,12 @@ public:
TS_ASSERT_EQUALS(corrected->getNumberHistograms(), 1);
TS_ASSERT_EQUALS(corrected->blocksize(), 9);
- TS_ASSERT_DELTA(corrected->readY(0)[0], 97.86021, 1E-5);
- TS_ASSERT_DELTA(corrected->readY(0)[2], -0.13979, 1E-5);
- TS_ASSERT_DELTA(corrected->readY(0)[5], 0.86021, 1E-5);
- TS_ASSERT_DELTA(corrected->readY(0)[8], 97.86021, 1E-5);
+ TS_ASSERT_DELTA(corrected->y(0)[0], 97.86021, 1E-5);
+ TS_ASSERT_DELTA(corrected->y(0)[2], -0.13979, 1E-5);
+ TS_ASSERT_DELTA(corrected->y(0)[5], 0.86021, 1E-5);
+ TS_ASSERT_DELTA(corrected->y(0)[8], 97.86021, 1E-5);
- TS_ASSERT_EQUALS(corrected->readE(0), data->readE(0));
+ TS_ASSERT_EQUALS(corrected->e(0), data->e(0));
}
ITableWorkspace_sptr parameters = m_model->parameterTable();
diff --git a/MantidQt/CustomInterfaces/test/ALCBaselineModellingPresenterTest.h b/MantidQt/CustomInterfaces/test/ALCBaselineModellingPresenterTest.h
index 392df29326e9304c06a04ac31b57b64bfc79bcb2..e6e03e26e2e8d56ab5f6b94217ca390469ab4f49 100644
--- a/MantidQt/CustomInterfaces/test/ALCBaselineModellingPresenterTest.h
+++ b/MantidQt/CustomInterfaces/test/ALCBaselineModellingPresenterTest.h
@@ -10,6 +10,7 @@
#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidHistogramData/LinearGenerator.h"
#include "MantidKernel/WarningSuppressions.h"
#include "MantidQtCustomInterfaces/Muon/ALCBaselineModellingPresenter.h"
@@ -18,6 +19,10 @@ using namespace Mantid::API;
using namespace MantidQt::CustomInterfaces;
using namespace testing;
using boost::scoped_ptr;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
+using Mantid::HistogramData::CountStandardDeviations;
+using Mantid::HistogramData::LinearGenerator;
GCC_DIAG_OFF_SUGGEST_OVERRIDE
@@ -133,11 +138,9 @@ public:
MatrixWorkspace_sptr ws =
WorkspaceFactory::Instance().create("Workspace2D", 1, size, size);
- for (size_t i = 0; i < size; ++i) {
- ws->dataX(0)[i] = static_cast<double>(i + 1);
- ws->dataY(0)[i] = ws->dataX(0)[i] + deltaY;
- ws->dataE(0)[i] = 1;
- }
+ ws->setHistogram(0, Points(size, LinearGenerator(1, 1)),
+ Counts(size, LinearGenerator(1 + deltaY, 1)),
+ CountStandardDeviations(size, 1));
return ws;
}
diff --git a/MantidQt/CustomInterfaces/test/ALCPeakFittingModelTest.h b/MantidQt/CustomInterfaces/test/ALCPeakFittingModelTest.h
index eeda0c212ce48ad6e6fc1412e011e98699992051..92c0d1390f6fb18102e530f2e8a81cdfa9e62a35 100644
--- a/MantidQt/CustomInterfaces/test/ALCPeakFittingModelTest.h
+++ b/MantidQt/CustomInterfaces/test/ALCPeakFittingModelTest.h
@@ -3,11 +3,11 @@
#include <cxxtest/TestSuite.h>
-#include "MantidAPI/MatrixWorkspace.h"
-#include "MantidAPI/WorkspaceFactory.h"
-#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/FrameworkManager.h"
+#include "MantidAPI/FunctionFactory.h"
#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/MatrixWorkspace.h"
+#include "MantidAPI/WorkspaceFactory.h"
#include "MantidQtCustomInterfaces/Muon/ALCPeakFittingModel.h"
@@ -15,6 +15,9 @@
using namespace Mantid::API;
using namespace MantidQt::CustomInterfaces;
+using Mantid::HistogramData::Points;
+using Mantid::HistogramData::Counts;
+using Mantid::HistogramData::CountStandardDeviations;
class ALCPeakFittingModelTest : public CxxTest::TestSuite {
ALCPeakFittingModel *m_model;
@@ -48,13 +51,13 @@ public:
}
void test_fit() {
- std::vector<double> x = {1.00, 2.00, 3.00, 4.00, 5.00, 6.00, 7.00, 8.00};
- std::vector<double> y = {0.00, 0.01, 0.02, 0.37, 1.00, 0.37, 0.01, 0.00};
+ MatrixWorkspace_sptr data =
+ WorkspaceFactory::Instance().create("Workspace2D", 1, 8, 8);
- MatrixWorkspace_sptr data = WorkspaceFactory::Instance().create(
- "Workspace2D", 1, y.size(), y.size());
- data->dataY(0) = y;
- data->dataX(0) = x;
+ data->setHistogram(0,
+ Points{1.00, 2.00, 3.00, 4.00, 5.00, 6.00, 7.00, 8.00},
+ Counts{0.00, 0.01, 0.02, 0.37, 1.00, 0.37, 0.01, 0.00},
+ CountStandardDeviations(8, 0));
m_model->setData(data);
diff --git a/MantidQt/CustomInterfaces/test/MuonAnalysisDataLoaderTest.h b/MantidQt/CustomInterfaces/test/MuonAnalysisDataLoaderTest.h
index 021a5aaf1e41b53494f65e9227964f5bc7103733..0bf78a952cd9fb82d314e02b9a857a19a96cc82c 100644
--- a/MantidQt/CustomInterfaces/test/MuonAnalysisDataLoaderTest.h
+++ b/MantidQt/CustomInterfaces/test/MuonAnalysisDataLoaderTest.h
@@ -1,9 +1,9 @@
#ifndef MANTIDQT_CUSTOMINTERFACES_MUONANALYSISDATALOADERTEST_H_
#define MANTIDQT_CUSTOMINTERFACES_MUONANALYSISDATALOADERTEST_H_
-#include <cxxtest/TestSuite.h>
-#include <Poco/Path.h>
#include <Poco/File.h>
+#include <Poco/Path.h>
+#include <cxxtest/TestSuite.h>
#include "MantidAPI/Algorithm.h"
#include "MantidAPI/AlgorithmManager.h"
@@ -196,7 +196,7 @@ public:
// Check that each period has number of spectra = number of groups
TS_ASSERT_EQUALS(matrixWS->getNumberHistograms(), grouping.groups.size());
// Check that each period has been corrected for dead time
- TS_ASSERT_DELTA(matrixWS->getSpectrum(0).dataY().at(0),
+ TS_ASSERT_DELTA(matrixWS->getSpectrum(0).y()[0],
i == 0 ? 84.1692 : 16.0749, 0.0001);
}
}
@@ -263,7 +263,7 @@ public:
const auto outputWS =
boost::dynamic_pointer_cast<Mantid::API::MatrixWorkspace>(analysed);
TS_ASSERT(outputWS);
- const auto &data = outputWS->dataY(0);
+ const auto &data = outputWS->y(0);
TS_ASSERT_EQUALS(data.size(), 617);
for (size_t i = 0; i < expectedOutput.size(); i++) {
TS_ASSERT_DELTA(data[i], expectedOutput[i], 1e-6);
diff --git a/MantidQt/CustomInterfaces/test/MuonAnalysisHelperTest.h b/MantidQt/CustomInterfaces/test/MuonAnalysisHelperTest.h
index a99610cb87796108b85b2b51a6f64cb2fafd6195..c1746a38ddd5ccdad2aa943eded3286343909411 100644
--- a/MantidQt/CustomInterfaces/test/MuonAnalysisHelperTest.h
+++ b/MantidQt/CustomInterfaces/test/MuonAnalysisHelperTest.h
@@ -3,7 +3,6 @@
#include <cxxtest/TestSuite.h>
-#include "MantidQtCustomInterfaces/Muon/MuonAnalysisHelper.h"
#include "MantidAPI/AlgorithmManager.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/FrameworkManager.h"
@@ -14,6 +13,7 @@
#include "MantidAPI/WorkspaceGroup.h"
#include "MantidGeometry/Instrument.h"
#include "MantidKernel/TimeSeriesProperty.h"
+#include "MantidQtCustomInterfaces/Muon/MuonAnalysisHelper.h"
#include "MantidTestHelpers/WorkspaceCreationHelper.h"
using namespace MantidQt::CustomInterfaces::MuonAnalysisHelper;
@@ -154,9 +154,9 @@ public:
TS_ASSERT_EQUALS(result->getNumberHistograms(), 1);
TS_ASSERT_EQUALS(result->blocksize(), 3);
- TS_ASSERT_EQUALS(result->readY(0)[0], 6);
- TS_ASSERT_EQUALS(result->readY(0)[1], 6);
- TS_ASSERT_EQUALS(result->readY(0)[2], 6);
+ TS_ASSERT_EQUALS(result->y(0)[0], 6);
+ TS_ASSERT_EQUALS(result->y(0)[1], 6);
+ TS_ASSERT_EQUALS(result->y(0)[2], 6);
TS_ASSERT_EQUALS(result->run().getProperty("run_number")->value(),
"15189-91");
@@ -166,8 +166,8 @@ public:
end.toSimpleString());
// Original workspaces shouldn't be touched
- TS_ASSERT_EQUALS(ws1->readY(0)[0], 2);
- TS_ASSERT_EQUALS(ws3->readY(0)[2], 2);
+ TS_ASSERT_EQUALS(ws1->y(0)[0], 2);
+ TS_ASSERT_EQUALS(ws3->y(0)[2], 2);
}
void test_findConsecutiveRuns() {
diff --git a/MantidQt/CustomInterfaces/test/ReflMockObjects.h b/MantidQt/CustomInterfaces/test/ReflMockObjects.h
index c53579a72bae8f8073eb1fd310c6dee870440f80..a4710201ab37cdf697a480f508798b65130f499d 100644
--- a/MantidQt/CustomInterfaces/test/ReflMockObjects.h
+++ b/MantidQt/CustomInterfaces/test/ReflMockObjects.h
@@ -97,7 +97,9 @@ public:
MOCK_CONST_METHOD0(getTransmissionRuns, std::string());
MOCK_CONST_METHOD1(setPolarisationOptionsEnabled, void(bool));
MOCK_CONST_METHOD1(setExpDefaults, void(const std::vector<std::string> &));
- MOCK_CONST_METHOD1(setInstDefaults, void(const std::vector<double> &));
+ MOCK_CONST_METHOD2(setInstDefaults, void(const std::vector<double> &,
+ const std::vector<std::string> &));
+ MOCK_CONST_METHOD0(getDetectorCorrectionType, std::string());
// Calls we don't care about
void
createStitchHints(const std::map<std::string, std::string> &hints) override {
diff --git a/MantidQt/CustomInterfaces/test/ReflSettingsPresenterTest.h b/MantidQt/CustomInterfaces/test/ReflSettingsPresenterTest.h
index c6c7694def92615fb3b15cbc8286d0265d913f85..bbb57d693aa51b97ea0b0be279eb866c4aefbf8a 100644
--- a/MantidQt/CustomInterfaces/test/ReflSettingsPresenterTest.h
+++ b/MantidQt/CustomInterfaces/test/ReflSettingsPresenterTest.h
@@ -159,6 +159,9 @@ public:
EXPECT_CALL(mockView, getProcessingInstructions())
.Times(Exactly(1))
.WillOnce(Return("3,4"));
+ EXPECT_CALL(mockView, getDetectorCorrectionType())
+ .Times(Exactly(1))
+ .WillOnce(Return("VerticalShift"));
EXPECT_CALL(mockView, getTransmissionRuns())
.Times(Exactly(1))
.WillOnce(Return("INTER00013463,INTER00013464"));
@@ -172,7 +175,7 @@ public:
std::vector<std::string> optionsVec;
boost::split(optionsVec, options, split_q());
- TS_ASSERT_EQUALS(optionsVec.size(), 22);
+ TS_ASSERT_EQUALS(optionsVec.size(), 23);
TS_ASSERT_EQUALS(optionsVec[0], "AnalysisMode=MultiDetectorAnalysis");
TS_ASSERT_EQUALS(optionsVec[1], "CRho=\"2.5,0.4,1.1\"");
TS_ASSERT_EQUALS(optionsVec[2], "CAlpha=\"0.6,0.9,1.2\"");
@@ -191,11 +194,12 @@ public:
TS_ASSERT_EQUALS(optionsVec[15], "ScaleFactor=2");
TS_ASSERT_EQUALS(optionsVec[16], "MomentumTransferStep=-0.02");
TS_ASSERT_EQUALS(optionsVec[17], "ProcessingInstructions=\"3,4\"");
- TS_ASSERT_EQUALS(optionsVec[18], "StartOverlap=10");
- TS_ASSERT_EQUALS(optionsVec[19], "EndOverlap=12");
- TS_ASSERT_EQUALS(optionsVec[20],
- "FirstTransmissionRun=TRANS_INTER00013463");
+ TS_ASSERT_EQUALS(optionsVec[18], "DetectorCorrectionType=VerticalShift");
+ TS_ASSERT_EQUALS(optionsVec[19], "StartOverlap=10");
+ TS_ASSERT_EQUALS(optionsVec[20], "EndOverlap=12");
TS_ASSERT_EQUALS(optionsVec[21],
+ "FirstTransmissionRun=TRANS_INTER00013463");
+ TS_ASSERT_EQUALS(optionsVec[22],
"SecondTransmissionRun=TRANS_INTER00013464");
TS_ASSERT(AnalysisDataService::Instance().doesExist("TRANS_INTER00013463"));
@@ -258,9 +262,12 @@ public:
.Times(Exactly(1));
presenter.setInstrumentName("INTER");
- std::vector<double> defaults = {1., 4.0, 10., 17., 18., 1.5, 17., 2.0};
+ std::vector<double> defaults_double = {1., 4.0, 10., 17.,
+ 18., 1.5, 17., 2.0};
+ std::vector<std::string> defaults_str = {"VerticalShift"};
- EXPECT_CALL(mockView, setInstDefaults(defaults)).Times(1);
+ EXPECT_CALL(mockView, setInstDefaults(defaults_double, defaults_str))
+ .Times(1);
presenter.notify(IReflSettingsPresenter::InstDefaultsFlag);
TS_ASSERT(Mock::VerifyAndClearExpectations(&mockView));
}
diff --git a/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/WorkspacePresenter/QWorkspaceDockView.h b/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/WorkspacePresenter/QWorkspaceDockView.h
index 3c272c5087d9b6efe7dccf6c3079ae17532fbc36..6d3dd9aa550072b3dd39084c7e8c726a832938b1 100644
--- a/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/WorkspacePresenter/QWorkspaceDockView.h
+++ b/MantidQt/MantidWidgets/inc/MantidQtMantidWidgets/WorkspacePresenter/QWorkspaceDockView.h
@@ -198,6 +198,7 @@ public slots:
void sortDescending();
void chooseByName();
void chooseByLastModified();
+ void keyPressEvent(QKeyEvent *) override;
protected slots:
void popupMenu(const QPoint &pos);
@@ -291,4 +292,4 @@ signals:
};
}
}
-#endif // MANTIDQT_MANTIDWIDGETS_QWORKSPACEDOCKVIEW_H
\ No newline at end of file
+#endif // MANTIDQT_MANTIDWIDGETS_QWORKSPACEDOCKVIEW_H
diff --git a/MantidQt/MantidWidgets/src/InstrumentView/InstrumentWidgetMaskTab.cpp b/MantidQt/MantidWidgets/src/InstrumentView/InstrumentWidgetMaskTab.cpp
index 139b61543caa0db6800c1ceea46c79bf63eba171..70e65ee1753403998bcba1c569e306391a12981d 100644
--- a/MantidQt/MantidWidgets/src/InstrumentView/InstrumentWidgetMaskTab.cpp
+++ b/MantidQt/MantidWidgets/src/InstrumentView/InstrumentWidgetMaskTab.cpp
@@ -550,7 +550,7 @@ void InstrumentWidgetMaskTab::setProperties() {
m_userEditing = false;
// bounding rect property
- QtProperty *boundingRectGroup = m_groupManager->addProperty("Bounging Rect");
+ QtProperty *boundingRectGroup = m_groupManager->addProperty("Bounding Rect");
m_browser->addProperty(boundingRectGroup);
m_left = addDoubleProperty("left");
m_top = addDoubleProperty("top");
diff --git a/MantidQt/MantidWidgets/src/InstrumentView/RotationSurface.cpp b/MantidQt/MantidWidgets/src/InstrumentView/RotationSurface.cpp
index a1cd14e0cc1c60c5f0fda43f4bc669fc563f44cf..b25ed3d8686ee030e8196b8bc4e8c5fad4f4944a 100644
--- a/MantidQt/MantidWidgets/src/InstrumentView/RotationSurface.cpp
+++ b/MantidQt/MantidWidgets/src/InstrumentView/RotationSurface.cpp
@@ -162,6 +162,7 @@ void RotationSurface::init() {
udet.u = applyUCorrection(udet.u);
}
}
+ updateViewRectForUCorrection();
}
/** Update the view rect to account for the U correction
diff --git a/MantidQt/MantidWidgets/src/WorkspacePresenter/QWorkspaceDockView.cpp b/MantidQt/MantidWidgets/src/WorkspacePresenter/QWorkspaceDockView.cpp
index 1afc332d28e808c27590145d2a1cc5ea7f1c740b..89e1e64c1443f700339bc391fade683379eff086 100644
--- a/MantidQt/MantidWidgets/src/WorkspacePresenter/QWorkspaceDockView.cpp
+++ b/MantidQt/MantidWidgets/src/WorkspacePresenter/QWorkspaceDockView.cpp
@@ -24,6 +24,7 @@
#include <QFileDialog>
#include <QHash>
+#include <QKeyEvent>
#include <QMainWindow>
#include <QMenu>
#include <QMessageBox>
@@ -1565,6 +1566,15 @@ void QWorkspaceDockView::showColourFillPlot() {
m_mantidUI->drawColorFillPlots(allWsNames);
}
+void QWorkspaceDockView::keyPressEvent(QKeyEvent *e) {
+ switch (e->key()) {
+ case Qt::Key_Delete:
+ case Qt::Key_Backspace:
+ m_presenter->notifyFromView(ViewNotifiable::Flag::DeleteWorkspaces);
+ break;
+ }
+}
+
void QWorkspaceDockView::onClickShowDetectorTable() {
m_presenter->notifyFromView(ViewNotifiable::Flag::ShowDetectorsTable);
}
diff --git a/Testing/Data/SystemTest/BenzeneLargerOrderAbins.nxs.md5 b/Testing/Data/SystemTest/BenzeneLargerOrderAbins.nxs.md5
index 68584eda03e942d7906135a10c1ef8bee8c9386d..9e2494c9394be9404e21f9fb5aa9f7c56b8eac3e 100644
--- a/Testing/Data/SystemTest/BenzeneLargerOrderAbins.nxs.md5
+++ b/Testing/Data/SystemTest/BenzeneLargerOrderAbins.nxs.md5
@@ -1 +1 @@
-c00f071587df0eb690c0626c7d50c6b7
+36df84d9a0bcecc9d43350a474027f20
diff --git a/Testing/Data/SystemTest/BenzeneScale.nxs.md5 b/Testing/Data/SystemTest/BenzeneScale.nxs.md5
new file mode 100644
index 0000000000000000000000000000000000000000..5d5798907a26f01a372561ee0a3eb1ed57d9068d
--- /dev/null
+++ b/Testing/Data/SystemTest/BenzeneScale.nxs.md5
@@ -0,0 +1 @@
+923d886b3cbad14bffa14c75782a5c50
diff --git a/Testing/Data/SystemTest/BenzeneScratchAbins.nxs.md5 b/Testing/Data/SystemTest/BenzeneScratchAbins.nxs.md5
index 3f212423561e7722be79d5b4171e479170d04952..6f7065e6d691451838c32835f4af98ac60111193 100644
--- a/Testing/Data/SystemTest/BenzeneScratchAbins.nxs.md5
+++ b/Testing/Data/SystemTest/BenzeneScratchAbins.nxs.md5
@@ -1 +1 @@
-4b6c42f07033ded1f17f2d42008d3c64
+91f709686e985858b7e6334e6356fefb
diff --git a/Testing/Data/SystemTest/BenzeneSmallerOrderAbins.nxs.md5 b/Testing/Data/SystemTest/BenzeneSmallerOrderAbins.nxs.md5
index a2c649bb3396e9f767ca6516ee90245f164cc657..38d05fdef2213ca6916994b3b0798051713b2cf3 100644
--- a/Testing/Data/SystemTest/BenzeneSmallerOrderAbins.nxs.md5
+++ b/Testing/Data/SystemTest/BenzeneSmallerOrderAbins.nxs.md5
@@ -1 +1 @@
-4139453fd1081e415a364973e3779cca
+1c5de7f7bd927680b4869112ae62dc03
diff --git a/Testing/Data/SystemTest/BenzeneTAbins.nxs.md5 b/Testing/Data/SystemTest/BenzeneTAbins.nxs.md5
index b65091e969d0613c163da0eb80abb1249c049b80..b19fcf532d98c8cb7f5c41d5eb4d6ecd46cd1279 100644
--- a/Testing/Data/SystemTest/BenzeneTAbins.nxs.md5
+++ b/Testing/Data/SystemTest/BenzeneTAbins.nxs.md5
@@ -1 +1 @@
-5970791a49af584310af004fb26d055c
+036359f44df9beb793e5d7e267e96f15
diff --git a/Testing/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5 b/Testing/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5
index 6ef76f52f0e9fe537a602065820f2c287feef8c8..8b7942b4adf98d6ec367c1710f3e2820f1577309 100644
--- a/Testing/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5
+++ b/Testing/Data/SystemTest/Crystalb3lypScratchAbins.nxs.md5
@@ -1 +1 @@
-30f46fc38d280d27f944d8a078699ec2
+b9299d7d95aee7a583bfa5939a2247d7
diff --git a/Testing/Data/UnitTest/Si2-sc_CalculatePowder_powder.txt.md5 b/Testing/Data/UnitTest/Si2-sc_CalculatePowder_powder.txt.md5
index ba734c164862dbbc92abae5c9c1980acc2de388d..090683f0a2b55c6d630b427a262466822bb1ed07 100644
--- a/Testing/Data/UnitTest/Si2-sc_CalculatePowder_powder.txt.md5
+++ b/Testing/Data/UnitTest/Si2-sc_CalculatePowder_powder.txt.md5
@@ -1 +1 @@
-c907ea22a74082b61c6f81192503ea15
+3ecf242b5538fa3df2f6b443548120db
diff --git a/Testing/Data/UnitTest/Si2-sc_CalculateSPowder_S.txt.md5 b/Testing/Data/UnitTest/Si2-sc_CalculateSPowder_S.txt.md5
index c8963c74236cce44341ba58e679c5ce42c30c2a6..df39e4d15718befa75fc463f0ba25e80a5709c7f 100644
--- a/Testing/Data/UnitTest/Si2-sc_CalculateSPowder_S.txt.md5
+++ b/Testing/Data/UnitTest/Si2-sc_CalculateSPowder_S.txt.md5
@@ -1 +1 @@
-d7b15926be182560527f3266e625b379
+c89208aab5f05dec2b1dc301acedc098
diff --git a/Testing/Data/UnitTest/benzene_CalculatePowder_powder.txt.md5 b/Testing/Data/UnitTest/benzene_CalculatePowder_powder.txt.md5
index b048feaa664cadeafdf260be2b61e8e919827733..0c27478413b071d7ae0c716ab0fc8872c0b0dc33 100644
--- a/Testing/Data/UnitTest/benzene_CalculatePowder_powder.txt.md5
+++ b/Testing/Data/UnitTest/benzene_CalculatePowder_powder.txt.md5
@@ -1 +1 @@
-891f2c88d600bbdd69a2b7d5a1b5c872
+769f015c42985496ee5218621b206602
diff --git a/Testing/Data/UnitTest/squaricn_sum_CalculateSPowder_S.txt.md5 b/Testing/Data/UnitTest/squaricn_sum_CalculateSPowder_S.txt.md5
index 35eec61e3c37b4f87c7d3869874347e4f2d786f5..b37525d629cb7d88f0da55120557e3ddabef31c8 100644
--- a/Testing/Data/UnitTest/squaricn_sum_CalculateSPowder_S.txt.md5
+++ b/Testing/Data/UnitTest/squaricn_sum_CalculateSPowder_S.txt.md5
@@ -1 +1 @@
-c853db9391459be5161a4e57f318b900
+94f9d94cc7344dd85a375de868086780
diff --git a/Testing/SystemTests/tests/analysis/AbinsTest.py b/Testing/SystemTests/tests/analysis/AbinsTest.py
index 23f8960595454c485ae7f7bd04b3f6b5dc3f20b5..0b3138f64e58a1028c06905f1b796bbde1cf0454 100644
--- a/Testing/SystemTests/tests/analysis/AbinsTest.py
+++ b/Testing/SystemTests/tests/analysis/AbinsTest.py
@@ -286,7 +286,7 @@ class AbinsCASTEPTestScale(stresstesting.MantidStressTest, HelperTestingClass):
In this benchmark it is tested if scaling is correct.
"""
_wrk_1 = None
- _wrk_2 = None
+ _ref_result = None
def skipTests(self):
return skip_tests()
@@ -296,7 +296,8 @@ class AbinsCASTEPTestScale(stresstesting.MantidStressTest, HelperTestingClass):
scaling_factor = 2.0
- name = "BenzeneNoScale"
+ name = "BenzeneScale"
+ self.ref_result = name + ".nxs"
self.set_dft_program("CASTEP")
self.set_name(name)
self.set_order(AbinsConstants.QUANTUM_ORDER_TWO)
@@ -308,21 +309,8 @@ class AbinsCASTEPTestScale(stresstesting.MantidStressTest, HelperTestingClass):
Operation='Multiply',
Factor=scaling_factor)
- self._output_name = ""
- name = "BenzeneScale"
- self.set_dft_program("CASTEP")
- self.set_name(name)
- self.set_order(AbinsConstants.QUANTUM_ORDER_TWO)
- self.set_scale(scaling_factor)
- self.case_from_scratch()
-
- self._wrk_2 = self._output_name
-
- def validateMethod(self):
- return "validateWorkspaceToWorkspace"
-
def validate(self):
- return self._wrk_1, self._wrk_2
+ return self._output_name, self.ref_result
# ----------------------------------------------------------------------------------------------------------------
# Tests for 2D S
diff --git a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionGemTest.py b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionGemTest.py
index 8f1f41fb392a4a813ce546e78e74b34389bcb233..fdf96948edf8424c97c446efb70a80d20ad1547c 100644
--- a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionGemTest.py
+++ b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionGemTest.py
@@ -1,5 +1,6 @@
# pylint: disable=no-init,attribute-defined-outside-init,too-many-public-methods
+from __future__ import (absolute_import, division, print_function)
from mantid.api import AnalysisDataService, MatrixWorkspace, WorkspaceGroup, \
ITableWorkspace
from mantid.simpleapi import *
@@ -34,8 +35,8 @@ class ISISPowderDiffractionGem(stresstesting.MantidStressTest):
for files in filenames:
path = os.path.join(directories[0], files)
os.remove(path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
@@ -209,8 +210,8 @@ class ISISPowderDiffractionGem2(stresstesting.MantidStressTest):
os.remove(path)
cali_path = os.path.join(directories[0], "GEM/test/Cycle_09_5_No_ExtV/Calibration")
shutil.rmtree(cali_path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
diff --git a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionHrpdTest.py b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionHrpdTest.py
index 839e3352b8ad8b6a040b96986371eb9443d1bfc7..c40bc1912aadfcdfe100d3738dae06f83a7da4dd 100644
--- a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionHrpdTest.py
+++ b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionHrpdTest.py
@@ -1,5 +1,6 @@
# pylint: disable=no-init,attribute-defined-outside-init,too-few-public-methods,too-many-public-methods
+from __future__ import (absolute_import, division, print_function)
from mantid.api import AnalysisDataService, MatrixWorkspace, WorkspaceGroup
from mantid.simpleapi import *
from mantid import config
@@ -26,8 +27,8 @@ class ISISPowderDiffractionHrpd1(stresstesting.MantidStressTest):
for files in filenames:
path = os.path.join(directories[0], files)
os.remove(path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
@@ -179,8 +180,8 @@ class ISISPowderDiffractionHrpd2(stresstesting.MantidStressTest):
os.remove(path)
cali_path = os.path.join(directories[0], "hrpd/test/cycle_09_2_no_existv/Calibration")
shutil.rmtree(cali_path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
diff --git a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionPolarisTest.py b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionPolarisTest.py
index ee9178f125853691b9d3d3c6581a83e2e095f02b..3837c16389dfa5989a62afe56cece05072fdd0b5 100644
--- a/Testing/SystemTests/tests/analysis/ISISPowderDiffractionPolarisTest.py
+++ b/Testing/SystemTests/tests/analysis/ISISPowderDiffractionPolarisTest.py
@@ -1,5 +1,6 @@
# pylint: disable=no-init,attribute-defined-outside-init,too-many-public-methods
+from __future__ import (absolute_import, division, print_function)
from mantid.api import AnalysisDataService, MatrixWorkspace, WorkspaceGroup, \
ITableWorkspace
from mantid.simpleapi import *
@@ -31,8 +32,8 @@ class ISISPowderDiffractionPol(stresstesting.MantidStressTest):
os.remove(path)
cali_path = os.path.join(directories[0], "POLARIS/test/Cycle_15_2/Calibration")
shutil.rmtree(cali_path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
@@ -279,8 +280,8 @@ class ISISPowderDiffractionPol2(stresstesting.MantidStressTest):
for files in filenames:
path = os.path.join(directories[0], files)
os.remove(path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
@@ -448,8 +449,8 @@ class ISISPowderDiffractionPol3(stresstesting.MantidStressTest):
os.remove(path)
cali_path = os.path.join(directories[0], "POLARIS/test/Cycle_16_1/Calibration")
shutil.rmtree(cali_path)
- except OSError, ose:
- print 'could not delete generated file : ', ose.filename
+ except OSError as ose:
+ print('could not delete generated file : ', ose.filename)
def runTest(self):
self._success = False
diff --git a/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py b/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
index 6e8179aaa2cd43a9a0f859b3ffb5061064b05e1d..79b760a18f905555e4dc8df4064fc58142143207 100644
--- a/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
+++ b/Testing/SystemTests/tests/analysis/LoadVesuvioTest.py
@@ -1,7 +1,7 @@
#pylint: disable=invalid-name,no-init,too-many-public-methods,too-many-arguments
import stresstesting
-from mantid.api import MatrixWorkspace, mtd
+from mantid.api import FileFinder, MatrixWorkspace, mtd
import mantid.simpleapi as ms
import math
@@ -46,6 +46,25 @@ class VesuvioTests(unittest.TestCase):
#================== Success cases ================================
+ def test_filename_accepts_full_filepath(self):
+ diff_mode = "FoilOut"
+ rawfile = FileFinder.getFullPath("EVS14188.raw")
+ self._run_load(rawfile, "3", diff_mode)
+ self.assertTrue(mtd.doesExist('evs_raw'))
+ self.assertEquals(mtd['evs_raw'].getNumberHistograms(), 1)
+
+ def test_filename_accepts_filename_no_path(self):
+ diff_mode = "FoilOut"
+ self._run_load("EVS14188.raw", "3", diff_mode)
+ self.assertTrue(mtd.doesExist('evs_raw'))
+ self.assertEquals(mtd['evs_raw'].getNumberHistograms(), 1)
+
+ def test_filename_accepts_run_and_ext(self):
+ diff_mode = "FoilOut"
+ self._run_load("14188.raw", "3", diff_mode)
+ self.assertTrue(mtd.doesExist('evs_raw'))
+ self.assertEquals(mtd['evs_raw'].getNumberHistograms(), 1)
+
def test_load_with_back_scattering_spectra_produces_correct_workspace_using_double_difference(self):
diff_mode = "DoubleDifference"
self._run_load("14188", "3-134", diff_mode)
diff --git a/Testing/SystemTests/tests/analysis/MagnetismReflectometryReductionTest.py b/Testing/SystemTests/tests/analysis/MagnetismReflectometryReductionTest.py
index d33b57efa6300a46e214c9cf915e499bd56d8b4c..956241526035b046b8fd5cf93b902fa82fad1f31 100644
--- a/Testing/SystemTests/tests/analysis/MagnetismReflectometryReductionTest.py
+++ b/Testing/SystemTests/tests/analysis/MagnetismReflectometryReductionTest.py
@@ -19,12 +19,14 @@ class MagnetismReflectometryReductionTest(stresstesting.MantidStressTest):
LowResDataAxisPixelRange=[91, 161],
CutLowResNormAxis=True,
LowResNormAxisPixelRange=[86, 174],
- CutTOFRange=True,
+ CutTimeAxis=True,
+ UseWLTimeAxis=False,
QMin=0.005,
- QStep=0.01,
- TOFSteps=40,
- TOFRange=[25000, 54000],
+ QStep=-0.01,
+ TimeAxisStep=40,
+ TimeAxisRange=[25000, 54000],
SpecularPixel=126.9,
+ ConstantQBinning=False,
EntryName='entry-Off_Off',
OutputWorkspace="r_24949")
diff --git a/Testing/SystemTests/tests/analysis/PEARLSystemTest.py b/Testing/SystemTests/tests/analysis/PEARLSystemTest.py
deleted file mode 100644
index 37773c081bca3104c3d331318d30af413e35dca7..0000000000000000000000000000000000000000
--- a/Testing/SystemTests/tests/analysis/PEARLSystemTest.py
+++ /dev/null
@@ -1,383 +0,0 @@
-#pylint: disable=invalid-name
-from __future__ import (absolute_import, division, print_function)
-import stresstesting
-from mantid.simpleapi import *
-from mantid import *
-import os
-import numpy as n
-from abc import ABCMeta, abstractmethod
-
-#pylint: disable=too-many-instance-attributes
-
-
-class PEARL_Reduction(stresstesting.MantidStressTest):
- '''Test adapted from actual script used by the scientists'''
- __metaclass__ = ABCMeta # Mark as an abstract class
- validate=None
-
- def __init__(self):
- stresstesting.MantidStressTest.__init__(self)
- self.attenfile = "PRL112_DC25_10MM_FF.OUT"
- self.tofbinning="1500,-0.0006,19900"
- self.calfile="pearl_offset_12_1.cal"
- self.groupfile="pearl_group_12_1_TT70.cal"
- self.vanfile="van_spline_TT70_cycle_12_1.nxs"
- self.cycle="12_1"
- self.instver="new2"
- self.mode="all"
- self.tt_mode="TT70"
- self.saved_outfile = ''
- self.saved_gssfile = ''
- self.reference_nexus = ''
- self.reference_gss = ''
- self.reference_workspace = ''
-
- def runTest(self):
- self.do_focus()
-
- def doValidation(self):
- '''Override doValidation to vaildate two things at the same time'''
- # reset validate() method to call validateNexus() instead
- self.validate = self.validateNexus
- res = self.validateWorkspaceToNeXus()
- if not res:
- return False
- # reset validate() method to call validateGSS() instead
- self.validate = self.validateGSS
- res = self.validateASCII()
- return res
-
- def cleanup(self):
- '''Remove temporary files'''
- if os.path.exists(self.saved_outfile):
- os.remove(self.saved_outfile)
- if os.path.exists(self.saved_gssfile):
- os.remove(self.saved_gssfile)
-
- @abstractmethod
- def do_focus(self):
- raise NotImplementedError("Implmenent do_focus to do actual test.")
-
- def validateNexus(self):
- '''Compare the result of reduction with the reference nexus file'''
- return self.reference_workspace,self.reference_nexus
-
- def validateGSS(self):
- '''Validate the created gss file'''
- return self.saved_gssfile,FileFinder.getFullPath(self.reference_gss)
-
- def PEARL_getlambdarange(self):
- return 0.03,6.00
-
- def PEARL_getmonitorspectrum(self, dummy_runno):
- return 1
-
- def PEARL_getfilename(self, run_number,ext):
- digit=len(str(run_number))
-
- numdigits=8
- filename="PEARL"
-
- for dummy_i in range(0,numdigits-digit):
- filename=filename+"0"
-
- filename+=str(run_number)+"."+ext
- return filename
-
- def PearlLoad(self, files,ext,outname):
-
- if isinstance(files, int):
- infile=self.PEARL_getfilename(files,ext)
- LoadRaw(Filename=infile,OutputWorkspace=outname,LoadLogFiles="0")
- else:
- loop=0
- num=files.split("_")
- frange=list(range(int(num[0]),int(num[1])+1))
- for i in frange:
- infile=self.PEARL_getfilename(i,ext)
- outwork="run"+str(i)
- LoadRaw(Filename=infile,OutputWorkspace=outwork,LoadLogFiles="0")
- loop=loop+1
- if loop == 2:
- firstwk="run"+str(i-1)
- secondwk="run"+str(i)
- Plus(LHSWorkspace=firstwk,RHSWorkspace=secondwk,OutputWorkspace=outname)
- mtd.remove(firstwk)
- mtd.remove(secondwk)
- elif loop > 2:
- secondwk="run"+str(i)
- Plus(LHSWorkspace=outname,RHSWorkspace=secondwk,OutputWorkspace=outname)
- mtd.remove(secondwk)
- return
-
- def PearlLoadMon(self, files,ext,outname):
-
- if isinstance(files, int):
- infile=self.PEARL_getfilename(files,ext)
- mspectra=self.PEARL_getmonitorspectrum(files)
- LoadRaw(Filename=infile,OutputWorkspace=outname,SpectrumMin=mspectra,SpectrumMax=mspectra,LoadLogFiles="0")
- else:
- loop=0
- num=files.split("_")
- frange=list(range(int(num[0]),int(num[1])+1))
- mspectra=self.PEARL_getmonitorspectrum(int(num[0]))
- for i in frange:
- infile=self.PEARL_getfilename(i,ext)
- outwork="mon"+str(i)
- LoadRaw(Filename=infile,OutputWorkspace=outwork,SpectrumMin=mspectra,SpectrumMax=mspectra,LoadLogFiles="0")
- loop=loop+1
- if loop == 2:
- firstwk="mon"+str(i-1)
- secondwk="mon"+str(i)
- Plus(LHSWorkspace=firstwk,RHSWorkspace=secondwk,OutputWorkspace=outname)
- mtd.remove(firstwk)
- mtd.remove(secondwk)
- elif loop > 2:
- secondwk="mon"+str(i)
- Plus(LHSWorkspace=outname,RHSWorkspace=secondwk,OutputWorkspace=outname)
- mtd.remove(secondwk)
- return
-
- def PEARL_getmonitor(self, number,ext,spline_terms=20):
-
- works="monitor"+str(number)
- self.PearlLoadMon(number,ext,works)
- ConvertUnits(InputWorkspace=works,OutputWorkspace=works,Target="Wavelength")
- lmin,lmax=self.PEARL_getlambdarange()
- CropWorkspace(InputWorkspace=works,OutputWorkspace=works,XMin=lmin,XMax=lmax)
- ex_regions=n.zeros((2,4))
- ex_regions[:,0]=[3.45,3.7]
- ex_regions[:,1]=[2.96,3.2]
- ex_regions[:,2]=[2.1,2.26]
- ex_regions[:,3]=[1.73,1.98]
-
- for reg in range(0,4):
- MaskBins(InputWorkspace=works,OutputWorkspace=works,XMin=ex_regions[0,reg],XMax=ex_regions[1,reg])
-
- SplineBackground(InputWorkspace=works,OutputWorkspace=works,WorkspaceIndex=0,NCoeff=spline_terms)
- return works
-
- def PEARL_read(self, number,ext,outname):
- self.PearlLoad(number,ext,outname)
- ConvertUnits(InputWorkspace=outname,OutputWorkspace=outname,Target="Wavelength")
- monitor=self.PEARL_getmonitor(number,ext,spline_terms=20)
- NormaliseToMonitor(InputWorkspace=outname,OutputWorkspace=outname,MonitorWorkspace=monitor,
- IntegrationRangeMin=0.6,IntegrationRangeMax=5.0)
- ConvertUnits(InputWorkspace=outname,OutputWorkspace=outname,Target="TOF")
- mtd.remove(monitor)
- return
-
- def PEARL_remove_workspaces(self):
- for i in range(0,14):
- output="mod"+str(i+1)
- van="van"+str(i+1)
- rdata="rdata"+str(i+1)
- mtd.remove(rdata)
- mtd.remove(van)
- mtd.remove(output)
-
- def PEARL_focus(self, number,ext="raw",fmode="trans",ttmode="TT70",atten=True,van_norm=True):
-
- self.tt_mode=ttmode
- self.mode=fmode
-
- work="work"
- focus="focus"
-
- outfile="PRL"+str(number)+".nxs"
- gssfile="PRL"+str(number)+".gss"
- outwork="PRL"+str(number)
-
- self.PEARL_read(number,ext,work)
- Rebin(InputWorkspace=work,OutputWorkspace=work,Params=self.tofbinning)
- AlignDetectors(InputWorkspace=work,OutputWorkspace=work,CalibrationFile=self.calfile)
- DiffractionFocussing(InputWorkspace=work,OutputWorkspace=focus,GroupingFileName=self.groupfile)
-
- mtd.remove(work)
-
- for i in range(0,14):
- output="mod"+str(i+1)
- van="van"+str(i+1)
- rdata="rdata"+str(i+1)
- if van_norm:
- LoadNexus(Filename=self.vanfile,OutputWorkspace=van,EntryNumber=i+1)
- ExtractSingleSpectrum(InputWorkspace=focus,OutputWorkspace=rdata,WorkspaceIndex=i)
- Rebin(InputWorkspace=van,OutputWorkspace=van,Params=self.tofbinning)
- ConvertUnits(InputWorkspace=rdata,OutputWorkspace=rdata,Target="TOF")
- Rebin(InputWorkspace=rdata,OutputWorkspace=rdata,Params=self.tofbinning)
- Divide(LHSWorkspace=rdata,RHSWorkspace=van,OutputWorkspace=output)
- CropWorkspace(InputWorkspace=output,OutputWorkspace=output,XMin=0.1)
- Scale(InputWorkspace=output,OutputWorkspace=output,Factor=10)
- else:
- ExtractSingleSpectrum(InputWorkspace=focus,OutputWorkspace=rdata,WorkspaceIndex=i)
- ConvertUnits(InputWorkspace=rdata,OutputWorkspace=rdata,Target="TOF")
- Rebin(InputWorkspace=rdata,OutputWorkspace=output,Params=self.tofbinning)
- CropWorkspace(InputWorkspace=output,OutputWorkspace=output,XMin=0.1)
-
- mtd.remove(focus)
-
- if self.mode=="all":
- CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="bank1")
- for i in range(1,9):
- toadd="mod"+str(i+1)
- Plus(LHSWorkspace="bank1",RHSWorkspace=toadd,OutputWorkspace="bank1")
- Scale(InputWorkspace="bank1",OutputWorkspace="bank1",Factor=0.111111111111111)
- SaveGSS(InputWorkspace="bank1",Filename=gssfile,Append=False,Bank=1)
- ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="bank1",Append=False)
- for i in range(0,5):
- tosave="mod"+str(i+10)
- SaveGSS(InputWorkspace=tosave,Filename=gssfile,Append=True,Bank=i+2)
- ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
-
- self.PEARL_remove_workspaces()
- mtd.remove("bank1")
-
- elif self.mode=="groups":
- CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="group1")
- CloneWorkspace(InputWorkspace="mod4",OutputWorkspace="group2")
- CloneWorkspace(InputWorkspace="mod7",OutputWorkspace="group3")
- for i in range(1,3):
- toadd="mod"+str(i+1)
- Plus(LHSWorkspace="group1",RHSWorkspace=toadd,OutputWorkspace="group1")
- Scale(InputWorkspace="group1",OutputWorkspace="group1",Factor=0.333333333333)
- for i in range(1,3):
- toadd="mod"+str(i+4)
- Plus(LHSWorkspace="group2",RHSWorkspace=toadd,OutputWorkspace="group2")
- Scale(InputWorkspace="group2",OutputWorkspace="group2",Factor=0.333333333333)
- for i in range(1,3):
- toadd="mod"+str(i+7)
- Plus(LHSWorkspace="group3",RHSWorkspace=toadd,OutputWorkspace="group3")
- Scale(InputWorkspace="group3",OutputWorkspace="group3",Factor=0.333333333333)
- Plus(LHSWorkspace="group2",RHSWorkspace="group3",OutputWorkspace="group23")
- Scale(InputWorkspace="group23",OutputWorkspace="group23",Factor=0.5)
- SaveGSS("group1",Filename=gssfile,Append=False,Bank=1)
- ConvertUnits(InputWorkspace="group1",OutputWorkspace="group1",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="group1",Append=False)
- SaveGSS(InputWorkspace="group2",Filename=gssfile,Append=True,Bank=2)
- ConvertUnits(InputWorkspace="group2",OutputWorkspace="group2",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="group2",Append=True)
- SaveGSS(InputWorkspace="group3",Filename=gssfile,Append=True,Bank=3)
- ConvertUnits(InputWorkspace="group3",OutputWorkspace="group3",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="group3",Append=True)
- SaveGSS(InputWorkspace="group23",Filename=gssfile,Append=True,Bank=4)
- ConvertUnits(InputWorkspace="group23",OutputWorkspace="group23",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="group23",Append=True)
- for i in range(0,3):
- tosave="mod"+str(i+10)
- SaveGSS(InputWorkspace=tosave,Filename=gssfile,Append=True,Bank=i+5)
- ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
- self.PEARL_remove_workspaces()
- mtd.remove("group1")
- mtd.remove("group2")
- mtd.remove("group3")
- mtd.remove("group23")
-
- elif self.mode=="trans":
- CloneWorkspace(InputWorkspace="mod1",OutputWorkspace="bank1")
- for i in range(1,9):
- toadd="mod"+str(i+1)
- Plus(LHSWorkspace="bank1",RHSWorkspace=toadd,OutputWorkspace="bank1")
- Scale(InputWorkspace="bank1",OutputWorkspace="bank1",Factor=0.111111111111111)
- if atten:
- ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
- CloneWorkspace(InputWorkspace="bank1",OutputWorkspace=outwork+"_noatten")
- self.PEARL_atten("bank1","bank1")
- ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="TOF")
-
- SaveGSS(InputWorkspace="bank1",Filename=gssfile,Append=False,Bank=1)
- ConvertUnits(InputWorkspace="bank1",OutputWorkspace="bank1",Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace="bank1",Append=False)
- for i in range(0,9):
- tosave="mod"+str(i+1)
- ConvertUnits(InputWorkspace=tosave,OutputWorkspace=tosave,Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace=tosave,Append=True)
-
- self.PEARL_remove_workspaces()
- mtd.remove("bank1")
-
- elif self.mode=="mods":
- for i in range(0,12):
- output="mod"+str(i+1)
- van="van"+str(i+1)
- rdata="rdata"+str(i+1)
- if i==0:
- SaveGSS(InputWorkspace=output,Filename=gssfile,Append=False,Bank=i+1)
- ConvertUnits(InputWorkspace=output,OutputWorkspace=output,Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace=output,Append=False)
- else:
- SaveGSS(InputWorkspace=output,Filename=gssfile,Append=True,Bank=i+1)
- ConvertUnits(InputWorkspace=output,OutputWorkspace=output,Target="dSpacing")
- SaveNexus(Filename=outfile,InputWorkspace=output,Append=True)
-
- mtd.remove(rdata)
- mtd.remove(van)
- mtd.remove(output)
-
- else:
- print("Sorry I don't know that mode", mode)
- return
-
- LoadNexus(Filename=outfile,OutputWorkspace=outwork)
-
- # temporary nxs file to be deleted on cleanup
- self.saved_outfile = os.path.join(config['defaultsave.directory'],outfile)
- # temporary gss file to be deleted on cleanup
- self.saved_gssfile = os.path.join(config['defaultsave.directory'],gssfile).replace('.gss','-0.gss')
- # name of the reference nxs file which is the same as outfile
- self.reference_nexus = outfile.replace('PRL','PEARL')
- # name of the reference gss file
- self.reference_gss = gssfile.replace('.gss','-0.gss').replace('PRL','PEARL')
- # workspace to be compared with reference_nexus
- self.reference_workspace = outwork
-
- def PEARL_atten(self, work,outwork):
- PearlMCAbsorption(Filename=self.attenfile,OutputWorkspace="wc_atten")
- ConvertToHistogram(InputWorkspace="wc_atten",OutputWorkspace="wc_atten")
- RebinToWorkspace(WorkspaceToRebin="wc_atten",WorkspaceToMatch=work,OutputWorkspace="wc_atten")
- Divide(LHSWorkspace=work,RHSWorkspace="wc_atten",OutputWorkspace=outwork)
- mtd.remove("wc_atten")
- return
-
-#================================================================================
-
-
-class PEARL_Mode_trans(PEARL_Reduction):
- validate=None
-
- def do_focus(self):
- #self.reference_nexus = "PRL75318_75323.nxs"
- return self.PEARL_focus("75318_75323","raw",fmode="trans",ttmode="TT70",atten=True)
-
- def doValidation(self):
- '''Validate an additional workspace'''
- res = PEARL_Reduction.doValidation(self)
- if not res:
- return False
- self.validate = self.validateNoAtten
- return self.validateWorkspaceToNeXus()
-
- def validateNoAtten(self):
- return 'PRL75318_75323_noatten','PEARL75318_75323_noatten.nxs'
-
-#================================================================================
-#pylint: disable=too-few-public-methods
-
-
-class PEARL_Mode_all_Si(PEARL_Reduction):
- def do_focus(self):
- #self.reference_nexus = "PRL74798_74800.nxs"
- return self.PEARL_focus("74798_74800","raw",fmode="all",ttmode="TT70",atten=False)
-
-#================================================================================
-#pylint: disable=too-few-public-methods
-
-
-class PEARL_Mode_all_CeO2(PEARL_Reduction):
- def do_focus(self):
- #self.reference_nexus = "PRL74795_74797.nxs"
- return self.PEARL_focus("74795_74797","raw",fmode="all",ttmode="TT70",atten=False)
-
-#================================================================================
diff --git a/Testing/SystemTests/tests/analysis/ReduceOneSCD_Run.py b/Testing/SystemTests/tests/analysis/ReduceOneSCD_Run.py
index 4139086c4b1bbc2614e1ded77b64de0904aca989..44a3b037cae9c33970ca84ca23baf425c1ceb214 100644
--- a/Testing/SystemTests/tests/analysis/ReduceOneSCD_Run.py
+++ b/Testing/SystemTests/tests/analysis/ReduceOneSCD_Run.py
@@ -13,6 +13,7 @@
#information.
#
#
+from __future__ import (absolute_import, division, print_function)
import time
import stresstesting
@@ -79,7 +80,7 @@ class ReduceOneSCD_Run( stresstesting.MantidStressTest):
full_name = instrument_name + "_" + (run) + "_event.nxs"
- print "\nProcessing File: " + full_name + " ......\n"
+ print("\nProcessing File: " + full_name + " ......\n")
#
# Name the files to write for this run
@@ -104,7 +105,7 @@ class ReduceOneSCD_Run( stresstesting.MantidStressTest):
StartWorkspaceIndex=monitor_index, EndWorkspaceIndex=monitor_index)
monitor_count = integrated_monitor_ws.dataY(0)[0]
- print "\n", run, " has calculated monitor count", monitor_count, "\n"
+ print("\n", run, " has calculated monitor count", monitor_count, "\n")
#
# Make MD workspace using Lorentz correction, to find peaks
@@ -144,13 +145,13 @@ class ReduceOneSCD_Run( stresstesting.MantidStressTest):
# PeakIntegration algorithm.
#
if integrate_predicted_peaks:
- print "PREDICTING peaks to integrate...."
+ print("PREDICTING peaks to integrate....")
peaks_ws = PredictPeaks(InputWorkspace=peaks_ws,
WavelengthMin=min_pred_wl, WavelengthMax=max_pred_wl,
MinDSpacing=min_pred_dspacing, MaxDSpacing=max_pred_dspacing,
ReflectionCondition='Primitive' )
else:
- print "Only integrating FOUND peaks ...."
+ print("Only integrating FOUND peaks ....")
#
# Set the monitor counts for all the peaks that will be integrated
#
@@ -233,8 +234,8 @@ class ReduceOneSCD_Run( stresstesting.MantidStressTest):
self.__reduced_ws_name = str(peaks_ws)
- print '\nReduced run ' + str(run) + ' in ' + str(end_time - start_time) + ' sec'
- print ["output directory=",self.output_directory]
+ print('\nReduced run ' + str(run) + ' in ' + str(end_time - start_time) + ' sec')
+ print(["output directory=",self.output_directory])
def cleanup(self):
if self.saved:
diff --git a/buildconfig/CMake/googletest_static.patch b/buildconfig/CMake/googletest_static.patch
index 883bfade9802d385d7f82cf3baf9c3bdc131eda4..bda83e589d5b173e79c5f1f28e6e2abefc8e6451 100644
--- a/buildconfig/CMake/googletest_static.patch
+++ b/buildconfig/CMake/googletest_static.patch
@@ -1,8 +1,19 @@
+:100644 100644 8d2b552... 0000000... M CMakeLists.txt
:100644 100644 beb259a... 0000000... M googlemock/CMakeLists.txt
:100644 100644 621d0f0... 0000000... M googletest/CMakeLists.txt
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 8d2b552..5c0d122 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -1,5 +1,3 @@
+-cmake_minimum_required(VERSION 2.6.2)
+-
+ project( googletest-distribution )
+
+ enable_testing()
diff --git a/googlemock/CMakeLists.txt b/googlemock/CMakeLists.txt
-index beb259a..d38128a 100644
+index beb259a..6f0cb3b 100644
--- a/googlemock/CMakeLists.txt
+++ b/googlemock/CMakeLists.txt
@@ -7,7 +7,7 @@
@@ -14,7 +25,15 @@ index beb259a..d38128a 100644
option(gmock_build_tests "Build all of Google Mock's own tests." OFF)
-@@ -103,10 +103,10 @@ endif()
+@@ -38,7 +38,6 @@ endif()
+ # ${gmock_BINARY_DIR}.
+ # Language "C" is required for find_package(Threads).
+ project(gmock CXX C)
+-cmake_minimum_required(VERSION 2.6.2)
+
+ if (COMMAND set_up_hermetic_build)
+ set_up_hermetic_build()
+@@ -103,10 +102,10 @@ endif()
########################################################################
#
# Install rules
@@ -30,7 +49,7 @@ index beb259a..d38128a 100644
########################################################################
#
diff --git a/googletest/CMakeLists.txt b/googletest/CMakeLists.txt
-index 621d0f0..6181e5c 100644
+index 621d0f0..c77f9ef 100644
--- a/googletest/CMakeLists.txt
+++ b/googletest/CMakeLists.txt
@@ -7,7 +7,7 @@
@@ -42,7 +61,15 @@ index 621d0f0..6181e5c 100644
# When other libraries are using a shared version of runtime libraries,
# Google Test also has to use one.
-@@ -102,10 +102,10 @@ endif()
+@@ -45,7 +45,6 @@ endif()
+ # ${gtest_BINARY_DIR}.
+ # Language "C" is required for find_package(Threads).
+ project(gtest CXX C)
+-cmake_minimum_required(VERSION 2.6.2)
+
+ if (COMMAND set_up_hermetic_build)
+ set_up_hermetic_build()
+@@ -102,10 +101,10 @@ endif()
########################################################################
#
# Install rules
diff --git a/buildconfig/Jenkins/buildscript b/buildconfig/Jenkins/buildscript
index 8115027e3736563ff42564f460c8fa57b039f734..866868642af04699f728463795cd483e7ad896ed 100755
--- a/buildconfig/Jenkins/buildscript
+++ b/buildconfig/Jenkins/buildscript
@@ -96,6 +96,10 @@ if [[ "$CLEANBUILD" == true ]]; then
fi
if [ -d $BUILD_DIR ]; then
rm -rf $BUILD_DIR/bin $BUILD_DIR/ExternalData
+ if [[ -n ${CLEAN_EXTERNAL_PROJECTS} && "${CLEAN_EXTERNAL_PROJECTS}" == true ]]; then
+ rm -rf $BUILD_DIR/eigen-*
+ rm -rf $BUILD_DIR/googletest-*
+ fi
else
mkdir $BUILD_DIR
fi
diff --git a/buildconfig/dev-packages/rpm/mantid-developer/mantid-developer.spec b/buildconfig/dev-packages/rpm/mantid-developer/mantid-developer.spec
index 0d700621cf8b67ae064bec98c600e468d572d080..13cd55cab57131d4f6e3d2621f9596f1d12540c5 100644
--- a/buildconfig/dev-packages/rpm/mantid-developer/mantid-developer.spec
+++ b/buildconfig/dev-packages/rpm/mantid-developer/mantid-developer.spec
@@ -5,7 +5,7 @@
%endif
Name: mantid-developer
-Version: 1.21
+Version: 1.22
Release: 1%{?dist}
Summary: Meta Package to install dependencies for Mantid Development
@@ -55,7 +55,7 @@ Requires: python-matplotlib
%{?el7:Requires: python-matplotlib-qt4}
Requires: python-pip
Requires: python-sphinx
-Requires: python-sphinx-theme-bootstrap
+Requires: python2-sphinx-bootstrap-theme
Requires: PyYAML
Requires: python2-mock
Requires: qscintilla-devel
@@ -98,7 +98,7 @@ Requires: python3-PyQt4-devel
Requires: python3-numpy
Requires: python3-scipy
Requires: python3-sphinx
-Requires: python3-sphinx-theme-bootstrap
+Requires: python3-sphinx-bootstrap-theme
Requires: python3-dateutil
Requires: python3-h5py
Requires: python3-ipython-gui
@@ -130,6 +130,10 @@ required for Mantid development.
%files
%changelog
+
+* Sat Feb 18 2017 Stuart Campbell <scampbell@bnl.gov>
+- Updated to use upstream sphinx-bootstrap-theme
+
* Mon Jan 09 2017 Lamar Moore <lamar.moore@stfc.ac.uk>
- Require librdkafka-dev
diff --git a/docs/conf.py.in b/docs/conf.py.in
index 233dcc744b362e4f248112a9628b276709ca0fcb..ae4490486cc0efd11d1c2f0f539cb9116e3de110 100644
--- a/docs/conf.py.in
+++ b/docs/conf.py.in
@@ -10,6 +10,7 @@ import sphinx_bootstrap_theme # checked at cmake time
# mantid must be importable
try:
import mantid
+ from mantid import ConfigService
except ImportError:
sys.exit("Cannot import mantid module. Check Python path.")
@@ -74,9 +75,19 @@ pygments_style = 'sphinx'
# -- Options for doctest --------------------------------------------------
+# Store certain config options so they can be restored to initial
+# settings after each test.
+mantid_init_config_keys = ('datasearch.directories', 'defaultsave.directory',
+ 'default.facility', 'default.instrument')
+mantid_config_reset = ["_cfg['{0}'] = '{1}'".format(k, ConfigService.Instance()[k]) for k in mantid_init_config_keys]
+mantid_config_reset = '\n'.join(mantid_config_reset)
+
# Run this before each test is executed
doctest_global_setup = """
from mantid.simpleapi import *
+from mantid.kernel import ConfigService as _cfg
+{0}
+
# doctest.py examines the global scope for future imports
# and uses the sames ones in the executing scope. We don't want the
# Python-3 style behaviour in the docs yet.
@@ -87,7 +98,7 @@ try:
del unicode_literals
except NameError:
pass
-"""
+""".format(mantid_config_reset)
# Run this after each test group has executed
doctest_global_cleanup = """
@@ -157,13 +168,13 @@ html_show_sphinx = False
html_show_copyright = False
# -- Options for Epub output ---------------------------------------------------
-# This flag determines if a toc entry is inserted again at the beginning of its nested toc listing.
-# This allows easier navigation to the top of a chapter, but can be confusing because it mixes entries of different depth in one list.
+# This flag determines if a toc entry is inserted again at the beginning of its nested toc listing.
+# This allows easier navigation to the top of a chapter, but can be confusing because it mixes entries of different depth in one list.
# The default value is True.
epub_tocdup = True
#This setting control the scope of the epub table of contents
-epub_tocscope = 'includehidden'
+epub_tocscope = 'includehidden'
#The author of the document. This is put in the Dublin Core metadata. The default value is 'unknown'.
epub_author = "The Mantid Project"
@@ -171,17 +182,17 @@ epub_author = "The Mantid Project"
#The publisher of the document. This is put in the Dublin Core metadata. You may use any sensible string, e.g. the project homepage.
epub_publisher = "The Mantid Project"
-#An identifier for the document. This is put in the Dublin Core metadata.
-#For published documents this is the ISBN number, but you can also use an alternative scheme, e.g. the project homepage.
+#An identifier for the document. This is put in the Dublin Core metadata.
+#For published documents this is the ISBN number, but you can also use an alternative scheme, e.g. the project homepage.
#The default value is 'unknown'.
epub_identifier = "www.mantidproject.org"
-#The publication scheme for the epub_identifier. This is put in the Dublin Core metadata.
-#For published books the scheme is 'ISBN'. If you use the project homepage, 'URL' seems reasonable.
+#The publication scheme for the epub_identifier. This is put in the Dublin Core metadata.
+#For published books the scheme is 'ISBN'. If you use the project homepage, 'URL' seems reasonable.
#The default value is 'unknown'.
epub_scheme='URL'
-#A unique identifier for the document. This is put in the Dublin Core metadata. You may use a random string.
+#A unique identifier for the document. This is put in the Dublin Core metadata. You may use a random string.
#The default value is 'unknown'.
epub_uid = "Mantid Reference: " + version
@@ -191,3 +202,4 @@ epub_uid = "Mantid Reference: " + version
builder_options_file = "@CMAKE_CURRENT_SOURCE_DIR@/conf-@BUILDER@.py"
if os.path.exists(builder_options_file):
exec(compile(open(builder_options_file).read(), builder_options_file, 'exec'))
+
diff --git a/docs/source/algorithms/AlignComponents-v1.rst b/docs/source/algorithms/AlignComponents-v1.rst
index 020d4e33aa9365e79829b168bc5492b22cc7cb3e..389ebe5352909b6366fca00dbd6b779ae8a87e50 100644
--- a/docs/source/algorithms/AlignComponents-v1.rst
+++ b/docs/source/algorithms/AlignComponents-v1.rst
@@ -58,7 +58,7 @@ components are aligned.
Usage
-----
-**Example - Align the X and Z position of bank26 in POWGEN:**
+**Example - Align the Y and Z position of bank26 in POWGEN:**
.. testcode:: position
@@ -74,19 +74,20 @@ Usage
AlignComponents(CalibrationTable="PG3_cal",
Workspace=ws,
MaskWorkspace="PG3_mask",
- Xposition=True, ZPosition=True,
+ Yposition=True, ZPosition=True,
ComponentList=component)
ws=mtd['ws']
- print "Final position is",ws.getInstrument().getComponentByName(component).getPos()
+ final_pos = ws.getInstrument().getComponentByName(component).getPos()
+ print "Final position is [{:.2f}.{:.2f},{:.2f}]".format(final_pos[0],final_pos[1],final_pos[2])
Output:
.. testoutput:: position
Start position is [1.54436,0.863271,-1.9297]
- Final position is [1.50591,0.863271,-1.92734]
+ Final position is [1.54.0.85,-1.95]
-**Example - Align the Y rotation of bank26 and bank46 in POWGEN:**
+**Example - Align the Y rotation of bank25 and bank46 in POWGEN:**
.. testcode:: rotation
@@ -97,10 +98,10 @@ Output:
MakeMaskWorkspace=True,
WorkspaceName="PG3")
ws = LoadEmptyInstrument(Filename="POWGEN_Definition_2015-08-01.xml")
- components="bank26,bank46"
- bank26Rot = ws.getInstrument().getComponentByName("bank26").getRotation().getEulerAngles()
+ components="bank25,bank46"
+ bank25Rot = ws.getInstrument().getComponentByName("bank25").getRotation().getEulerAngles()
bank46Rot = ws.getInstrument().getComponentByName("bank46").getRotation().getEulerAngles()
- print "Start bank26 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank26Rot[0], bank26Rot[1], bank26Rot[2])
+ print "Start bank25 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank25Rot[0], bank25Rot[1], bank25Rot[2])
print "Start bank46 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank46Rot[0], bank46Rot[1], bank46Rot[2])
AlignComponents(CalibrationTable="PG3_cal",
Workspace=ws,
@@ -109,19 +110,19 @@ Output:
AlphaRotation=True,
ComponentList=components)
ws=mtd['ws']
- bank26Rot = ws.getInstrument().getComponentByName("bank26").getRotation().getEulerAngles()
+ bank25Rot = ws.getInstrument().getComponentByName("bank25").getRotation().getEulerAngles()
bank46Rot = ws.getInstrument().getComponentByName("bank46").getRotation().getEulerAngles()
- print "Final bank26 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank26Rot[0], bank26Rot[1], bank26Rot[2])
- print "Final bank46 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank46Rot[0], bank46Rot[1], bank46Rot[2])
+ print "Final bank25 rotation is [{:.3f}.{:.3f},{:.3f}]".format(bank25Rot[0], bank25Rot[1], bank25Rot[2])
+ print "Final bank46 rotation is [{:.2f}.{:.3f},{:.3f}]".format(bank46Rot[0], bank46Rot[1], bank46Rot[2])
Output:
.. testoutput:: rotation
- Start bank26 rotation is [-24.061.0.120,18.016]
+ Start bank25 rotation is [-24.089.0.179,9.030]
Start bank46 rotation is [-41.092.0.061,17.795]
- Final bank26 rotation is [-25.226.0.120,18.016]
- Final bank46 rotation is [-37.397.0.061,17.795]
+ Final bank25 rotation is [-24.089.0.179,9.030]
+ Final bank46 rotation is [-37.40.0.061,17.795]
**Example - Align sample position in POWGEN:**
@@ -143,14 +144,14 @@ Output:
MaskWorkspace="PG3_mask",
FitSamplePosition=True,
Zposition=True)
- print "Final sample position is {:.5f}".format(mtd['ws'].getInstrument().getSample().getPos().getZ())
+ print "Final sample position is {:.3f}".format(mtd['ws'].getInstrument().getSample().getPos().getZ())
Output:
.. testoutput:: sample
Start sample position is 0.0
- Final sample position is 0.02826
+ Final sample position is 0.028
.. categories::
diff --git a/docs/source/algorithms/ConvertToConstantL2-v1.rst b/docs/source/algorithms/ConvertToConstantL2-v1.rst
index 69fe64bb920025d92bed49e802f5f654147334c2..abfa265e0139366892a0708a1852d43674fbc811 100644
--- a/docs/source/algorithms/ConvertToConstantL2-v1.rst
+++ b/docs/source/algorithms/ConvertToConstantL2-v1.rst
@@ -28,17 +28,18 @@ This algorithm is intended for visualisation only. It is not recommended as part
# Load an IN5 file
ws = Load('ILL/IN5/104007.nxs')
+ monitorIndex = ws.getNumberHistograms() - 1 # Monitor is last in the workspace.
print("Before conversion:")
- print("Monitor {0} distance from origin: {1:.3f}".format(0, ws.getDetector(0).getPos().norm()))
- for i in range(1, 6):
+ print("Monitor {0} distance from origin: {1:.3f}".format(monitorIndex, ws.getDetector(monitorIndex).getPos().norm()))
+ for i in range(0, 5):
print("Detector {0} distance from origin: {1:.3f}".format(i, ws.getDetector(i).getPos().norm()))
# Convert to a detector with constant L2
converted_ws = ConvertToConstantL2(ws)
print("After conversion:")
- print("Monitor {0} distance from origin: {1:.3f}".format(0, converted_ws.getDetector(0).getPos().norm()))
- for i in range(1, 6):
+ print("Monitor {0} distance from origin: {1:.3f}".format(monitorIndex, converted_ws.getDetector(monitorIndex).getPos().norm()))
+ for i in range(0, 5):
print("Detector {0} distance from origin: {1:.3f}".format(i, converted_ws.getDetector(i).getPos().norm()))
Output:
@@ -46,19 +47,19 @@ Output:
.. testoutput:: IN5Example
Before conversion:
- Monitor 0 distance from origin: 0.500
- Detector 1 distance from origin: 4.296
- Detector 2 distance from origin: 4.291
- Detector 3 distance from origin: 4.287
- Detector 4 distance from origin: 4.283
- Detector 5 distance from origin: 4.278
+ Monitor 98304 distance from origin: 0.500
+ Detector 0 distance from origin: 4.296
+ Detector 1 distance from origin: 4.291
+ Detector 2 distance from origin: 4.287
+ Detector 3 distance from origin: 4.283
+ Detector 4 distance from origin: 4.278
After conversion:
- Monitor 0 distance from origin: 0.500
+ Monitor 98304 distance from origin: 0.500
+ Detector 0 distance from origin: 4.000
Detector 1 distance from origin: 4.000
Detector 2 distance from origin: 4.000
Detector 3 distance from origin: 4.000
Detector 4 distance from origin: 4.000
- Detector 5 distance from origin: 4.000
.. categories::
diff --git a/docs/source/algorithms/CorrectTOFAxis-v1.rst b/docs/source/algorithms/CorrectTOFAxis-v1.rst
index 1f67743382dd889950f736459d300b6768633359..d29180bc571d4d9efdb02f3415445c170f5108cc 100644
--- a/docs/source/algorithms/CorrectTOFAxis-v1.rst
+++ b/docs/source/algorithms/CorrectTOFAxis-v1.rst
@@ -20,7 +20,7 @@ If *ReferenceWorkspace* is set, this algorithm copies the X axis as well as the
Calculating new TOF axis
########################
-If no *ReferenceWorkspace* is given, the algorithm takes the L1 distance :math:`l_1` from the instrument attached to *InputWorkspace* and calculates the average L2 distance :math:`l_2` using the histograms specified by *ReferenceSpectra*. The algorithm also needs to know the TOF :math:`t_{elastic}` corresponding to the zero-energy transfer. This is either taken from the first spectrum in *InputWorkspace* as the bin centre of the bin specified by *ElasticBinIndex*, or calculated from the elastic peak positions given in *EPPTable*. *EPPTable* should be in the format returned by the :ref:`algm-FindEPP` algorithm. In this case the algorithm averages the `PeakCentre` column for histograms listed in *ReferenceSpectra*. Finally, the algorithm needs the incident energy :math:`E_i` which can be either specified by *EFixed* or is taken from the sample logs of *InputWorkspace*. In case *EFixed* is specified, the 'Ei' and 'wavelength' sample logs of *OutputWorkspace* are updated accordingly.
+If no *ReferenceWorkspace* is given, the algorithm takes the source-to-sample distance :math:`l_1` from the instrument attached to *InputWorkspace*. The source-to-detector distance :math:`l_2` can either be given directly by the *L2* property, or it is calculated as the mean L2 distance from the histograms specified by *ReferenceSpectra*. The algorithm also needs to know the TOF :math:`t_{elastic}` corresponding to the zero-energy transfer. This is either taken from the first spectrum in *InputWorkspace* as the bin centre of the bin specified by *ElasticBinIndex*, or calculated from the elastic peak positions given in *EPPTable*. *EPPTable* should be in the format returned by the :ref:`algm-FindEPP` algorithm. In this case the algorithm averages the `PeakCentre` column for histograms listed in *ReferenceSpectra*. Finally, the algorithm needs the incident energy :math:`E_i` which can be either specified by *EFixed* or is taken from the sample logs of *InputWorkspace*. In case *EFixed* is specified, the 'Ei' and 'wavelength' sample logs of *OutputWorkspace* are updated accordingly.
The TOF shift :math:`\Delta t` is calculated by
@@ -35,18 +35,80 @@ Whether the *ReferenceSpectra* input property refers to workspace indices, spect
Usage
-----
-**Example - CorrectTOFAxis by specifying the elatic bin**
+**Example - CorrectTOFAxis by specifying the elastic bin and L2**
-.. testcode:: ExElasticBin
+.. textCode:: ExElasticBinWithL2
- import numpy
- from scipy import constants
+ from mantid.kernel import DeltaEModeType, UnitConversion
+
+ L1 = 2.0 # in metres.
+ L2 = 2.0
+ Ei = 55.0 # in meV
+ elasticTOF = UnitConversion.run(src='Energy', dest='TOF',
+ srcValue=Ei,
+ l1=L1, l2=L2,
+ theta=0, emode=DeltaEModeType.Direct, efixed=Ei)
+
+ # Make a workspace with wrong TOF axis.
+ TOFMin = 0.0
+ TOFMax = 100.0
+ binWidth = 0.5
+ # Lets say the elastic bin is in the centre of the spectrum.
+ elasticBinIndex = int(((TOFMax - TOFMin) / binWidth) / 2.0)
+ # Build a Gaussian elastic peak in the workspace.
+ peakCentre = TOFMin + elasticBinIndex * binWidth
+ spectrumDescription = '''name=Gaussian, PeakCentre={0},
+ Height=100, Sigma={1}'''.format(peakCentre, 0.03 * peakCentre)
+ ws = CreateSampleWorkspace(WorkspaceType='Histogram',
+ NumBanks=1,
+ BankPixelWidth=1,
+ Function='User Defined',
+ UserDefinedFunction=spectrumDescription,
+ BankDistanceFromSample=L2,
+ SourceDistanceFromSample=L1,
+ XMin=TOFMin,
+ XMax=TOFMax,
+ BinWidth=binWidth)
+
+ # Do the correction.
+ correctedWs = CorrectTOFAxis(ws,
+ IndexType='Workspace Index',
+ ElasticBinIndex=elasticBinIndex,
+ EFixed=Ei,
+ L2=L2)
+
+ # Convert TOF to energy transfer.
+ convertedWs = ConvertUnits(correctedWs,
+ Target='DeltaE',
+ EMode='Direct')
+
+ # Check results
+ # Zero energy transfer should be around elasticBinIndex.
+ for index in range(elasticBinIndex-1, elasticBinIndex+2):
+ binCentre = (convertedWs.readX(0)[index+1] + convertedWs.readX(0)[index]) / 2
+ print('DeltaE at the centre of bin {0}: {1:0.4f}'.format(index,binCentre))
+
+Output:
+
+.. testoutput:: ExElasticBinWithL2
+
+ DeltaE at the centre of bin 99: -0.0893
+ DeltaE at the centre of bin 100: -0.0000
+ DeltaE at the centre of bin 101: 0.0891
+
+**Example - CorrectTOFAxis by specifying the elastic bin and taking L2 from reference spectra**
+
+.. testcode:: ExElasticBinWithRef
+
+ from mantid.kernel import DeltaEModeType, UnitConversion
L1 = 2.0 # in metres.
L2 = 2.0
Ei = 55.0 # in meV
- v = numpy.sqrt(2 * Ei * 1e-3 * constants.e / constants.m_n)
- elasticTOF = (L1 + L2) / v * 1e6 # in micro seconds.
+ elasticTOF = UnitConversion.run(src='Energy', dest='TOF',
+ srcValue=Ei,
+ l1=L1, l2=L2,
+ theta=0, emode=DeltaEModeType.Direct, efixed=Ei)
# Make a workspace with wrong TOF axis.
TOFMin = 0.0
@@ -85,28 +147,30 @@ Usage
# Zero energy transfer should be around elasticBinIndex.
for index in range(elasticBinIndex-1, elasticBinIndex+2):
binCentre = (convertedWs.readX(0)[index+1] + convertedWs.readX(0)[index]) / 2
- print('DeltaE at bin centre {0}: {1:0.4f}'.format(index,binCentre))
+ print('DeltaE at the centre of bin {0}: {1:0.4f}'.format(index,binCentre))
Output:
-.. testoutput:: ExElasticBin
+.. testoutput:: ExElasticBinWithRef
- DeltaE at bin centre 99: -0.0893
- DeltaE at bin centre 100: -0.0000
- DeltaE at bin centre 101: 0.0891
+ DeltaE at the centre of bin 99: -0.0893
+ DeltaE at the centre of bin 100: -0.0000
+ DeltaE at the centre of bin 101: 0.0891
**Example - CorrectTOFAxis using EPP table**
.. testcode:: ExEPPTable
+ from mantid.kernel import DeltaEModeType, UnitConversion
import numpy
- from scipy import constants
L1 = 2.0 # in metres
L2 = 2.0
Ei = 55.0 # in meV
- velocity = numpy.sqrt(2 * Ei * 1e-3 * constants.e / constants.m_n)
- elasticTOF = (L1 + L2) / velocity * 1e6 # in micro seconds.
+ elasticTOF = UnitConversion.run(src='Energy', dest='TOF',
+ srcValue=Ei,
+ l1=L1, l2=L2,
+ theta=0, emode=DeltaEModeType.Direct, efixed=Ei)
# Make a workspace with wrong TOF axis.
TOFMin = 0.0
@@ -155,14 +219,16 @@ Output:
.. testcode:: ExReferenceWS
+ from mantid.kernel import DeltaEModeType, UnitConversion
import numpy
- from scipy import constants
L1 = 2.0
L2 = 2.0
Ei = 55.0 # in meV
- v = numpy.sqrt(2 * Ei * 1e-3 * constants.e / constants.m_n)
- elasticTOF = (L1 + L2) / v * 1e6 # in micro seconds.
+ elasticTOF = UnitConversion.run(src='Energy', dest='TOF',
+ srcValue=Ei,
+ l1=L1, l2=L2,
+ theta=0, emode=DeltaEModeType.Direct, efixed=Ei)
# Make two workspaces with wrong TOF axis.
TOFMin = 0.0
diff --git a/docs/source/algorithms/DeleteWorkspaces-v1.rst b/docs/source/algorithms/DeleteWorkspaces-v1.rst
new file mode 100644
index 0000000000000000000000000000000000000000..6932e12ae32842e0af38509df245aa82e7c5ecb6
--- /dev/null
+++ b/docs/source/algorithms/DeleteWorkspaces-v1.rst
@@ -0,0 +1,59 @@
+.. algorithm::
+
+.. summary::
+
+.. alias::
+
+.. properties::
+
+Description
+-----------
+
+If workspaces in the WorkspaceList exist then it is removed from Mantid.
+
+Usage
+-----
+
+**Example - Delete using a list of objects**
+
+.. testcode::
+
+ # A small test workspace, with sample_ws as the handle
+ sample_ws = CreateSingleValuedWorkspace(5.0)
+ sample_ws2 = CreateSingleValuedWorkspace(5.0)
+
+ DeleteWorkspaces([sample_ws,sample_ws2])
+
+ print "sample_ws exists in mantid:",("sample_ws" in mtd)
+ print "sample_ws2 exists in mantid:",("sample_ws2" in mtd)
+
+Output:
+
+.. testoutput::
+
+ sample_ws exists in mantid: False
+ sample_ws2 exists in mantid: False
+
+**Example - Delete using a string list**
+
+.. testcode::
+
+ # A small test workspace, with sample_ws as the handle
+ CreateSingleValuedWorkspace(5.0, OutputWorkspace="single_value")
+ CreateSingleValuedWorkspace(5.0, OutputWorkspace="single_value2")
+
+ DeleteWorkspaces("single_value, single_value2")
+
+ print "single_value exists in mantid:",("single_value" in mtd)
+ print "single_value2 exists in mantid:",("single_value2" in mtd)
+
+Output:
+
+.. testoutput::
+
+ single_value exists in mantid: False
+ single_value2 exists in mantid: False
+
+.. categories::
+
+.. sourcelink::
diff --git a/docs/source/algorithms/IndirectILLReductionFWS-v1.rst b/docs/source/algorithms/IndirectILLReductionFWS-v1.rst
index 1ca5430c619cb1d8025a5c6f643185ab2ca1551b..1addb606b0978d6bda5028db4adf23186af2fbf0 100644
--- a/docs/source/algorithms/IndirectILLReductionFWS-v1.rst
+++ b/docs/source/algorithms/IndirectILLReductionFWS-v1.rst
@@ -14,7 +14,9 @@ It uses internally the :ref:`IndirectILLEnergyTransfer <algm-IndirectILLEnergyTr
Input
-----
-Multiple files following the syntax given in `MultiFileLoading <http://www.mantidproject.org/MultiFileLoading>`_.
+
+Multiple files following the syntax given in
+:py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>`.
Output
------
diff --git a/docs/source/algorithms/IndirectILLReductionQENS-v1.rst b/docs/source/algorithms/IndirectILLReductionQENS-v1.rst
index 65d0fde51d52175a35d654db42e34fe44e6517e5..012de9330e37a9a18bd8466ef5abd75d78b9e03e 100644
--- a/docs/source/algorithms/IndirectILLReductionQENS-v1.rst
+++ b/docs/source/algorithms/IndirectILLReductionQENS-v1.rst
@@ -14,12 +14,14 @@ It uses internally the :ref:`IndirectILLEnergyTransfer <algm-IndirectILLEnergyTr
Multiple File Reduction
~~~~~~~~~~~~~~~~~~~~~~~
-The algorithm is capable of running over multiple files.
-Run property needs to be specified following the syntax in `MultiFileLoading <http://www.mantidproject.org/MultiFileLoading>`_.
+
+The algorithm is capable of running over multiple files. Run property
+needs to be specified following the syntax in :py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>`.
When ``SumRuns=True``, all the runs will be merged while loading.
-Note, for **Range** and **Stepped Range**, ``SumRuns`` will be ignored.
-Use **Added Range** and **Added Stepped Range** instead (see `MultiFileLoading <http://www.mantidproject.org/MultiFileLoading>`_).
-For ``BackgroundRun``, ``CalibrationRun`` and ``AlignmentRun`` all the runs will be automatically summed.
+Note, for **Range** and **Stepped Range**, ``SumRuns`` will be
+ignored. Use **Added Range** and **Added Stepped Range** instead (see
+:py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>`). For ``BackgroundRun``, ``CalibrationRun``
+and ``AlignmentRun`` all the runs will be automatically summed.
Unmirror Options
~~~~~~~~~~~~~~~~
diff --git a/docs/source/algorithms/Load-v1.rst b/docs/source/algorithms/Load-v1.rst
index dfbae81ce454464a9b4cbbe8e9c8110630e29181..fea562a196d1eaf13689cc0d6c2c199b04267018 100644
--- a/docs/source/algorithms/Load-v1.rst
+++ b/docs/source/algorithms/Load-v1.rst
@@ -16,6 +16,13 @@ to load the given file. The specific load algorithm is then run as a
child algorithm with the exception that it logs messages to the Mantid
logger.
+Filename Property
+#################
+
+The ``Load`` algorithm changes the default ``Filename`` property to a
+:py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>` and
+follows its syntax.
+
Specific Load Algorithm Properties
##################################
@@ -29,19 +36,19 @@ Load algorithm are redeclared on to that copy of Load.
Loading Nexus files
###################
-When the file to be loaded is a :ref:`Nexus file<Nexus file>`,
+When the file to be loaded is a :ref:`Nexus file<Nexus file>`,
the type nexus file loaded is determined by its group structure.
If the nexus file has a group of type ``NXevent_data``,
then :ref:`algm-LoadEventNexus` will be run.
-Else if the nexus file has a ``/raw_data_1`` path,
-then :ref:`algm-LoadISISNexus` will be run
+Else if the nexus file has a ``/raw_data_1`` path,
+then :ref:`algm-LoadISISNexus` will be run
and it will only load data within the group with this pathname.
Also a nexus file with certain groups present will be
loaded by :ref:`algm-LoadMuonNexus`.
A nexus file with a group of path ``/mantid_workspace_1`` is
loaded by :ref:`algm-LoadNexusProcessed`.
-See the specific load algorithms for more details.
+See the specific load algorithms for more details.
diff --git a/docs/source/algorithms/LoadILLTOF-v1.rst b/docs/source/algorithms/LoadILLTOF-v1.rst
deleted file mode 100644
index 0e66ab94315fb7e42aea0368f7f45295a2eb5288..0000000000000000000000000000000000000000
--- a/docs/source/algorithms/LoadILLTOF-v1.rst
+++ /dev/null
@@ -1,111 +0,0 @@
-.. algorithm::
-
-.. summary::
-
-.. alias::
-
-.. properties::
-
-Description
------------
-
-Loads an ILL TOF NeXus file into a :ref:`Workspace2D <Workspace2D>` with
-the given name.
-
-This loader calculates the elastic peak position (EPP) on the fly. In
-cases where the dispersion peak might be higher than the EPP, it is good
-practice to load a Vanadium file.
-
-The property FilenameVanadium is optional. If it is present the EPP will
-be loaded from the Vanadium data.
-
-To date this algorithm only supports: IN4, IN5 and IN6
-
-Pulse Intervals
----------------
-
-For IN4 and IN6 the algorithm also calculates the pulse interval.
-
-For the number of pulses:
-
-* **IN4:** :math:`n_{pulses} = \frac{v_{fc}}{4 v_{bc}}`
- where :math:`n_{pulses}` is the number of pulses from the chopper per rotation, :math:`v_{fc}` the Fermi chopper speed and :math:`v_{bc}` the background chopper speed. Background chopper 1 and background chopper 2 must have the same speeds. All speeds are in units of rpm.
-
-* **IN6:** :math:`n_{pulses} = \frac{v_{fc}}{v_{sc}}`
- where :math:`n_{pulses}` is the number of pulses from the chopper per rotation, :math:`v_{fc}` the Fermi chopper speed and :math:`v_{sc}` the suppressor chopper speed. All speeds are in units of rpm.
-
-The pulse interval, :math:`T_{pulse}` in seconds, is then given by,
-
-:math:`T_{pulse} = \frac{60 \textrm{s}}{2 v_{fc}} n_{pulses}`.
-
-Usage
------
-
-**Example - Load a regular histogram Nexus file:**
-(see :ref:`algm-LoadILLTOF` for more options)
-
-.. code-block:: python
-
- # Regular data file.
- dataRegular = 'ILLIN6_151460.nxs'
-
- # Load ILL dataset
- ws = Load(dataRegular)
-
- print "This workspace has", ws.getNumDims(), "dimensions and has", ws.getNumberHistograms(), "histograms."
-
-Output:
-
- This workspace has 2 dimensions and has 340 histograms.
-
-
-
-**Example - Load a histogram Nexus file where the dispersion peak is higher than the elastic peak.
-An auxiliary vanadium file is needed to locate the elastic peak.:**
-(see :ref:`algm-LoadILLTOF` for more options)
-
-.. code-block:: python
-
- # Data file where the dispersion peak is higher than the elastic peak.
- dataDispersionPeak = 'ILLIN5_Sample_096003.nxs'
-
- # Vanadium file collected in the same conditions as the dispersion peak dataset.
- vanaDispersionPeak = 'ILLIN5_Vana_095893.nxs'
-
- # Load ILL dispersion peak dataset and a vanadium dataset
- ws = Load(dataDispersionPeak, FilenameVanadium=vanaDispersionPeak)
-
- print "This workspace has", ws.getNumDims(), "dimensions and has", ws.getNumberHistograms(), "histograms."
-
-Output:
-
- This workspace has 2 dimensions and has 98305 histograms.
-
-**Example - Same example as above, but the vanadium file is loaded in advance. The dataset for the dispersion peak is loaded after, using the auxiliary vanadium workspace.:**
-(see :ref:`algm-LoadILLTOF` for more options)
-
-.. code-block:: python
-
- # Data file where the dispersion peak is higher than the elastic peak.
- dataDispersionPeak = 'ILLIN5_Sample_096003.nxs'
-
- # Vanadium file collected in the same conditions as the dispersion peak dataset.
- vanaDispersionPeak = 'ILLIN5_Vana_095893.nxs'
-
- # Load the Vanadium
- wsVana = Load(dataDispersionPeak)
-
- # Load ILL dispersion peak dataset and a vanadium dataset
- wsData = Load(dataDispersionPeak, WorkspaceVanadium=wsVana)
-
- print "The Vanadium workspace has", wsVana.getNumDims(), "dimensions and has", wsVana.getNumberHistograms(), "histograms."
- print "The Data workspace has", wsData.getNumDims(), "dimensions and has", wsData.getNumberHistograms(), "histograms."
-
-Output:
-
- The Vanadium workspace has 2 dimensions and has 98305 histograms.
- The Data workspace has 2 dimensions and has 98305 histograms.
-
-.. categories::
-
-.. sourcelink::
diff --git a/docs/source/algorithms/RawFileInfo-v1.rst b/docs/source/algorithms/RawFileInfo-v1.rst
index c9e2d59a1346035c63a8d51551c13505b1e63d3c..48166101012aa1df5a191f1f4a24db585fe1c643 100644
--- a/docs/source/algorithms/RawFileInfo-v1.rst
+++ b/docs/source/algorithms/RawFileInfo-v1.rst
@@ -13,7 +13,10 @@ Extracts run parameters from the :ref:`RAW <Raw File>` file given as an
input property. If the ``GetRunParameters`` argument is ``True`` then a
`TableWorkspace <http://www.mantidproject.org/TableWorkspace>`__ is created that contains a
column for each value of the ``RPB_STRUCT``, i.e. column names such as ``r_dur``, ``r_goodfrm``
-etc. This is Mantid's version of the ``Get`` routine in `Open Genie <http://www.opengenie.org/>`__.
+etc. If the ``GetSampleParameters`` argument is ``True`` then a
+`TableWorkspace <http://www.mantidproject.org/TableWorkspace>`__ is created that contains a
+column for each value of the ``SPB_STRUCT``, i.e. column names such as ``e_geom``, ``e_width``, etc.
+This is Mantid's version of the ``Get`` routine in `Open Genie <http://www.opengenie.org/>`__.
.. categories::
diff --git a/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst b/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
index c8532e04dea041f0b3ccc3e614bac67639309f92..bd7dd86f593db00252c9e9b24dc32910a44de41b 100644
--- a/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
+++ b/docs/source/algorithms/ReflectometryReductionOneAuto-v2.rst
@@ -21,16 +21,17 @@ detectors of interest. Only the detectors of interest will be corrected, the res
will remain in the original position. Note that when :literal:`ProcessingInstructions` is not set, its value
is inferred from other properties, depending on the value of :literal:`AnalysisMode`:
-* If :literal:`AnalysisMode = PointDetectorAnalaysis` the algorithm will search for :literal:`PointDetectorStart` and :literal:`PointDetectorStep` in the parameter file, and :literal:`ProcessingInstructions` will be set to :literal:`PointDetectorStart:PointDetectorEnd`.
+* If :literal:`AnalysisMode = PointDetectorAnalaysis` the algorithm will search for :literal:`PointDetectorStart` and :literal:`PointDetectorStop` in the parameter file, and :literal:`ProcessingInstructions` will be set to :literal:`PointDetectorStart:PointDetectorEnd`.
* If :literal:`AnalysisMode = MultiDetectorAnalaysis` the algorithm will search for :literal:`MultiDetectorStart` in the parameter file and all of the spectra from this value onwards will be used.
Note that ProcessingInstructions are workspace indices, not detector IDs. The first few workspaces may correspond
to monitors, rather than detectors of interest. For the syntax of this property, see :ref:`algm-GroupDetectors`.
Once the algorithm determines the detectors of interest it corrects their positions according to :literal:`ThetaIn`,
-if given, for which it runs :ref:`algm-SpecularReflectionPositionCorrect`. If :literal:`ThetaIn` is not set, detectors
-will not be corrected. However, it is recommended to use this option to ensure that :ref:`algm-ReflectometryReductionOne`
-is able to convert from wavelength to momentum transfer properly.
+if given, for which it runs :ref:`algm-SpecularReflectionPositionCorrect`. The detectors are moved either by shifting them
+vertically, or by rotating them around the sample position, as specified by :literal:`DetectorCorrectionType`.
+If :literal:`ThetaIn` is not set, detectors will not be corrected. However, it is recommended to use this option to
+ensure that :ref:`algm-ReflectometryReductionOne` is able to convert from wavelength to momentum transfer properly.
Next, the algorithm will try to populate input properties which have not been set. Specifically, it will search for
:literal:`LambdaMin`, :literal:`LambdaMax`, :literal:`I0MonitorIndex`, :literal:`MonitorBackgroundMin`, :literal:`MonitorBackgroundMax`,
@@ -186,7 +187,7 @@ Output:
.. testcode:: ExReflRedOneAutoOverload
run = Load(Filename='INTER00013460.nxs')
- IvsQ, IvsQ_unbinned, IvsLam = ReflectometryReductionOneAuto(InputWorkspace=run, ThetaIn=0.7, MonitorBackgroundWavelengthMin=0.0, MonitorBackgroundWavelengthMax=1.0)
+ IvsQ, IvsQ_unbinned, IvsLam = ReflectometryReductionOneAuto(InputWorkspace=run, ThetaIn=0.7, DetectorCorrectionType="RotateAroundSample", MonitorBackgroundWavelengthMin=0.0, MonitorBackgroundWavelengthMax=1.0)
print "%.5f" % (IvsLam.readY(0)[175])
print "%.5f" % (IvsLam.readY(0)[176])
@@ -201,10 +202,10 @@ Output:
0.00441
0.00462
- 0.64231
- 0.41456
+ 0.64241
+ 0.41453
0.51028
- 0.52242
+ 0.52241
.. categories::
diff --git a/docs/source/algorithms/SelectNexusFilesByMetadata-v1.rst b/docs/source/algorithms/SelectNexusFilesByMetadata-v1.rst
index c5c2be8732290232efa2cbf3b14334bb1a5359dc..d3a1972300bd090ad69f3acf32a07cd42ffb9bf5 100644
--- a/docs/source/algorithms/SelectNexusFilesByMetadata-v1.rst
+++ b/docs/source/algorithms/SelectNexusFilesByMetadata-v1.rst
@@ -11,7 +11,8 @@ Description
This algorithm returns the nexus (HDF) files in the given files list that satisfy the specified criteria.
This is done without actually loading the data, but just the needed metadata.
-Input files need to exist and be specified following the Mantid rules in `MultiFileLoading <http://www.mantidproject.org/MultiFileLoading>`_.
+Input files need to exist and be specified following the Mantid rules in
+:py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>`.
Criteria could be any python logical expression involving the nexus entry names enclosed with ``$`` symbol.
Arbitrary number of criteria can be combined. The metadata entry should contain only one element.
Note, that if the entry is of string type, string comparison will be performed.
diff --git a/docs/source/algorithms/SpecularReflectionPositionCorrect-v2.rst b/docs/source/algorithms/SpecularReflectionPositionCorrect-v2.rst
index be5f1de144aab80247790520bc0b83740b98848d..7e4715f9c444a0719af7b121a619fc5c742cf264 100644
--- a/docs/source/algorithms/SpecularReflectionPositionCorrect-v2.rst
+++ b/docs/source/algorithms/SpecularReflectionPositionCorrect-v2.rst
@@ -9,9 +9,10 @@
Description
-----------
-Moves the specified detector component vertically so that the angle between the beam and
+Moves the specified detector component so that the angle between the beam and
the sample-to-detector vector is :literal:`TwoTheta`. The detector component is moved as a
-block. The rest of the instrument components remain in the original position.
+block. The rest of the instrument components remain in the original position. The component
+can be shifted vertically (default), or rotated around the sample position.
Previous Versions
-----------------
@@ -27,64 +28,87 @@ Usage
.. testcode:: SpecularReflectionPositionCorrectPointDetector
+ print 'point-detector'
polref = Load(Filename=r'POLREF00004699.raw', PeriodList=1)
polref = polref[0]
instr = polref.getInstrument()
- print instr.getComponentByName('point-detector').getPos()
+ print 'Original position: ' + str(instr.getComponentByName('point-detector').getPos())
- polref = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='point-detector')
- instr = polref.getInstrument()
- print instr.getComponentByName('point-detector').getPos()
+ polref_vert = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='point-detector', DetectorCorrectionType='VerticalShift')
+ instr = polref_vert.getInstrument()
+ print 'Vertical shift: ' + str(instr.getComponentByName('point-detector').getPos())
+
+ polref_rot = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='point-detector', DetectorCorrectionType='RotateAroundSample')
+ instr = polref_rot.getInstrument()
+ print 'Rotated: ' + str(instr.getComponentByName('point-detector').getPos())
Output:
+Note that in this case the difference between shifting the detectors vertically or rotating them is negligible.
+
.. testoutput:: SpecularReflectionPositionCorrectPointDetector
-
- [25.6,0,0.0444961]
- [25.6,0,0.0444753]
+
+ point-detector
+ Original position: [25.6,0,0.0444961]
+ Vertical shift: [25.6,0,0.0444753]
+ Rotated: [25.6,0,0.0444753]
**Example - Correct 'lineardetector'**
.. testcode:: SpecularReflectionPositionCorrectLinearDetector
+ print 'lineardetector'
polref = Load(Filename=r'POLREF00004699.raw', PeriodList=1)
polref = polref[0]
instr = polref.getInstrument()
- print instr.getComponentByName('lineardetector').getPos()
+ print 'Original position: ' + str(instr.getComponentByName('lineardetector').getPos())
- polref = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='lineardetector')
- instr = polref.getInstrument()
- print instr.getComponentByName('lineardetector').getPos()
+ polref_vert = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='lineardetector')
+ instr = polref_vert.getInstrument()
+ print 'Vertical shift: ' + str(instr.getComponentByName('lineardetector').getPos())
+
+ polref_rot = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='lineardetector', DetectorCorrectionType='RotateAroundSample')
+ instr = polref_rot.getInstrument()
+ print 'Rotated: ' + str(instr.getComponentByName('lineardetector').getPos())
Output:
.. testoutput:: SpecularReflectionPositionCorrectLinearDetector
-
- [26,0,0]
- [26,0,0.0513177]
+
+ lineardetector
+ Original position: [26,0,0]
+ Vertical shift: [26,0,0.0513177]
+ Rotated: [25.9996,0,0.0513102]
**Example - Correct 'OSMOND'**
.. testcode:: SpecularReflectionPositionCorrectOSMONDDetector
+ print 'OSMOND'
polref = Load(Filename=r'POLREF00004699.raw', PeriodList=1)
polref = polref[0]
instr = polref.getInstrument()
- print instr.getComponentByName('OSMOND').getPos()
+ print 'Original position: ' + str(instr.getComponentByName('OSMOND').getPos())
- polref = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='OSMOND')
- instr = polref.getInstrument()
- print instr.getComponentByName('OSMOND').getPos()
+ polref_vert = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='OSMOND')
+ instr = polref_vert.getInstrument()
+ print 'Vertical shift: ' + str(instr.getComponentByName('OSMOND').getPos())
+
+ polref_rot = SpecularReflectionPositionCorrect(polref, TwoTheta = 2*0.49, DetectorComponentName='OSMOND', DetectorCorrectionType='RotateAroundSample')
+ instr = polref_rot.getInstrument()
+ print 'Rotated: ' + str(instr.getComponentByName('OSMOND').getPos())
Output:
.. testoutput:: SpecularReflectionPositionCorrectOSMONDDetector
-
- [26,0,0]
- [26,0,0.0513177]
+
+ OSMOND
+ Original position: [26,0,0]
+ Vertical shift: [26,0,0.0513177]
+ Rotated: [25.9996,0,0.0513102]
.. categories::
diff --git a/docs/source/api/python/mantid/api/MultipleFileProperty.rst b/docs/source/api/python/mantid/api/MultipleFileProperty.rst
index 269864deaecb9893e4eff56cec4e277d21a1e239..2dfea95c93092c09e50b88b346feb93cdd10436d 100644
--- a/docs/source/api/python/mantid/api/MultipleFileProperty.rst
+++ b/docs/source/api/python/mantid/api/MultipleFileProperty.rst
@@ -2,14 +2,131 @@
MultipleFileProperty
======================
-This a python binding to the C++ class Mantid::API::MultipleFileProperty.
+This a python binding to the C++ class
+``Mantid::API::MultipleFileProperty``.
+
+.. contents::
+ :local:
+
+Multiple file loading allows users to specify lists / ranges of files
+to load (and optionally sum together) into Mantid.
+
+This functionality is offered via the ``Filename`` property of
+:ref:`algm-Load`, and so is available by calling the algorithm or by
+using the LoadDialog window in the usual way.
+
+Syntax
+======
+
+Basic
+-----
+
+The syntax for multi file loading involves the use of several
+context-sensitive operators. Here is a run-down of those operators
+with some simple examples:
+
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+| Name | Usage | Description | Example Input | Example Result |
++====================+=============================+============================================================================================+===================+======================================+
+| List | ``<run>,<run>`` | Used to list runs | ``INST1,2,3.ext`` | Load and sum runs 1, 2 and 3 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+| Plus | ``<run>+<run>`` | Used to specify which runs that are to be loaded and then summed together | ``INST1+2+3.ext`` | Load and sum runs 1, 2 and 3 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+| Range | ``<run>:<run>`` | Used to specify a range of runs to load | ``INST1:4.ext`` | Load runs 1, 2, 3 and 4 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+| Stepped Range | ``<run>:<run>:<step_size>`` | Used to specify a ''stepped'' range of runs to load | ``INST1:5:2.ext`` | Load runs 1, 3 and 5 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+| Added Range | ``<run>-<run>`` | Used to specify a range of runs that are to be loaded and then summed together | ``INST1-4.ext`` | Load and then sum runs 1, 2, 3 and 4 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+|Stepped Added Range | ``<run>-<run>:<step_size>`` | Used to specify a ''stepped'' range of runs that are to be loaded and then summed together | ``INST1-5:2.ext`` | Load and then sum runs 1, 3 and 5 |
++--------------------+-----------------------------+--------------------------------------------------------------------------------------------+-------------------+--------------------------------------+
+
+Optional Info
+-------------
+
+Some information relating to the files can be left out, and the
+algorithm will attempt to fill in the details:
+
+* **Directory** - Note that in the examples table above, the directory
+ of the files have not been provided. In cases such as this,
+ standard Mantid behaviour is observed and the files will be loaded
+ as long as they exist in the folders specified in your `user
+ directories <https://www.mantidproject.org/ManageUserDirectories>`_
+ list.
+* **Instrument** - If the instrument is not specified then runs from
+ your chosen default instrument will be loaded.
+* **File Extension** - If the file extension is not specified, then
+ Mantid will look for runs amongst the files with the standard
+ extensions (``.raw``, ``.nxs``, etc). **Note:** Since Load does not
+ currently support multiple loaders at the same time (see
+ :ref:`MultipleFileProperty_Limitations`) if you specify multiple runs without an extension,
+ then Mantid will use the first resolved extension for the remaining
+ files. If some files have a specified extension but others dont,
+ then the first extension that has been specified will be used for
+ all files without a given extension.
+* **Zero Padding** - There is some leeway regarding the number of
+ zeroes expected in the run numbers for each instrument. If you are
+ trying to load the file ``INST000001.ext``, then ``INST1.ext`` is an
+ acceptable input.
+
+Advanced
+--------
+
+The basic syntax outlined above can be combined in a variety of ways:
+
+.. code:: python
+
+ # Loads the Raw files 1, 2, 3, and 4 for TOSCA, but sums together runs 3 and 4.
+ Load(Filename='TSC1,2,3+4.raw', OutputWorkspace='Files')
+
+ # Loads the Raw files 1, 2 and 3 for TOSCA and 4, 5 and 6 for IRIS.
+ # The IRIS runs are added together.
+ Load(Filename='TSC1:3.raw,IRS4-6.raw', OutputWorkspace='Files')
+
+ # For TOSCA, adds together run 1 (found in c:/files/) and run 2 (found in c:/store/).
+ Load(Filename='c:/files/TSC1.raw+c:/store/TSC2.raw', OutputWorkspace='Files')
+
+
+Load Dialog
+===========
+
+When you load a range of files from the Load Dialog and then reopen
+the dialog, the files that were loaded previously will now appear in a
+comma and plus separated list of fully resolved filenames.
+
+.. _MultipleFileProperty_Limitations:
+
+Limitations
+===========
+
+* Currently, Load can only handle multiple files using a single loader
+ at a time. For example, loading a NeXuS file and a Raw file at the
+ same time is not possible.
+* It is not possible to plus together Ranges, or Stepped Ranges.
+ (Added Ranges and Stepped Added Ranges may be plussed however.)
+* Files that are loaded along with other files will end up with the
+ same algorithm history. Generating a Python script for any of the
+ workspaces, and then rerunning it will result in *all* the
+ workspaces being loaded.
+* The syntax for the different kind of ranges can only be used between
+ run numbers, and **not** between fully or partially resolved files.
+ For example, ``TSC1.raw-TSC3.raw`` is not allowed; use
+ ``TSC1-3.raw`` instead.
+* For the ILL data, since the file names (numors) do not contain
+ instrument prefixes, multiple file loading will work only if the
+ default facility and instrument are set correspondingly from the
+ `first time setup page
+ <http://www.mantidproject.org/MBC_Getting_set_up#MantidPlot_First-Time_Setup>`_.
+
+
+Detailed API Documentation
+==========================
*bases:* :py:obj:`mantid.api.VectorVectorStringPropertyWithValue`
.. module:`mantid.api`
-.. autoclass:: mantid.api.MultipleFileProperty
+.. autoclass:: mantid.api.MultipleFileProperty
:members:
:undoc-members:
:inherited-members:
-
diff --git a/docs/source/concepts/minimizers_comparison/color_definitions.js b/docs/source/concepts/minimizers_comparison/color_definitions.js
deleted file mode 100644
index 50f7cb2d8085c509830103e2fdffda9db0f6f4a7..0000000000000000000000000000000000000000
--- a/docs/source/concepts/minimizers_comparison/color_definitions.js
+++ /dev/null
@@ -1,8 +0,0 @@
-
-$(document).ready(function() {
- $('.ranking-top-1').parent().addClass('ranking-top-1-parent');
- $('.ranking-top-2').parent().addClass('ranking-top-2-parent');
- $('.ranking-med-3').parent().addClass('ranking-med-3-parent');
- $('.ranking-low-4').parent().addClass('ranking-low-4-parent');
- $('.ranking-low-5').parent().addClass('ranking-low-5-parent');
-});
diff --git a/docs/source/fitfunctions/ElasticIsoRotDiff.rst b/docs/source/fitfunctions/ElasticIsoRotDiff.rst
index d9d99cd6ca84a3e02a9b713bca5c748b3e699927..640c7322b3f69adfa616a7c6cdaf674815b3e8d2 100644
--- a/docs/source/fitfunctions/ElasticIsoRotDiff.rst
+++ b/docs/source/fitfunctions/ElasticIsoRotDiff.rst
@@ -56,11 +56,7 @@ following model:
.. testcode:: ExampleElasticIsoRotDiff
import numpy as np
- import scipy
- if int(scipy.__version__.split('.')[1]) < 18:
- from scipy.special import sph_jn as jn
- else:
- from scipy.special import spherical_jn as jn
+ from scipy.special import sph_jn
"""Generate resolution function with the following properties:
1. Normal distribution along the energy axis, same for all Q-values
2. FWHM = 0.005 meV
@@ -94,7 +90,7 @@ following model:
noise = dataY*np.random.random(nE)*0.1 # noise is up to 10% of the elastic signal
background = np.random.random()+np.random.random()*dataX # linear background
background = (0.01*H*max(dataY)) * (background/max(np.abs(background))) # up to 1% of H
- j0 = jn(0,Q*R)[0][0]
+ j0 = sph_jn(0,Q*R)[0][0]
qdataY=np.append(qdataY, H*j0**2*(dataY+noise) + background)
# Create data workspace
data=CreateWorkspace(np.tile(dataX,nQ), qdataY, NSpec=nQ, UnitX="deltaE",
diff --git a/docs/source/fitfunctions/EndErfc.rst b/docs/source/fitfunctions/EndErfc.rst
index bf15a5316466b7ece0e768ee07a4ddd831decff0..9baefc701a522548679663a2d0742bb0c655d730 100644
--- a/docs/source/fitfunctions/EndErfc.rst
+++ b/docs/source/fitfunctions/EndErfc.rst
@@ -9,9 +9,12 @@ EndErfc
Description
-----------
-This is a fitting function for the complementary error function.
+This is a fitting function that makes use of the complementary error function for detector-tube calibration
-The function is A*erfc((B-x)/C) + D for positive A and the same minus 2A for negative A.
+The function :math:`f(x)=A \cdot erfc(\frac{B-x}{C}) + D` with the following constraints:
+
+- :math:`D \geq 0`
+- :math:`f(x) = -2A` if :math:`A<0`
.. attributes::
diff --git a/docs/source/fitfunctions/IkedaCarpenterPV.rst b/docs/source/fitfunctions/IkedaCarpenterPV.rst
index 80a20d52b7ac45b2136df9bf3bcd6f690b910b92..41085e6b1ed6a124cca4cf9cb771f91036dce5bd 100644
--- a/docs/source/fitfunctions/IkedaCarpenterPV.rst
+++ b/docs/source/fitfunctions/IkedaCarpenterPV.rst
@@ -37,7 +37,7 @@ Kappa and these are defined as
fitting a single peak it is not recommended to refine both Alpha0 and
Alpha1 at the same time since these two parameters will effectively be
100% correlated because the wavelength over a single peak is likely
-effectively constant*.
+effectively constant*. All parameters are constrained to be non-negative.
The pseudo-Voigt function is defined as a linear combination of a
Lorentzian and Gaussian and is a computational efficient way of
diff --git a/docs/source/fitfunctions/InelasticIsoRotDiff.rst b/docs/source/fitfunctions/InelasticIsoRotDiff.rst
index fcb7af9238d4dae2581e00611e18dd07bf56510c..ee4fafafb0dd81f7c13032b53b58ea2ffcad5d00 100644
--- a/docs/source/fitfunctions/InelasticIsoRotDiff.rst
+++ b/docs/source/fitfunctions/InelasticIsoRotDiff.rst
@@ -60,11 +60,7 @@ and the overal intensity of the signal with a fit to the following model:
.. testcode:: ExampleInelasticIsoRotDiff
import numpy as np
- import scipy
- if int(scipy.__version__.split('.')[1]) < 18:
- from scipy.special import sph_jn as jn
- else:
- from scipy.special import spherical_jn as jn
+ from scipy.special import sph_jn
"""Generate resolution function with the following properties:
1. Gaussian in Energy
2. Dynamic range = [-0.1, 0.1] meV with spacing 0.0004 meV
@@ -91,7 +87,7 @@ and the overal intensity of the signal with a fit to the following model:
for Q in Qs:
centre=dE*np.random.random() # some shift along the energy axis
dataY=np.zeros(nE) # holds the inelastic signal for this Q-value
- js=jn(N,Q*R)[0] # spherical bessel functions from L=0 to L=N
+ js=sph_jn(N,Q*R)[0] # spherical bessel functions from L=0 to L=N
for L in range(1,N+1):
HWHM = L*(L+1)*hbar/tau; aL=(2*L+1)*js[L]**2
dataY += H*aL/np.pi * HWHM/(HWHM**2+(dataX-centre)**2) # add component
diff --git a/docs/source/fitfunctions/IsoRotDiff.rst b/docs/source/fitfunctions/IsoRotDiff.rst
index 38a4712baf1ae1fc0af5951d72bf1719a068ed51..fe35010709c09fb402b481f24cae7b845f37b7d8 100644
--- a/docs/source/fitfunctions/IsoRotDiff.rst
+++ b/docs/source/fitfunctions/IsoRotDiff.rst
@@ -59,11 +59,7 @@ and the overal intensity of the signal with a fit to the following model:
.. testcode:: ExampleIsoRotDiff
import numpy as np
- import scipy
- if int(scipy.__version__.split('.')[1]) < 18:
- from scipy.special import sph_jn as jn
- else:
- from scipy.special import spherical_jn as jn
+ from scipy.special import sph_jn
"""Generate resolution function with the following properties:
1. Gaussian in Energy
2. Dynamic range = [-0.1, 0.1] meV with spacing 0.0004 meV
@@ -94,7 +90,7 @@ and the overal intensity of the signal with a fit to the following model:
for Q in Qs:
centre=0 # some shift along the energy axis
dataY=np.zeros(nE)
- js=jn(N,Q*R)[0] # spherical bessel functions from L=0 to L=N
+ js=sph_jn(N,Q*R)[0] # spherical bessel functions from L=0 to L=N
for L in range(1,N+1):
HWHM = L*(L+1)*hbar/tau
aL = (2*L+1)*js[L]**2
diff --git a/docs/source/images/ISISReflectometryPolref_settings_tab.png b/docs/source/images/ISISReflectometryPolref_settings_tab.png
index 5a1e49e2ca53962259f6303065728bd583662a0f..4b39534c367277c07769f14c1773c9bdc692fe19 100644
Binary files a/docs/source/images/ISISReflectometryPolref_settings_tab.png and b/docs/source/images/ISISReflectometryPolref_settings_tab.png differ
diff --git a/docs/source/images/Progress_running.png b/docs/source/images/Progress_running.png
new file mode 100644
index 0000000000000000000000000000000000000000..8d60e3c0838aafedc23fee8342f26f954676e865
Binary files /dev/null and b/docs/source/images/Progress_running.png differ
diff --git a/docs/source/interfaces/CrystalFieldPythonInterface.rst b/docs/source/interfaces/CrystalFieldPythonInterface.rst
index ac48f0dc4bb8b932e6ad0fbf83140f8c58dee00a..fe259e34405b4dbaf165199500e249eba6fc4d58 100644
--- a/docs/source/interfaces/CrystalFieldPythonInterface.rst
+++ b/docs/source/interfaces/CrystalFieldPythonInterface.rst
@@ -21,6 +21,14 @@ of the field. The rest of the parameters are optional.
Possible values for the `Ion` argument::
Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb
+
+These are the trivalent rare-earth ions. For other rare earth ions, use the equivalent trivalent ion based on
+the number of *f*-electrons in the outer shell (e.g. for Pr\ :sup:`4+` (4\ *f*\ :sup:`1`) use `Ce`).
+The rare earth ions sets the correct value of the Lande g-factor. In addition, a pure spin ion with arbitrary
+(but half-integral) *S* (or *J*) values are also supported using the syntax: `Ion=S<n>` where `<n>` is an integer
+or half-integer value, e.g. `Ion=S2` or `Ion=S1.5`. In these cases, the g-factor is set to *g*\ :sub:`J` = 2.
+The prefix letter can also be `J` instead of `S`, and lower case letters are also supported. (e.g. `Ion=j1`,
+`Ion=s2.5` and `Ion=J0.5` are all valid).
Allowed values for `Symmetry`::
diff --git a/docs/source/interfaces/Indirect_DataReduction.rst b/docs/source/interfaces/Indirect_DataReduction.rst
index 651510cfbfcaae9817259805a31aa3870e660013..ff83f920f83a9af832bbc4cb17cb81eb0983c10d 100644
--- a/docs/source/interfaces/Indirect_DataReduction.rst
+++ b/docs/source/interfaces/Indirect_DataReduction.rst
@@ -198,8 +198,7 @@ Common Options
~~~~~~~~~~~~~~
Input File
- Used to select the raw data in ``.nxs`` format. Note that multiple files can be specified following
- `MultiFileLoading <http://www.mantidproject.org/MultiFileLoading>`_ instructions.
+ Used to select the raw data in ``.nxs`` format. Note that multiple files can be specified following :py:obj:`MultipleFileProperty <mantid.api.MultipleFileProperty>` instructions.
Detector Grouping
Used to switch between grouping as per the IDF (*Default*) or grouping using a
diff --git a/docs/source/release/index.rst b/docs/source/release/index.rst
index 2c9ad294e3b3777d7c0c3e433d4d6bbe54785cbb..ebadddc35dac2e5816f572e63f72bbeb9368a16e 100644
--- a/docs/source/release/index.rst
+++ b/docs/source/release/index.rst
@@ -7,6 +7,7 @@ Release Notes
:titlesonly:
v3.10.0 <v3.10.0/index>
+ v3.9.1 <v3.9.1/index>
v3.9.0 <v3.9.0/index>
v3.8.0 <v3.8.0/index>
v3.7.1 <v3.7.1/index>
diff --git a/docs/source/release/v3.10.0/diffraction.rst b/docs/source/release/v3.10.0/diffraction.rst
index a17806c663e50f6fe1c1803a2f1b25eaa3920221..e2b0248b876b4e5fc953212294a997cb08fe5396 100644
--- a/docs/source/release/v3.10.0/diffraction.rst
+++ b/docs/source/release/v3.10.0/diffraction.rst
@@ -7,11 +7,16 @@ Diffraction Changes
Crystal Improvements
--------------------
+- :ref:`StartLiveData <algm-StartLiveData>` will load "live"
+ data streaming from MaNDi data server.
Engineering Diffraction
-----------------------
-|
+Single Crystal Diffraction
+--------------------------
+
+- A new HB3A instrument definition file, for its 512 x 512 detector
Full list of `diffraction <https://github.com/mantidproject/mantid/issues?q=is%3Aclosed+milestone%3A%22Release+3.10%22+label%3A%22Component%3A+Diffraction%22>`_
and
diff --git a/docs/source/release/v3.10.0/direct_inelastic.rst b/docs/source/release/v3.10.0/direct_inelastic.rst
index c666d20324e46ae7d2c8e12af64348519faf895f..615f202ab101d03543b3b1298f8f64f8beb80668 100644
--- a/docs/source/release/v3.10.0/direct_inelastic.rst
+++ b/docs/source/release/v3.10.0/direct_inelastic.rst
@@ -5,4 +5,24 @@ Direct Inelastic Changes
.. contents:: Table of Contents
:local:
+Algorithms
+----------
+
+Improved
+########
+
+- :ref:`LoadILLTof <algm-LoadILLTOF-v2>` now loads the monitor spectra last making the spectrum numbers and detectors IDs match.
+- In :ref:`CorrectTOFAxis <algm-CorrectTOFAxis>`, the sample to detector distance can now be directly given using the new *L2* property.
+
+Deprecated
+##########
+
+- The already deprecated version 1 of LoadILLTOF has been removed completely. Use :ref:`LoadILLTOF version 2 <algm-LoadILLTOF-v2>` instead.
+
+Crystal Field
+-------------
+
+- Now accepts arbitrary `J` (or `S` - angular momentum quantum number, determining the basis states)
+ values with the syntax: `Ion=S<n>` or `Ion=J<n>` where `<n>` is an integer or half integer.
+
`Full list of changes on GitHub <https://github.com/mantidproject/mantid/issues?q=is%3Aclosed+milestone%3A%22Release+3.10%22+label%3A%22Component%3A+Direct+Inelastic%22>`_
diff --git a/docs/source/release/v3.10.0/framework.rst b/docs/source/release/v3.10.0/framework.rst
index d21aff7887b6a7bce3104735ee3971b06f63be2f..d97a742188ce5b093f9051d3943d55636e1691db 100644
--- a/docs/source/release/v3.10.0/framework.rst
+++ b/docs/source/release/v3.10.0/framework.rst
@@ -11,10 +11,18 @@ Algorithms
New
###
+- :ref:`DeleteWorkspaces <algm-DeleteWorkspaces>` will delete a list of workspaces.
Improved
########
+- :ref`RawFileInfo <algm-RawFileInfo-v1>` now provides sample information.
+
+Bug Fixes
+#########
+
+- Fixed two issues with absolute rotations that affected :ref:`RotateInstrumentComponent <algm-RotateInstrumentComponent>`. Previously, setting the absolute rotation of a component to ``R`` would result in its rotation being ``parent-rotation * R * inverse(relative-parent-rotation)``.
+- :ref:`MonteCarloAbsorption <algm-MonteCarloAbsorption>` has been modified to allow `EventWorkspace` as input
Deprecated
##########
@@ -25,14 +33,18 @@ MD Algorithms (VATES CLI)
Performance
-----------
-CurveFitting
-------------
+Bugs
+----
+
+- We have fixed a bug where Mantid could crash when deleteing a large number of workspaces.
Improved
########
- :ref:`UserFunction <func-UserFunction>` now supports :math:`erf` and :math:`erfc`.
+- :ref:`IkedaCarpenterPV <func-IkedaCarpenterPV>` now constrains all parameters to be non-negative which helps the fits converge faster and produces better fits.
+
Python
------
@@ -54,6 +66,7 @@ Python
3.0
3.0
+- Exposed more `SpectrumInfo` functionality to Python.
Python Algorithms
diff --git a/docs/source/release/v3.10.0/indirect_inelastic.rst b/docs/source/release/v3.10.0/indirect_inelastic.rst
index a1733c6061c57e67bf7d35bde1ddc802ade4b627..9787d3901931282af76d97790f21901562094561 100644
--- a/docs/source/release/v3.10.0/indirect_inelastic.rst
+++ b/docs/source/release/v3.10.0/indirect_inelastic.rst
@@ -12,6 +12,7 @@ Algorithms
##########
- A new input property *RebinCanToSample* was added to :ref:`ApplyPaalmanPingsCorrection <algm-ApplyPaalmanPingsCorrection>` which enables or disables the rebinning of the empty container workspace.
+- :ref:`LoadVesuvio <algm-LoadVesuvio> can now load NeXus files as well as raw files
Data Analysis
#############
@@ -32,5 +33,6 @@ Bugfixes
--------
- The *Diffraction* Interface no longer crashes when in OSIRIS diffonly mode
+- *Abins*: fix setting very small off-diagonal elements of b tensors
`Full list of changes on GitHub <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.10%22+is%3Amerged+label%3A%22Component%3A+Indirect+Inelastic%22>`_
diff --git a/docs/source/release/v3.10.0/reflectometry.rst b/docs/source/release/v3.10.0/reflectometry.rst
index 4e63c2008936db5985224475aeced76fa56b2b38..18476696b4241db2cd4c337ea7723e6b3c9be6d7 100644
--- a/docs/source/release/v3.10.0/reflectometry.rst
+++ b/docs/source/release/v3.10.0/reflectometry.rst
@@ -5,6 +5,13 @@ Reflectometry Changes
.. contents:: Table of Contents
:local:
+Algorithms
+----------
+
+* :ref:`algm-SpecularReflectionPositionCorrect2 <algm-SpecularReflectionPositionCorrect2> - fixed a bug where entering
+ an invalid detector or sample name would cause a segmentation fault.
+* The :ref:`algm-SpecularReflectionPositionCorrect` algorithm has a new property, ``DetectorCorrectionType``, which specifies whether detector positions should be corrected by a vertical shift (default) or by a rotation around the sample position.
+
ConvertToReflectometryQ
-----------------------
diff --git a/docs/source/release/v3.10.0/sans.rst b/docs/source/release/v3.10.0/sans.rst
index e7c21f51ea58d9e634361e06df6672c44ca08614..49c72344473d9d3baa6702702501ddfa2ef30d2d 100644
--- a/docs/source/release/v3.10.0/sans.rst
+++ b/docs/source/release/v3.10.0/sans.rst
@@ -8,7 +8,9 @@ SANS Changes
Bug Fixes
---------
- Fixed wrong first spectrum number for LARMOR. The first non-monitor spectrum number is 11, but it had been set to 10.
-
-|
+- Fixed inconsistent detector selection for high-angle-bank-type detectors.
+- Fixed LOQ Batch mode bug where geometry information was not saved out when using SaveCanSAS1D.
+- Fixed LOQ Batch mode bug where custom user file without a .txt ending was not being picked up.
+- Fixed Batch mode bug where the output name suffix was hardcoded to SANS2D. It now takes the individual instruments into account.
`Full list of changes on github <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.10%22+is%3Amerged+label%3A%22Component%3A+SANS%22>`__
diff --git a/docs/source/release/v3.10.0/ui.rst b/docs/source/release/v3.10.0/ui.rst
index ec933e261200fca3c7146c2f7d343a4e22612a69..4ab98421db5f9f6ff9ce5b3650236f28d59d0895 100644
--- a/docs/source/release/v3.10.0/ui.rst
+++ b/docs/source/release/v3.10.0/ui.rst
@@ -17,9 +17,12 @@ OS X
User Interface
--------------
+
Instrument View
###############
- Fixed a bug preventing the some of the banks from being visible when using a U correction.
+ - Fixed a bug where pressing delete would delete a workspace even when the dock was not focused.
+ - Fixed a bug where the user would not be prompted before deleting workspaces even if confirmations were turned on.
Plotting Improvements
#####################
@@ -27,6 +30,12 @@ Plotting Improvements
Algorithm Toolbox
#################
+- The Algorithm Progress bar has been improved to handle reporting the progress of multiple algorithms much better. Now it will correctly show the progress of the most recently started algorithms, and correctly move onto the next most recent should the first finish sooner. In addition the "Details" button now shows whether Mantid is Idle or how many algorithms it is running.
+
+.. figure:: ../../images/Progress_running.png
+ :class: screenshot
+ :width: 396px
+
Scripting Window
################
diff --git a/docs/source/release/v3.9.0/index.rst b/docs/source/release/v3.9.0/index.rst
index 4dcdf24c70a30ced732803d06cc0889e7b44a24f..7e2ac5642e0ec16e190caa91e98e64a1446b9dcc 100644
--- a/docs/source/release/v3.9.0/index.rst
+++ b/docs/source/release/v3.9.0/index.rst
@@ -1,3 +1,5 @@
+.. _v3.9.0:
+
==========================
Mantid 3.9.0 Release Notes
==========================
diff --git a/docs/source/release/v3.9.1/index.rst b/docs/source/release/v3.9.1/index.rst
new file mode 100644
index 0000000000000000000000000000000000000000..385dcb06b0529c0a03246df5161f6bd25f99c89d
--- /dev/null
+++ b/docs/source/release/v3.9.1/index.rst
@@ -0,0 +1,101 @@
+.. _v3.9.1:
+
+==========================
+Mantid 3.9.1 Release Notes
+==========================
+
+.. contents:: Table of Contents
+ :local:
+
+This is a patch release that corrects some significant issues since :ref:`version 3.9.0 <v3.9.0>`.
+
+There is no common theme to the fixes contained in this patch, rather it is collection of small but significant fixes. Please see below
+for the full list of changes.
+
+Citation
+--------
+
+Please cite any usage of Mantid as follows:
+
+- *Mantid 3.9.1: Manipulation and Analysis Toolkit for Instrument Data.; Mantid Project*.
+ `doi: 10.5286/Software/Mantid3.9.1 <http://dx.doi.org/10.5286/Software/Mantid3.9.1>`_
+
+
+Changes in this version
+-----------------------
+
+* `18777 <https://www.github.com/mantidproject/mantid/pull/18777>`_ Add live data address for MANDI
+* `18833 <https://www.github.com/mantidproject/mantid/pull/18833>`_ Added check for if nonorthogonal axes should be displayed
+* `18857 <https://www.github.com/mantidproject/mantid/pull/18857>`_ Indirect Diffraction - OSIRIS diffonly interface crash
+* `18865 <https://www.github.com/mantidproject/mantid/pull/18865>`_ Fix bug in reflectometry GUI
+* `18875 <https://www.github.com/mantidproject/mantid/pull/18875>`_ U correction not correctly applied to viewport
+* `18884 <https://www.github.com/mantidproject/mantid/pull/18884>`_ Add support for NeXus files in LoadVesuvio
+* `18888 <https://www.github.com/mantidproject/mantid/pull/18888>`_ Fix LOQ Batch reduction issues
+* `18891 <https://www.github.com/mantidproject/mantid/pull/18891>`_ Fix bug in gd_prtn_chrg for chunked data
+* `18907 <https://www.github.com/mantidproject/mantid/pull/18907>`_ Fix zeropadding for IMAT in Facilities.XML
+* `18914 <https://www.github.com/mantidproject/mantid/pull/18914>`_ Fix mass ws deletion bug
+* `18915 <https://www.github.com/mantidproject/mantid/pull/18915>`_ Add missing parameter in function call in performance test
+* `18926 <https://www.github.com/mantidproject/mantid/pull/18926>`_ Fix wrong detector selection when loading high angle bank user files in ISIS SANS
+* `18927 <https://www.github.com/mantidproject/mantid/pull/18927>`_ Fix sum file behaviour for vesuvio diffraction
+* `18952 <https://www.github.com/mantidproject/mantid/pull/18952>`_ Fix an issue in TimeSeriesProperty
+* `18955 <https://www.github.com/mantidproject/mantid/pull/18955>`_ Fix crash in MonitorDlg
+* `18959 <https://www.github.com/mantidproject/mantid/pull/18959>`_ Blank instrument view with U correction
+* `18972 <https://www.github.com/mantidproject/mantid/pull/18972>`_ Fix reading dead time data in Muon interface
+* `18979 <https://www.github.com/mantidproject/mantid/pull/18979>`_ Fix delete confirmations in workspace dock
+* `18984 <https://www.github.com/mantidproject/mantid/pull/18984>`_ Abins: Correct setting numerical zero for b_tensors
+* `18995 <https://www.github.com/mantidproject/mantid/pull/18995>`_ Add bank43 to TOPAZ IDF this run cycle
+
+
+Summary of impact
+-----------------
+
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| Issue | Impact | Solution | Side Effect |
+| | | | Probability |
++=======+===================================================================================+=============================================+==============+
+| 18777 | Allow MANDI to use live data | Add address to facilities file | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18833 | HKL axes now respect the non-orthogonal checkbox | Add check if button is in a checked state | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18857 | Diffraction reduction in diffonly mode does not crash fro OSIRIS | Only run OSIRIS-specific reduction | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18865 | Correct behaviour when no transmission run is provided | Add check if runs are provided | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18875 | Displays all of instrument when U correction applied | Apply U correction in appropriate all places| **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18884 | Allows Vesuvio to Load NeXus files from current cycle | Use Load not LoadRaw in algorithm | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18888 | Fixes batch reduction for LOQ at ISIS | Checks correctly for userfile in batch run | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18891 | Fixes bug in gd_prtn_chrg for chunked data | Recalculate proton charge just prior to use | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18907 | Allows IMAT to use general file finding mechanism | Facilities file update | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18914 | Avoids crash when mass deleting hundreds of workspaces in MantidPlot | Call single algorithm in separate thread | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18915 | Fixes test builds | Fix function calls | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18926 | Enables ISIS SANS to select the correct bank of the detector | Fix interpretation of list indices in GUI | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18927 | Allow Vesuvio to sum runs in diffraction reduction | Fix incorrect assignment in loop | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18952 | Avoid out of bounds access when comparing TimeSeriesProperty objects | Check real size of objects first | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18955 | Avoid possible crash in algorithm monitor dialog | Check for null pointer | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18959 | Fixes blank view when U correction applied | Fix missing call after #18875 | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18972 | Loads data with/without dead-time correction as per user request | Clear data cache after option is updated | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18979 | Brings back delete confirmation dialog on removing workspace | Propagate setting to relevant objects | **medium** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18984 | Sets a minimum threshold for values of B tensor in Abins | Check values on load | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+| 18995 | Mantid now recognises bank 43 of TOPAZ | Update IDF | **low** |
++-------+-----------------------------------------------------------------------------------+---------------------------------------------+--------------+
+
+.. _download page: http://download.mantidproject.org
+
+.. _forum: http://forum.mantidproject.org
+
+.. _GitHub release page: https://github.com/mantidproject/mantid/releases/tag/v3.9.1
diff --git a/instrument/Facilities.xml b/instrument/Facilities.xml
index 94229ea35636932cb2e124ca6b9d0618456a660b..04674485361d83fe6b8fc509350d9624f25eb0fb 100644
--- a/instrument/Facilities.xml
+++ b/instrument/Facilities.xml
@@ -78,6 +78,7 @@
<instrument name="IMAT">
<technique>Neutron Imaging</technique>
+ <zeropadding size="8"/>
<livedata>
<connection name="histo" address="NDXIMAT:6789" listener="ISISHistoDataListener" />
</livedata>
@@ -511,6 +512,9 @@
<technique>Neutron Diffraction</technique>
<technique>Single Crystal Diffraction</technique>
<technique>Protein Crystallography</technique>
+ <livedata>
+ <connection name="event" address="bl11b-daq1.sns.gov:31415" listener="SNSLiveEventDataListener" />
+ </livedata>
</instrument>
<instrument name="TOPAZ" beamline="12">
diff --git a/instrument/HB3A_Definition.xml b/instrument/HB3A_Definition.xml
index 3cd97a7ca82d4e53e2d4015b721a63efdc94c562..2042b6a8fa943d6c18dafb39dc7f32b369b28823 100644
--- a/instrument/HB3A_Definition.xml
+++ b/instrument/HB3A_Definition.xml
@@ -1,5 +1,5 @@
<?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="2015-05-18 10:35:21.877396" name="HB3A" valid-from="2015-05-18 10:35:21" 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">
+<instrument xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://www.mantidproject.org/IDF/1.0" last-modified="2015-05-18 10:35:21.877396" name="HB3A" valid-from="2010-05-18 10:35:21" valid-to="2017-02-11 23:59:59" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 http://schema.mantidproject.org/IDF/1.0/IDFSchema.xsd">
<!--Created by Wenduo Zhou-->
<!--SOURCE-->
<component type="moderator">
diff --git a/instrument/HB3A_Definition_2017-02-12.xml b/instrument/HB3A_Definition_2017-02-12.xml
new file mode 100644
index 0000000000000000000000000000000000000000..5cdc7e328cb72132c8b939a1a106781e39a882eb
--- /dev/null
+++ b/instrument/HB3A_Definition_2017-02-12.xml
@@ -0,0 +1,54 @@
+<?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="2017-02-18 10:35:21.877396" name="HB3A" valid-from="2017-02-12 10:35:21" 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">
+ <!--Created by Wenduo Zhou-->
+ <!--SOURCE-->
+ <component type="moderator">
+ <location z="-2.0"/>
+ </component>
+ <type is="Source" name="moderator"/>
+ <!--SAMPLE-->
+ <component type="sample-position">
+ <location x="0.0" y="0.0" z="0.0"/>
+ </component>
+ <type is="SamplePos" name="sample-position"/>
+ <!--PANEL-->
+ <component idfillbyfirst="x" idstart="1" idstepbyrow="512" type="arm">
+ <location name="bank1">
+ <parameter name="r-position">
+ <logfile eq="1.0*value+0.3750" id="diffr"/>
+ </parameter>
+ <parameter name="t-position">
+ <logfile eq="-1.0*value+0.0" id="2theta"/>
+ </parameter>
+ <parameter name="p-position">
+ <value val="0.0"/>
+ </parameter>
+ <parameter name="roty">
+ <logfile eq="-1.0*value+0.0" id="2theta"/>
+ </parameter>
+ </location>
+ </component>
+ <type name="arm">
+ <component type="panel">
+ <location>
+ <parameter name="x">
+ <logfile eq='value' id='deltax'/>
+ </parameter>
+ <parameter name="y">
+ <logfile eq='value' id='deltay'/>
+ </parameter>
+ </location>
+ </component>
+ </type>
+ <type is="rectangular_detector" name="panel" type="pixel" xpixels="512" xstart="0.0564140625" xstep="-0.0002265625" ypixels="512" ystart="-0.0355703125" ystep="0.0002265625">
+ </type>
+ <type is="detector" name="pixel">
+ <cuboid id="pixel-shape">
+ <left-front-bottom-point x="-0.00011328125" y="-0.00011328125" z="0.0"/>
+ <left-front-top-point x="-0.00011328125" y="0.00011328125" z="0.0"/>
+ <left-back-bottom-point x="-0.00011328125" y="-0.00011328125" z="-0.0001"/>
+ <right-front-bottom-point x="0.00011328125" y="-0.00011328125" z="0.0"/>
+ </cuboid>
+ <algebra val="pixel-shape"/>
+ </type>
+</instrument>
diff --git a/instrument/REF_M_Definition.xml b/instrument/REF_M_Definition.xml
index f6ed1a335f8b652e973562019390664f966e7bfb..0428e5728c833343f3d836c5e78007b1c7e1be45 100644
--- a/instrument/REF_M_Definition.xml
+++ b/instrument/REF_M_Definition.xml
@@ -1,7 +1,7 @@
<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="REF_M" valid-from="2015-12-19 00:00:00"
+ name="REF_M" valid-from="2000-12-19 00:00:00"
valid-to="2100-01-31 23:59:59"
last-modified="2000-12-19 00:00:00">
<defaults>
diff --git a/instrument/TOPAZ_Definition_2016-07-14.xml b/instrument/TOPAZ_Definition_2016-07-14.xml
index cbd6aa254266a5c0b42257afc33a5082bfd7adf4..537a4fbc126f6906a7fd090c3f44f0e8513f0b4a 100644
--- a/instrument/TOPAZ_Definition_2016-07-14.xml
+++ b/instrument/TOPAZ_Definition_2016-07-14.xml
@@ -5,7 +5,7 @@
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="TOPAZ" valid-from ="2016-07-14 00:00:00"
- valid-to ="2100-12-31 23:59:59"
+ valid-to ="2017-02-23 23:59:59"
last-modified="2016-07-16 18:35:00">
<!--Created by Vickie Lynch-->
diff --git a/instrument/TOPAZ_Definition_2017-02-24.xml b/instrument/TOPAZ_Definition_2017-02-24.xml
new file mode 100644
index 0000000000000000000000000000000000000000..d967bc270b4b0806edc2bfc5b240ea9b3130a904
--- /dev/null
+++ b/instrument/TOPAZ_Definition_2017-02-24.xml
@@ -0,0 +1,266 @@
+<?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="TOPAZ" valid-from ="2017-02-24 00:00:00"
+ valid-to ="2100-12-31 23:59:59"
+ last-modified="2017-02-24 10:00:00">
+
+ <!--Created by Vickie Lynch-->
+ <!--Modified by Vickie Lynch using the TOPAZ.py script from the Translation Service calibration/geometry/ code. -->
+ <!--DEFAULTS-->
+ <defaults>
+ <length unit="metre"/>
+ <angle unit="degree"/>
+ <reference-frame>
+ <along-beam axis="z"/>
+ <pointing-up axis="y"/>
+ <handedness val="right"/>
+ </reference-frame>
+ <default-view view="spherical_y"/>
+ </defaults>
+
+ <!--SOURCE-->
+ <component type="moderator">
+ <location z="-18.0"/>
+ </component>
+ <type name="moderator" is="Source"/>
+
+ <!--SAMPLE-->
+ <component type="sample-position">
+ <location y="0.0" x="0.0" z="0.0"/>
+ </component>
+ <type name="sample-position" is="SamplePos"/>
+
+ <!--MONITORS-->
+ <component type="monitors" idlist="monitors">
+ <location/>
+ </component>
+ <type name="monitors">
+ <component type="monitor">
+ <location z="-2.488" name="monitor1"/>
+ </component>
+ <component type="monitor">
+ <location z="1.049" name="monitor2"/>
+ </component>
+ </type>
+
+<!-- XML Code automatically generated on 2017-02-23 19:10:27.383176 for the Mantid instrument definition file -->
+<component type="panel" idstart="851968" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="105.192621" p="-33.305992" name="bank13" rot="-99.919712" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="917504" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="133.320872" p="-46.751427" name="bank14" rot="-63.920201" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1048576" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="133.320872" p="-133.248573" name="bank16" rot="8.080272" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1114112" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="105.192621" p="-146.694008" name="bank17" rot="44.079783" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1179648" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="74.807731" p="-146.694071" name="bank18" rot="80.079867" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1245184" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.455000" t="46.678985" p="-133.248429" name="bank19" rot="116.080009" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="53.154399">
+ <rot val="41.466968" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1310720" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="23.905622" p="-42.859145" name="bank20" rot="-177.410228" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1376256" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="55.596651" p="-19.516218" name="bank21" rot="-141.410201" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1441792" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="90.000202" p="-16.000018" name="bank22" rot="-105.410002" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1507328" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="124.403098" p="-19.516157" name="bank23" rot="-69.410491" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1703936" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="124.403098" p="-160.483843" name="bank26" rot="38.590066" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1769472" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="90.000202" p="-163.999982" name="bank27" rot="74.589577" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1835008" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="55.596651" p="-160.483782" name="bank28" rot="110.589776" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="1900544" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="23.905622" p="-137.140855" name="bank29" rot="146.589803" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2162688" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="108.000253" p="0.000000" name="bank33" rot="-71.999747" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2228224" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="143.999764" p="0.000000" name="bank34" rot="-36.000236" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2359296" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="143.999764" p="180.000000" name="bank36" rot="36.000236" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2424832" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="108.000253" p="180.000000" name="bank37" rot="71.999747" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2490368" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="72.000168" p="180.000000" name="bank38" rot="107.999832" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2555904" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.395000" t="36.000027" p="180.000000" name="bank39" rot="143.999973" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="45.000000">
+ <rot val="0.000000" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="2818048" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="124.403098" p="19.516157" name="bank43" rot="-38.590066" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="-22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="3014656" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="124.403098" p="160.483843" name="bank46" rot="69.410491" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="-22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="3080192" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="90.000202" p="163.999982" name="bank47" rot="105.410002" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="-22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="3145728" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="55.596651" p="160.483782" name="bank48" rot="141.410201" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="-22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<component type="panel" idstart="3211264" idfillbyfirst="y" idstepbyrow="256">
+<location r="0.425000" t="23.905622" p="137.140855" name="bank49" rot="177.410228" axis-x="0" axis-y="1" axis-z="0">
+ <rot val="47.178655">
+ <rot val="-22.073524" axis-x="0" axis-y="1" axis-z="0" />
+ </rot>
+</location>
+</component>
+<!-- List of all the bank names:
+ bank13,bank14,bank16,bank17,bank18,bank19,bank20,bank21,bank22,bank23,bank26,bank27,bank28,bank29,bank33,bank34,bank36,bank37,bank38,bank39,bank43,bank46,bank47,bank48,bank49
+-->
+
+<!-- NOTE: This detector is the same as the SNAP detector -->
+<!-- Rectangular Detector Panel -->
+<type name="panel" is="rectangular_detector" type="pixel"
+ xpixels="256" xstart="-0.078795" xstep="+0.000618"
+ ypixels="256" ystart="-0.078795" ystep="+0.000618" >
+ <properties/>
+</type>
+
+ <!-- Pixel for Detectors-->
+ <type is="detector" name="pixel">
+ <cuboid id="pixel-shape">
+ <left-front-bottom-point y="-0.000309" x="-0.000309" z="0.0"/>
+ <left-front-top-point y="0.000309" x="-0.000309" z="0.0"/>
+ <left-back-bottom-point y="-0.000309" x="-0.000309" z="-0.0001"/>
+ <right-front-bottom-point y="-0.000309" x="0.000309" z="0.0"/>
+ </cuboid>
+ <algebra val="pixel-shape"/>
+ </type>
+
+ <!-- Shape for Monitors-->
+ <!-- TODO: Update to real shape -->
+ <type is="monitor" name="monitor">
+ <cylinder id="some-shape">
+ <centre-of-bottom-base p="0.0" r="0.0" t="0.0"/>
+ <axis y="0.0" x="0.0" z="1.0"/>
+ <radius val="0.01"/>
+ <height val="0.03"/>
+ </cylinder>
+ <algebra val="some-shape"/>
+ </type>
+
+ <!--MONITOR IDs-->
+ <idlist idname="monitors">
+ <id val="-1"/>
+ <id val="-2"/>
+ </idlist>
+</instrument>
diff --git a/scripts/AbinsModules/AbinsConstants.py b/scripts/AbinsModules/AbinsConstants.py
index d95cb63a8f2ea72191e28ad3a25cf285db6ea7fc..308655693a4f2cdc3f4ea056e7555c12bec44c52 100644
--- a/scripts/AbinsModules/AbinsConstants.py
+++ b/scripts/AbinsModules/AbinsConstants.py
@@ -132,6 +132,7 @@ MIN_SIZE = 2 # minimal size of an array
# values of S below that are considered to be zero
S_THRESHOLD = 10e-8
THRESHOLD = 10e-15
+NUM_ZERO = 10e-15
MAX_ORDER = 4 # max quantum order event
diff --git a/scripts/AbinsModules/CalculatePowder.py b/scripts/AbinsModules/CalculatePowder.py
index a9541c5f75929fe3cfc237df0c65102472e52584..6f781a94b26ded7165c3e3b47bf2cbdc9e20942a 100644
--- a/scripts/AbinsModules/CalculatePowder.py
+++ b/scripts/AbinsModules/CalculatePowder.py
@@ -89,8 +89,9 @@ class CalculatePowder(object):
# b_tensors[num_atoms, num_freq, dim, dim]
b_tensors = np.einsum('ijkl,ij->ijkl', np.einsum('lki, lkj->lkij', disp, disp).real, factor)
- indices = b_tensors < AbinsModules.AbinsConstants.THRESHOLD
- b_tensors[indices] = AbinsModules.AbinsConstants.THRESHOLD
+ temp = np.fabs(b_tensors)
+ indices = temp < AbinsModules.AbinsConstants.NUM_ZERO
+ b_tensors[indices] = AbinsModules.AbinsConstants.NUM_ZERO
# a_tensors[num_atoms, dim, dim]
a_tensors = np.sum(a=b_tensors, axis=1)
diff --git a/scripts/Calibration/tube_calib.py b/scripts/Calibration/tube_calib.py
index 2064245b351be662fa9de98467b8b12abdccadc1..77e7c45152b1e1ae0fe9419cfa46d538125a0192 100644
--- a/scripts/Calibration/tube_calib.py
+++ b/scripts/Calibration/tube_calib.py
@@ -127,8 +127,8 @@ def fitGaussian(fitPar, index, ws, outputWs):
RIGHTLIMIT = len(all_values)
- min_index = max(centre-margin,0)
- max_index = min(centre+margin, RIGHTLIMIT)
+ min_index = max(centre-int(margin),0)
+ max_index = min(centre+int(margin), RIGHTLIMIT)
values = all_values[min_index:max_index]
# find the peak position
diff --git a/scripts/CompareFitMinimizers/color_definitions.txt b/scripts/CompareFitMinimizers/color_definitions.txt
new file mode 100644
index 0000000000000000000000000000000000000000..2b80c77a63d5a2ef23329a7c5767effb17a11228
--- /dev/null
+++ b/scripts/CompareFitMinimizers/color_definitions.txt
@@ -0,0 +1,31 @@
+.. .. these are for the color scale "goodness of fit"
+.. role:: ranking-top-1
+.. role:: ranking-top-2
+.. role:: ranking-med-3
+.. role:: ranking-low-4
+.. role:: ranking-low-5
+
+
+.. .. This is for the ranking/gradient colors in the table cells. The function changes the class
+ of the parents of the text/numbers that go in some table cells (as span elements), so that the cells themselves
+ (parents) are assigned a certain style class (background color)
+
+.. raw:: html
+
+ <script src="https://ajax.googleapis.com/ajax/libs/jquery/3.1.0/jquery.min.js"></script>
+ <script>
+ $(document).ready(function() {
+ $('.ranking-top-1').parent().addClass('ranking-top-1-parent');
+ $('.ranking-top-2').parent().addClass('ranking-top-2-parent');
+ $('.ranking-med-3').parent().addClass('ranking-med-3-parent');
+ $('.ranking-low-4').parent().addClass('ranking-low-4-parent');
+ $('.ranking-low-5').parent().addClass('ranking-low-5-parent');
+ });
+ </script>
+ <style>
+ .ranking-top-1-parent {background-color:#fef0d9;}
+ .ranking-top-2-parent {background-color:#fdcc8a;}
+ .ranking-med-3-parent {background-color:#fc8d59;}
+ .ranking-low-4-parent {background-color:#e34a33;}
+ .ranking-low-5-parent {background-color:#b30000;}
+ </style>
diff --git a/scripts/CompareFitMinimizers/fitting_benchmarking.py b/scripts/CompareFitMinimizers/fitting_benchmarking.py
index 582f53322c382d9d67082c1364d75ef99d651ab8..6195b5ddf1f59df0410eebdd0dd54efdb69b582c 100644
--- a/scripts/CompareFitMinimizers/fitting_benchmarking.py
+++ b/scripts/CompareFitMinimizers/fitting_benchmarking.py
@@ -230,7 +230,8 @@ def do_fitting_benchmark_one_problem(prob, minimizers, use_errors=True):
result.params = params
result.errors = errors
result.sum_err_sq = sum_err_sq
- result.runtime = t_end - t_start
+ # If the fit has failed, also set the runtime to NaN
+ result.runtime = t_end - t_start if not np.isnan(chi2) else np.nan
print("Result object: {0}".format(result))
results_problem_start.append(result)
diff --git a/scripts/CompareFitMinimizers/results_output.py b/scripts/CompareFitMinimizers/results_output.py
index 9ed41095057d5fc7bfdd30cac551c58a4411e99b..bf3d8c91c02e259dc5551f8d6cbf1244fbdf4e8c 100644
--- a/scripts/CompareFitMinimizers/results_output.py
+++ b/scripts/CompareFitMinimizers/results_output.py
@@ -25,7 +25,9 @@ formats such as RST and plain text.
from __future__ import (absolute_import, division, print_function)
import numpy as np
+from docutils.core import publish_string
import post_processing as postproc
+import os
# older version of numpy does not support nanmean and nanmedian
# and nanmean and nanmedian was removed in scipy 0.18 in favor of numpy
@@ -39,6 +41,12 @@ except ImportError:
BENCHMARK_VERSION_STR = 'v3.8'
FILENAME_SUFFIX_ACCURACY = 'acc'
FILENAME_SUFFIX_RUNTIME = 'runtime'
+FILENAME_EXT_TXT = 'txt'
+FILENAME_EXT_HTML = 'html'
+# Directory of where the script is called from (e.g. MantidPlot dir)
+WORKING_DIR = os.getcwd()
+# Directory of this script (e.g. in source)
+SCRIPT_DIR = os.path.dirname(__file__)
def print_group_results_tables(minimizers, results_per_test, problems_obj, group_name, use_errors,
@@ -82,13 +90,12 @@ def print_group_results_tables(minimizers, results_per_test, problems_obj, group
print(header)
print (tbl_acc_indiv)
- # optionally save the above table to file
+ # optionally save the above table to a .txt file and a .html file
if save_to_file:
- fname = ('comparison_{weighted}_{version}_{metric_type}_{group_name}.txt'.
- format(weighted=weighted_suffix_string(use_errors),
- version=BENCHMARK_VERSION_STR, metric_type=FILENAME_SUFFIX_ACCURACY, group_name=group_name))
- with open(fname, 'w') as tbl_file:
- print(tbl_acc_indiv, file=tbl_file)
+ save_table_to_file(table_data=tbl_acc_indiv, errors=use_errors, group_name=group_name,
+ metric_type=FILENAME_SUFFIX_ACCURACY, file_extension=FILENAME_EXT_TXT)
+ save_table_to_file(table_data=tbl_acc_indiv, errors=use_errors, group_name=group_name,
+ metric_type=FILENAME_SUFFIX_ACCURACY, file_extension=FILENAME_EXT_HTML)
# print out accuracy summary table for this group of fit problems
ext_summary_cols = minimizers
@@ -110,13 +117,12 @@ def print_group_results_tables(minimizers, results_per_test, problems_obj, group
print(header)
print (tbl_runtime_indiv)
- # optionally save the above table to file
+ # optionally save the above table to a .txt file and a .html file
if save_to_file:
- fname = ('comparison_{weighted}_{version}_{metric_type}_{group_name}.txt'.
- format(weighted=weighted_suffix_string(use_errors),
- version=BENCHMARK_VERSION_STR, metric_type=FILENAME_SUFFIX_RUNTIME, group_name=group_name))
- with open(fname, 'w') as tbl_file:
- print(tbl_runtime_indiv, file=tbl_file)
+ save_table_to_file(table_data=tbl_runtime_indiv, errors=use_errors, group_name=group_name,
+ metric_type=FILENAME_SUFFIX_RUNTIME, file_extension=FILENAME_EXT_TXT)
+ save_table_to_file(table_data=tbl_runtime_indiv, errors=use_errors, group_name=group_name,
+ metric_type=FILENAME_SUFFIX_RUNTIME, file_extension=FILENAME_EXT_HTML)
# print out runtime summary table for this group of fit problems
tbl_runtime_summary = build_rst_table(ext_summary_cols, ext_summary_rows, summary_cells_runtime,
@@ -127,6 +133,32 @@ def print_group_results_tables(minimizers, results_per_test, problems_obj, group
print(tbl_runtime_summary)
+def save_table_to_file(table_data, errors, group_name, metric_type, file_extension):
+ """
+ Saves a group results table or overall results table to a given file type.
+
+ :param table_data: the results table
+ :param errors: whether to use observational errors
+ :param group_name: name of this group of problems (example 'NIST "lower difficulty"', or
+ 'Neutron data')
+ :param metric_type: the test type of the table data (e.g. runtime, accuracy)
+ :param file_extension: the file type extension (e.g. html)
+ """
+ file_name = ('comparison_{weighted}_{version}_{metric_type}_{group_name}.'
+ .format(weighted=weighted_suffix_string(errors),
+ version=BENCHMARK_VERSION_STR, metric_type=metric_type, group_name=group_name))
+
+ if file_extension == 'html':
+ rst_content = '.. include:: ' + str(os.path.join(SCRIPT_DIR, 'color_definitions.txt'))
+ rst_content += '\n' + table_data
+ table_data = publish_string(rst_content, writer_name='html')
+
+ with open(file_name + file_extension, 'w') as tbl_file:
+ print(table_data, file=tbl_file)
+ print('Saved {file_name}{extension} to {working_directory}'.
+ format(file_name=file_name, extension=file_extension, working_directory=WORKING_DIR))
+
+
def build_indiv_linked_problems(results_per_test, group_name):
"""
Makes a list of linked problem names which would be used for the
@@ -198,11 +230,8 @@ def print_overall_results_table(minimizers, group_results, problems, group_names
print(tbl_all_summary_acc)
if save_to_file:
- fname = ('comparison_{weighted}_{version}_{metric_type}_{group_name}.txt'.
- format(weighted=weighted_suffix_string(use_errors),
- version=BENCHMARK_VERSION_STR, metric_type=FILENAME_SUFFIX_ACCURACY, group_name='summary'))
- with open(fname, 'w') as tbl_file:
- print(tbl_all_summary_acc, file=tbl_file)
+ save_table_to_file(tbl_all_summary_acc, use_errors, 'summary', FILENAME_SUFFIX_ACCURACY, FILENAME_EXT_TXT)
+ save_table_to_file(tbl_all_summary_acc, use_errors, 'summary', FILENAME_SUFFIX_ACCURACY, FILENAME_EXT_HTML)
header = '**************** Runtime ******** \n\n'
print(header)
@@ -212,11 +241,8 @@ def print_overall_results_table(minimizers, group_results, problems, group_names
print(tbl_all_summary_runtime)
if save_to_file:
- fname = ('comparison_{weighted}_{version}_{metric_type}_{group_name}.txt'.
- format(weighted=weighted_suffix_string(use_errors),
- version=BENCHMARK_VERSION_STR, metric_type=FILENAME_SUFFIX_RUNTIME, group_name='summary'))
- with open(fname, 'w') as tbl_file:
- print(tbl_all_summary_runtime, file=tbl_file)
+ save_table_to_file(tbl_all_summary_runtime, use_errors, 'summary', FILENAME_SUFFIX_RUNTIME, FILENAME_EXT_TXT)
+ save_table_to_file(tbl_all_summary_runtime, use_errors, 'summary', FILENAME_SUFFIX_RUNTIME, FILENAME_EXT_HTML)
def weighted_suffix_string(use_errors):
diff --git a/scripts/CryPowderISIS/cry_focus.py b/scripts/CryPowderISIS/cry_focus.py
index 2d9c7c13ab69a7ae2321e8f88154d4a6332f782c..0cf593aee80d8ae24c7d78503551aa5259c8272c 100644
--- a/scripts/CryPowderISIS/cry_focus.py
+++ b/scripts/CryPowderISIS/cry_focus.py
@@ -1,5 +1,6 @@
# pylint: disable=too-many-arguments,unused-variable
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
from os.path import join
import cry_utils
@@ -19,7 +20,7 @@ def focus_all(EXPR_FILE, samplelistTexte, scale=0, NoVabs=False, NoSAC=False, Ef
scale = float(EXPR_FILE.scale)
# === Norm boolean flag used to Optionally correct to a Vana ===
if Norm:
- print 'Existing Vana Status:' + EXPR_FILE.ExistV
+ print('Existing Vana Status:' + EXPR_FILE.ExistV)
# SAC/EFF corrections loads the Vana
load_sac_eff(EXPR_FILE, NoSAC=NoSAC, Eff=Eff)
if EXPR_FILE.ExistV == "load":
@@ -29,7 +30,7 @@ def focus_all(EXPR_FILE, samplelistTexte, scale=0, NoVabs=False, NoSAC=False, Ef
LoadNexusProcessed(Filename=vanfil, OutputWorkspace="Vanadium-" + str(i))
# CORRECT
elif EXPR_FILE.ExistV == "no" and EXPR_FILE.VGrpfocus == "van":
- print "was here?"
+ print("was here?")
cry_vana.create_vana(EXPR_FILE, NoAbs=NoVabs, write_existingv=Write_ExtV)
else:
load_sac_eff(EXPR_FILE, NoSAC=True)
@@ -38,10 +39,10 @@ def focus_all(EXPR_FILE, samplelistTexte, scale=0, NoVabs=False, NoSAC=False, Ef
# to loop over
isfirst = True
for sample2Add in sampleSumLists:
- print '--------------------------'
- print ' Start focus here '
- print '--------------------------'
- print " ---> " + focus_one(EXPR_FILE, sample2Add, scale, Norm, isfirst, NoAbs=NoVabs)
+ print('--------------------------')
+ print(' Start focus here ')
+ print('--------------------------')
+ print(" ---> " + focus_one(EXPR_FILE, sample2Add, scale, Norm, isfirst, NoAbs=NoVabs))
isfirst = False
#
# changed by WAK 8/3/2011:delete workspaces
@@ -60,17 +61,17 @@ def load_sac_eff(EXPR_FILE, NoSAC=False, Eff=True):
EXPR_FILE.Path2VanGrpFile = newCalFile
if NoSAC:
CreateSingleValuedWorkspace(OutputWorkspace="Corr", DataValue=str(1))
- print " => No SAC/Eff applied "
+ print(" => No SAC/Eff applied ")
return
else:
# First try to load the vana (this won't crash if no vana run is set)....
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VanFile, "Vanadium", EXPR_FILE)
uampstotal = mtd["Vanadium"].getRun().getProtonCharge()
if uampstotal < 1e-6:
- print " => Van NOT found : No SAC/eff correction will be applied"
+ print(" => Van NOT found : No SAC/eff correction will be applied")
CreateSingleValuedWorkspace(OutputWorkspace="Corr", DataValue=str(1))
else:
- print ' => Pre-calculate SAC from Vana '
+ print(' => Pre-calculate SAC from Vana ')
Integration(InputWorkspace="Vanadium", OutputWorkspace="VanadiumSum")
# Modified test equal to Zero the 17/10/2012
MaskDetectorsIf(InputWorkspace="VanadiumSum", InputCalFile=EXPR_FILE.Path2GrpFile,
@@ -85,7 +86,7 @@ def load_sac_eff(EXPR_FILE, NoSAC=False, Eff=True):
mtd.remove("SAC")
if Eff:
Divide(LHSWorkspace="Vanadium", RHSWorkspace="Corr", OutputWorkspace="Eff")
- print ' => Pre-calculate Efficiency correction from Vana '
+ print(' => Pre-calculate Efficiency correction from Vana ')
ConvertUnits(InputWorkspace="Eff", OutputWorkspace="Eff", Target="Wavelength")
Integration(InputWorkspace="Eff", OutputWorkspace="Eff",
RangeLower=EXPR_FILE.LowerLambda, RangeUpper=EXPR_FILE.UpperLambda)
@@ -175,7 +176,7 @@ def focus_one(EXPR_FILE, sampleAdd, scale, Norm, isfirst=False, NoAbs=False):
def divide_samp_vana(EXPR_FILE, Norm):
- print " => SAMPLE FOCUSED"
+ print(" => SAMPLE FOCUSED")
if not EXPR_FILE.dataRangeSet:
cry_load.sets_drange("sample", EXPR_FILE)
cry_load.split_bank("sample", EXPR_FILE.bankList, Del=False)
diff --git a/scripts/CryPowderISIS/cry_ini.py b/scripts/CryPowderISIS/cry_ini.py
index b01aff73110abbd32471e96a7b6baacd5d06e7e7..b3fd6e77c199a32f451c8e2584cb45341c2f4f3e 100644
--- a/scripts/CryPowderISIS/cry_ini.py
+++ b/scripts/CryPowderISIS/cry_ini.py
@@ -1,15 +1,16 @@
#pylint: disable=attribute-defined-outside-init,undefined-loop-variable,too-many-arguments,too-many-branches,
#pylint: disable=too-many-instance-attributes,old-style-class,global-variable-not-assigned
+from __future__ import (absolute_import, division, print_function)
import cry_utils
import re
import os.path
from os.path import abspath, join, dirname
ANALYSIS_DIR = ''
-#print '--------------------- '
-#print 'Using the B:\\MantidPowderFocus\\\scripts2\\CRY_ini.py scripts... '
-#print '--------------------- '
+#print('--------------------- ')
+#print('Using the B:\\MantidPowderFocus\\\scripts2\\CRY_ini.py scripts... ')
+#print('--------------------- ')
class Files:
@@ -23,9 +24,9 @@ class Files:
self.InsDir = join(dirname(abspath(__file__)), instr)
else:
self.InsDir = join(inputInstDir, instr)
- print '--------------------- '
- print 'INSTRUMENT DIRECTORY: ' + self.InsDir
- print '--------------------- '
+ print('--------------------- ')
+ print('INSTRUMENT DIRECTORY: ' + self.InsDir)
+ print('--------------------- ')
self.RawDir = RawDir
self.user = ""
self.basefile = instr[0:3]
@@ -126,8 +127,8 @@ class Files:
# Check existence of preference file
os.chdir(self.LstPrefDir)
- print 'look for file --->'
- print self.LstPrefDir + self.LstPreffil
+ print('look for file --->')
+ print(self.LstPrefDir + self.LstPreffil)
prefFilePath = join(self.LstPrefDir, self.LstPreffil)
fexist = os.path.exists(prefFilePath)
if not fexist:
@@ -136,7 +137,7 @@ class Files:
raise RuntimeError(msg)
else:
msg = "Preference file :" + self.LstPreffil + " FOUND in the directory :" + self.LstPrefDir + "\n"
- print msg
+ print(msg)
# Read preference file: default, read_prefline-label ALWAYS REQUIRED in pref-file
# Read preference file: optional params read with updatePrefVal
@@ -225,7 +226,7 @@ class Files:
if self.saveXYEtof or self.saveXYEd:
bankList = self.read_prefline("BankList")
self.bankList = cry_utils.get_list_int(bankList)
- print "Done"
+ print("Done")
if Verbose:
self.tell()
return ierr
@@ -253,7 +254,7 @@ class Files:
else:
msg = msg + "All the corrected vanadium file " + self.CorrVanFile + "-i.nxs exists and will be used \n"
self.ExistV = "load"
- print 'got Here!!!'
+ print('got Here!!!')
else:
if self.ExistV == "over":
msg = msg + "A corrected Van file will be created with base name " + self.CorrVanFile + " overriding \
@@ -275,7 +276,7 @@ class Files:
msg = msg + "NumberOfAnnuli = " + self.VNumberOfAnnuli + "\n"
msg = msg + "NumberOfWavelengthPoints= " + self.VNumberOfWavelengthPoints + "\n"
msg = msg + "ExpMethod = " + self.VExpMethod
- print 'after Lookup: ' + self.ExistV
+ print('after Lookup: ' + self.ExistV)
#
if self.VanPeakRemove == "interpol" or self.VanPeakRemove == "spline":
fexist = os.path.exists(self.InsDir + "/" + self.VanPeakFile)
@@ -294,13 +295,13 @@ class Files:
continue
numbers = line.rstrip().split()
self.VanPeakList[b_int].append([float(numbers[0]), float(numbers[1])])
- print "Vana Peaks will be removed by interpolation in ranges given in"
- print self.InsDir + "/" + self.VanPeakFile + '\n'
+ print("Vana Peaks will be removed by interpolation in ranges given in")
+ print(self.InsDir + "/" + self.VanPeakFile + '\n')
fvan.close()
else:
self.VanPeakWdt = self.updatePrefVal("VanPeakWdt", self.VanPeakWdt)
self.VanPeakTol = self.updatePrefVal("VanPeakTol", self.VanPeakTol)
- print msg
+ print(msg)
def setCommonRawDir(self, RawDir=""):
if RawDir != "":
@@ -351,8 +352,8 @@ class Files:
if optional:
return ""
else:
- print "Severe Warning: Field " + label + " required in pref file"
- print "PROGRAM MIGHT CRASH!..."
+ print("Severe Warning: Field " + label + " required in pref file")
+ print("PROGRAM MIGHT CRASH!...")
return ""
def write_prefline(self, label, value):
@@ -449,7 +450,7 @@ class Files:
msg = msg + " Bining " + self.Bining[i] + "\n"
for i in self.bankList:
msg = msg + "bankUsed " + str(i) + "\n"
- print msg
+ print(msg)
if __name__ == '__main__':
diff --git a/scripts/CryPowderISIS/cry_journal.py b/scripts/CryPowderISIS/cry_journal.py
index c867c1ebe84d4e9019204a615b51ee7210f80e03..41be5cb898761ddfd38f8ba819e1639aa7c71e01 100644
--- a/scripts/CryPowderISIS/cry_journal.py
+++ b/scripts/CryPowderISIS/cry_journal.py
@@ -1,5 +1,6 @@
#pylint: disable=unused-variable
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
from getcycle import *
import time
@@ -16,10 +17,10 @@ def get_journal(instrument='HRPD', ini=0, end=1):
[date_ini, time_ini] = wksp.getRun().get('run_start').value.split('T')
(date_fin, time_fin) = wksp.getRun().get('run_end').value.split('T')
if i == ini:
- print '---- %s ---------------------------------------------------------------------------' % (date_ini)
+ print('---- %s ---------------------------------------------------------------------------' % (date_ini))
if date_fin != date_ini:
- print '---- %s ---------------------------------------------------------------------------' % (date_fin)
- print '%5d| %s| %6.2f|%s' % (i, time_ini, wksp.getRun().getProtonCharge(), wksp.getTitle())
+ print('---- %s ---------------------------------------------------------------------------' % (date_fin))
+ print('%5d| %s| %6.2f|%s' % (i, time_ini, wksp.getRun().getProtonCharge(), wksp.getTitle()))
# make sure we have a strptime function!
@@ -39,8 +40,8 @@ def get_runtime(instrument='HRPD', runno=0):
except AttributeError:
from strptime import strptime
- # print strptime("31 Nov 00", "%d %b %y")
- # print strptime("1 Jan 70 1:30am", "%d %b %y %I:%M%p")
+ # print(strptime("31 Nov 00", "%d %b %y"))
+ # print(strptime("1 Jan 70 1:30am", "%d %b %y %I:%M%p"))
return (time.mktime(strptime(fin, "%Y-%m-%dT%H:%M:%S")) - time.mktime(strptime(ini, "%Y-%m-%dT%H:%M:%S"))) / 3600
@@ -57,8 +58,8 @@ def get_runtime_file(fname):
except AttributeError:
from strptime import strptime
- # print strptime("31 Nov 00", "%d %b %y")
- # print strptime("1 Jan 70 1:30pm", "%d %b %y %I:%M%p")
+ # print(strptime("31 Nov 00", "%d %b %y"))
+ # print(strptime("1 Jan 70 1:30pm", "%d %b %y %I:%M%p"))
return (time.mktime(strptime(fin, "%Y-%m-%dT%H:%M:%S")) - time.mktime(strptime(ini, "%Y-%m-%dT%H:%M:%S"))) / 3600
diff --git a/scripts/CryPowderISIS/cry_load.py b/scripts/CryPowderISIS/cry_load.py
index ee465711b347d49cda99600162cc2e728500131a..031e893b1dc6ae6bfc1f0a5c7b1f7bc935c0246f 100644
--- a/scripts/CryPowderISIS/cry_load.py
+++ b/scripts/CryPowderISIS/cry_load.py
@@ -1,3 +1,4 @@
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
from types import *
import math
@@ -14,7 +15,7 @@ def load(outputArea, pathtofile, EXPR_FILE, add=False):
# try:
# fin=open(pathtofile,"r")
# except:
- # print 'WARNING!!!!!!! '+pathtofile+' NOT FOUND'
+ # print('WARNING!!!!!!! '+pathtofile+' NOT FOUND')
# raise
# else:
# fin.close()
@@ -60,9 +61,9 @@ def sets_drange(wkspc, EXPR_FILE):
xend = str(x_data[last] * float(CropRange[1]))
datbin = math.exp(math.log(x_data[last] / x_data[0]) / last) - 1
if datbin > float(EXPR_FILE.Bining[i]):
- print 'WARNING: Rebining in *pref file ' + EXPR_FILE.Bining[
- i] + ' is lower than diffraction focusing rebining step'
- print 'WARNING: Rebining Kept to be ' + str(datbin) + ' for bank ' + str(i + 1)
+ print('WARNING: Rebining in *pref file ' + EXPR_FILE.Bining[
+ i] + ' is lower than diffraction focusing rebining step')
+ print('WARNING: Rebining Kept to be ' + str(datbin) + ' for bank ' + str(i + 1))
EXPR_FILE.Bining[i] = str(datbin)
Drange = xbegin + ",-" + EXPR_FILE.Bining[i] + "," + xend
EXPR_FILE.Drange.append(Drange)
@@ -93,7 +94,7 @@ def removeallpromptpulses(wkspace):
if __name__ == '__main__':
- print get_sample_list("1000 1245-1268 1308-1400-10")
+ print(get_sample_list("1000 1245-1268 1308-1400-10"))
# CorrectVana(VanFile,EmptyFile,AcalibFile,1)
# normalizeall(SampleDatFile,AcalibFile)
# rearrangeallbanks(OutputFile,"")
diff --git a/scripts/CryPowderISIS/cry_sample.py b/scripts/CryPowderISIS/cry_sample.py
index 78ca3c774ad41b7d862e7c42edc5bea6ebb2f0f8..f745987a19d19f6a4af6b141c277a0b57183d1ad 100644
--- a/scripts/CryPowderISIS/cry_sample.py
+++ b/scripts/CryPowderISIS/cry_sample.py
@@ -1,7 +1,7 @@
#pylint: disable=anomalous-backslash-in-string,redefined-outer-name
+from __future__ import (absolute_import, division, print_function)
import re
-
from mantid.simpleapi import *
import cry_load
@@ -21,8 +21,8 @@ def get_data_sum(sampleAdd, samLab, EXPR_FILE):
uamps, uampstot = cry_load.load(samLab, SampleFn, EXPR_FILE, add=True)
if uamps > 1e-6:
uampstotal = uampstotal + uamps
- print "'w' uamps = " + str(uampstot) + 'Data uamps =' + str(uamps) + 'Manually computed sum=' + str(
- uampstotal)
+ print("'w' uamps = " + str(uampstot) + 'Data uamps =' + str(uamps) + 'Manually computed sum=' + str(
+ uampstotal))
if firstnonzeronotfound:
# Gets BasenameRunno from SampleFn using RegEx
# try to find it as path\BasenameRunno.raw
@@ -43,7 +43,7 @@ def get_data_sum(sampleAdd, samLab, EXPR_FILE):
msg = msg + '\n' + SampleFn + " Added with " + str(uamps) + " uamp, Total=" + str(uampstotal)
if firstnonzeronotfound:
return ('', 0)
- print msg
+ print(msg)
# NormaliseByCurrent(samLab,samLab)
CreateSingleValuedWorkspace(OutputWorkspace='totuamps', DataValue=uampstotal)
Divide(LHSWorkspace=samLab, RHSWorkspace='totuamps', OutputWorkspace=samLab)
diff --git a/scripts/CryPowderISIS/cry_utils.py b/scripts/CryPowderISIS/cry_utils.py
index 02459e8276c997720d4af747ab8554a6297b4898..727e5605b179b79c5a00d0894d95d45552ace9ba 100644
--- a/scripts/CryPowderISIS/cry_utils.py
+++ b/scripts/CryPowderISIS/cry_utils.py
@@ -1,5 +1,6 @@
#pylint: disable=redefined-outer-name,unused-argument,anomalous-backslash-in-string,too-many-arguments
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
from types import *
import re
@@ -142,7 +143,7 @@ def correct_abs(InputWkspc, outputWkspc, TheCylinderSampleHeight, TheCylinderSam
if __name__ == '__main__':
# AList=git_list("1-3 15-150-10 42-44")
G_LIST = git_list("44429+44453")
- print G_LIST
- print get_sample_list(EXPR_FILE.basefile, "1000 1245-1268 1308-1400-10", direct=EXPR_FILE.RawDir)
- print get_sample_list(EXPR_FILE.basefile, "s41256 1-5 10 15-30-3", direct=EXPR_FILE.RawDir)
-# print get_list_int("1-3 15-150 42-44")
+ print(G_LIST)
+ print(get_sample_list(EXPR_FILE.basefile, "1000 1245-1268 1308-1400-10", direct=EXPR_FILE.RawDir))
+ print(get_sample_list(EXPR_FILE.basefile, "s41256 1-5 10 15-30-3", direct=EXPR_FILE.RawDir))
+# print(get_list_int("1-3 15-150 42-44"))
diff --git a/scripts/CryPowderISIS/cry_vana.py b/scripts/CryPowderISIS/cry_vana.py
index a27c5a20e14a5c6ccd6166b3026f4ed20d152064..f04726e6c7489cc58f1a1b0042887baa47b2364e 100644
--- a/scripts/CryPowderISIS/cry_vana.py
+++ b/scripts/CryPowderISIS/cry_vana.py
@@ -1,5 +1,6 @@
#pylint: disable=unused-variable
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
import cry_utils
import cry_sample
@@ -12,13 +13,13 @@ def create_vana(EXPR_FILE, NoAbs=False, write_existingv=True):
# Subtract the empty instrument ===
(dum, uampstotal) = cry_sample.get_data_sum(EXPR_FILE.VEmptyFile, "Empty", EXPR_FILE)
if uampstotal > 1e-6:
- print " => Substract the Empty to the Vana"
+ print(" => Substract the Empty to the Vana")
Minus(LHSWorkspace="Vanadium", RHSWorkspace="Empty", OutputWorkspace="Vanadium_align")
mtd.remove("Empty")
cry_load.align_fnc("Vanadium_align", EXPR_FILE)
Divide(LHSWorkspace="Vanadium_align", RHSWorkspace="Corr", OutputWorkspace="Vanadium_corr")
if not NoAbs:
- print " => Van Absortption correction"
+ print(" => Van Absortption correction")
cry_utils.correct_abs(InputWkspc="Vanadium_corr", outputWkspc="Transmission",
TheCylinderSampleHeight=EXPR_FILE.VHeight,
TheCylinderSampleRadius=EXPR_FILE.VRadius,
@@ -47,15 +48,15 @@ def create_vana(EXPR_FILE, NoAbs=False, write_existingv=True):
##ConvertUnits(InputWorkspace=InputWkspc, OutputWorkspace=InputWkspc, Target="dSpacing")
# mtd.remove("Vanadium2")
##
- print " => Focus type : " + EXPR_FILE.VGrpfocus
+ print(" => Focus type : " + EXPR_FILE.VGrpfocus)
if EXPR_FILE.VGrpfocus == "sam":
GrpFile = EXPR_FILE.Path2DatGrpFile
else:
GrpFile = EXPR_FILE.Path2VanGrpFile
- print " => Van Focused with the Cal file :" + GrpFile
+ print(" => Van Focused with the Cal file :" + GrpFile)
DiffractionFocussing(InputWorkspace="Vanadium_corr", OutputWorkspace="Vanadium_foc", GroupingFileName=GrpFile,
PreserveEvents=False)
- print " => VANADIUM FOCUSED"
+ print(" => VANADIUM FOCUSED")
ReplaceSpecialValues(InputWorkspace="Vanadium_foc", OutputWorkspace="Vanadium", NaNValue="0", InfinityValue="0",
BigNumberThreshold="99999999.99999999")
SaveNexusProcessed(Filename=EXPR_FILE.CorrVanFile + "_unstripped.nxs", InputWorkspace="Vanadium")
@@ -75,14 +76,14 @@ def create_vana(EXPR_FILE, NoAbs=False, write_existingv=True):
def strip_the_vana(EXPR_FILE, LoadUnstrip=""):
if LoadUnstrip:
LoadNexusProcessed(Filename=LoadUnstrip, OutputWorkspace="Vanadium", EntryNumber=1)
- print EXPR_FILE.bankList
+ print(EXPR_FILE.bankList)
cry_load.split_bank("Vanadium", bankList=EXPR_FILE.bankList, Del=True)
if EXPR_FILE.VanPeakRemove == "interpol":
- print " => Van Bragg-peak stripping"
- print "Smmoth Vana data with " + EXPR_FILE.VanSmooth + " points"
+ print(" => Van Bragg-peak stripping")
+ print("Smmoth Vana data with " + EXPR_FILE.VanSmooth + " points")
remove_bins(EXPR_FILE)
elif EXPR_FILE.VanPeakRemove == "strip":
- print " => Van Bragg-peak stripping"
+ print(" => Van Bragg-peak stripping")
van_strip(EXPR_FILE)
elif EXPR_FILE.VanPeakRemove == "spline":
van_spline(EXPR_FILE)
@@ -105,7 +106,7 @@ def remove_bins(EXPR_FILE):
spec = i - 1
SmoothData(InputWorkspace="Vanadium-" + str(i), OutputWorkspace="Vanadium-" + str(i),
NPoints=int(EXPR_FILE.VanSmooth))
- print "Strip Vanapeak in bank=" + str(i)
+ print("Strip Vanapeak in bank=" + str(i))
for peak in EXPR_FILE.VanPeakList[spec]:
RemoveBins(InputWorkspace="Vanadium-" + str(i), OutputWorkspace="Vanadium-" + str(i), XMin=peak[0],
XMax=peak[1], RangeUnit="AsInput", Interpolation="Linear", WorkspaceIndex=0)
@@ -117,8 +118,8 @@ def van_strip(EXPR_FILE):
for i in EXPR_FILE.bankList:
spec = i - 1
if EXPR_FILE.VanPeakWdt[spec] != 0:
- print "Strip Vanapeaks with params : bank=" + str(i) + " FWHM=" + str(
- EXPR_FILE.VanPeakWdt[spec]) + " Tol=" + str(EXPR_FILE.VanPeakTol[spec])
+ print("Strip Vanapeaks with params : bank=" + str(i) + " FWHM=" + str(
+ EXPR_FILE.VanPeakWdt[spec]) + " Tol=" + str(EXPR_FILE.VanPeakTol[spec]))
StripPeaks(InputWorkspace="Vanadium-" + str(i), OutputWorkspace="Vanadium-" + str(i),
FWHM=EXPR_FILE.VanPeakWdt[spec], Tolerance=EXPR_FILE.VanPeakTol[spec], WorkspaceIndex=0)
SaveFocusedXYE(Filename=EXPR_FILE.CorrVanFile + "-" + str(spec) + "_.dat", InputWorkspace="Vanadium-" + str(i),
@@ -128,7 +129,7 @@ def van_strip(EXPR_FILE):
def van_spline(EXPR_FILE):
for i in EXPR_FILE.bankList:
spec = i - 1
- print "Strip Vanapeak in bank=" + str(i)
+ print("Strip Vanapeak in bank=" + str(i))
for peak in EXPR_FILE.VanPeakList[spec]:
MaskBins(InputWorkspace="Vanadium-" + str(i), OutputWorkspace="Vanadium-" + str(i), XMin=peak[0],
XMax=peak[1])
diff --git a/scripts/CrystalTools/PeakReport.py b/scripts/CrystalTools/PeakReport.py
index 737faddd74483723f555deddc20e9d45faef991a..3f5948da0ef81c9eda51d403bf7080ecedbe80b7 100644
--- a/scripts/CrystalTools/PeakReport.py
+++ b/scripts/CrystalTools/PeakReport.py
@@ -2,6 +2,7 @@
"""
This is a module for creating peak integration reports.
"""
+from __future__ import (absolute_import, division, print_function)
import os
import mantid.api
from mantidplot import plotSlice
diff --git a/scripts/HFIR_4Circle_Reduction/peakprocesshelper.py b/scripts/HFIR_4Circle_Reduction/peakprocesshelper.py
index 8af4c2f98cd67567c65b6e9a8d1879f5400a09d7..c35242b3627d25d1b0bb1eacd947b2ef477dda8a 100644
--- a/scripts/HFIR_4Circle_Reduction/peakprocesshelper.py
+++ b/scripts/HFIR_4Circle_Reduction/peakprocesshelper.py
@@ -52,8 +52,9 @@ class PeakProcessRecord(object):
return
- def calculate_peak_center(self):
+ def calculate_peak_center(self, allow_bad_monitor=True):
""" Calculate peak's center by averaging the peaks found and stored in PeakWorkspace
+ :param allow_bad_monitor: if specified as True, then a bad monitor (zero) is allowed and set the value to 1.
:return:
"""
# Go through the peak workspaces to calculate peak center with weight (monitor and counts)
@@ -88,12 +89,16 @@ class PeakProcessRecord(object):
det_counts = spice_table_ws.cell(row_index, det_col_index)
monitor_counts = spice_table_ws.cell(row_index, monitor_col_index)
if monitor_counts < 1.:
- # skip zero-count
- continue
+ # bad monitor counts
+ if allow_bad_monitor:
+ monitor_counts = 1
+ else:
+ continue
# convert q sample from V3D to ndarray
q_i = peak_i.getQSampleFrame()
q_array = numpy.array([q_i.X(), q_i.Y(), q_i.Z()])
# calculate weight
+ print '[DB] Peak {0}: detector counts = {1}, Monitor counts = {2}.'.format(i_peak, det_counts, monitor_counts)
weight_i = float(det_counts)/float(monitor_counts)
# contribute to total
weight_sum += weight_i
@@ -102,7 +107,11 @@ class PeakProcessRecord(object):
peak_i.setIntensity(det_counts)
# END-FOR (i_peak)
- self._avgPeakCenter = q_sample_sum/weight_sum
+ try:
+ print '[DB] calculate value error: sum(Q-sample) = {0}, sum(weight) = {1}.'.format(q_sample_sum, weight_sum)
+ self._avgPeakCenter = q_sample_sum/weight_sum
+ except Exception as e:
+ raise RuntimeError('Unable to calculate average peak center due to value error as {0}.'.format(e))
return
diff --git a/scripts/HFIR_4Circle_Reduction/reduce4circleControl.py b/scripts/HFIR_4Circle_Reduction/reduce4circleControl.py
index f3c4afd44e3514186432b1160048e7e785205d97..998e74ac3ec2a3f19ccd7270b96007e807dccfe2 100644
--- a/scripts/HFIR_4Circle_Reduction/reduce4circleControl.py
+++ b/scripts/HFIR_4Circle_Reduction/reduce4circleControl.py
@@ -10,6 +10,7 @@
################################################################################
import csv
import random
+import os
from fourcircle_utility import *
from peakprocesshelper import PeakProcessRecord
@@ -24,8 +25,9 @@ from mantid.kernel import V3D
DebugMode = True
-DET_X_SIZE = 256
-DET_Y_SIZE = 256
+# TODO - changed without configuration
+DET_X_SIZE = 512
+DET_Y_SIZE = 512
MAX_SCAN_NUMBER = 100000
@@ -748,6 +750,7 @@ class CWSCDReductionControl(object):
raw_ws = self.get_raw_data_workspace(exp_no, scan_no, pt_no)
if raw_ws is None:
return False, 'Raw data for Exp %d Scan %d Pt %d is not loaded.' % (exp_no, scan_no, pt_no)
+ print '[DB...BAT] Raw workspace size: ', raw_ws.getNumberHistograms()
# Convert to numpy array
array2d = numpy.ndarray(shape=(DET_X_SIZE, DET_Y_SIZE), dtype='float')
@@ -1472,17 +1475,23 @@ class CWSCDReductionControl(object):
# load SPICE Pt. detector file
pt_ws_name = get_raw_data_workspace_name(exp_no, scan_no, pt_no)
+ # new_idf_name = '/home/wzz/Projects/HB3A/NewDetector/HB3A_ND_Definition.xml'
+ new_idf_name = '/SNS/users/wzz/Projects/HB3A/HB3A_ND_Definition.xml'
+ if os.path.exists(new_idf_name) is False:
+ raise RuntimeError('Instrument file {0} cannot be found!'.format(new_idf_name))
try:
mantidsimple.LoadSpiceXML2DDet(Filename=xml_file_name,
OutputWorkspace=pt_ws_name,
- DetectorGeometry='256,256',
+ # FIXME - Need UI input
+ DetectorGeometry='512,512',
+ InstrumentFilename=new_idf_name,
SpiceTableWorkspace=spice_table_name,
PtNumber=pt_no)
except RuntimeError as run_err:
return False, str(run_err)
# Add data storage
- assert AnalysisDataService.doesExist(pt_ws_name)
+ assert AnalysisDataService.doesExist(pt_ws_name), 'blabla'
raw_matrix_ws = AnalysisDataService.retrieve(pt_ws_name)
self._add_raw_workspace(exp_no, scan_no, pt_no, raw_matrix_ws)
@@ -1510,9 +1519,27 @@ class CWSCDReductionControl(object):
# get the workspace
ws_name_list = ''
for i_ws, ws_name in enumerate(scan_md_ws_list):
+ # build the input MDWorkspace list
if i_ws != 0:
ws_name_list += ', '
ws_name_list += ws_name
+
+ # rebin the MDEventWorkspace to make all MDEventWorkspace have same MDGrid
+ md_ws = AnalysisDataService.retrieve(ws_name)
+ frame = md_ws.getDimension(0).getMDFrame().name()
+
+ if frame == 'HKL':
+ mantidsimple.SliceMD(InputWorkspace=ws_name,
+ AlignedDim0='H,-10,10,1',
+ AlignedDim1='K,-10,10,1',
+ AlignedDim2='L,-10,10,1',
+ OutputWorkspace=ws_name)
+ else:
+ mantidsimple.SliceMD(InputWorkspace=ws_name,
+ AlignedDim0='Q_sample_x,-10,10,1',
+ AlignedDim1='Q_sample_y,-10,10,1',
+ AlignedDim2='Q_sample_z,-10,10,1',
+ OutputWorkspace=ws_name)
# END-FOR
# merge
@@ -1693,6 +1720,13 @@ class CWSCDReductionControl(object):
if exp_no in self._userWavelengthDict:
alg_args['UserDefinedWavelength'] = self._userWavelengthDict[exp_no]
+ # TODO/FIXME/NOW - Should get a flexible way to define IDF or no IDF
+ # new_idf_name = '/home/wzz/Projects/HB3A/NewDetector/HB3A_ND_Definition.xml'
+ new_idf_name = '/SNS/users/wzz/Projects/HB3A/HB3A_ND_Definition.xml'
+ if os.path.exists(new_idf_name) is False:
+ raise RuntimeError('Instrument file {0} cannot be found!'.format(new_idf_name))
+ alg_args['InstrumentFilename'] = new_idf_name
+
# call:
mantidsimple.ConvertCWSDExpToMomentum(**alg_args)
diff --git a/scripts/HFIR_4Circle_Reduction/reduce4circleGUI.py b/scripts/HFIR_4Circle_Reduction/reduce4circleGUI.py
index d7769b0f6341425c8216137d0b25f03bc80ddf83..87709d85f007ed6b9a26b1db984fb43bb2cbe55c 100644
--- a/scripts/HFIR_4Circle_Reduction/reduce4circleGUI.py
+++ b/scripts/HFIR_4Circle_Reduction/reduce4circleGUI.py
@@ -3417,7 +3417,8 @@ class MainWindow(QtGui.QMainWindow):
raw_det_data = self._myControl.get_raw_detector_counts(exp_no, scan_no, pt_no)
# raw_det_data = numpy.rot90(raw_det_data, 1)
self.ui.graphicsView_detector2dPlot.clear_canvas()
- self.ui.graphicsView_detector2dPlot.add_plot_2d(raw_det_data, x_min=0, x_max=256, y_min=0, y_max=256,
+ # TODO/FIXME - changed to 512 from 256 as prototype. Should be via configuration
+ self.ui.graphicsView_detector2dPlot.add_plot_2d(raw_det_data, x_min=0, x_max=512, y_min=0, y_max=512,
hold_prev_image=False)
status, roi = self._myControl.get_region_of_interest(exp_no, scan_number=None)
if status:
diff --git a/scripts/Inelastic/CrystalField/fitting.py b/scripts/Inelastic/CrystalField/fitting.py
index 249debea849c236a429498f68522fa1dd3b64359..99d37f2799514a017c6fdac467ddbbcd71b11e60 100644
--- a/scripts/Inelastic/CrystalField/fitting.py
+++ b/scripts/Inelastic/CrystalField/fitting.py
@@ -114,7 +114,7 @@ class CrystalField(object):
See the Crystal Field Python Interface help page for more details.
"""
from .function import PeaksFunction
- self._ion = Ion
+ self.Ion = Ion
self._symmetry = Symmetry
self._toleranceEnergy = 1e-10
self._toleranceIntensity = 1e-1
@@ -397,7 +397,16 @@ class CrystalField(object):
if value not in self.ion_nre_map.keys():
msg = 'Value %s is not allowed for attribute Ion.\nList of allowed values: %s' %\
(value, ', '.join(list(self.ion_nre_map.keys())))
- raise RuntimeError(msg)
+ arbitraryJ = re.match('[SJsj]([0-9\.]+)', value)
+ if arbitraryJ and (float(arbitraryJ.group(1)) % 0.5) == 0:
+ value = arbitraryJ.group(0)
+ self._nre = int(-float(arbitraryJ.group(1)) * 2.)
+ if self._nre < -99:
+ raise RuntimeError('J value ' + str(-self._nre / 2) + ' is too large.')
+ else:
+ raise RuntimeError(msg+', S<n>, J<n>')
+ else:
+ self._nre = self.ion_nre_map[value]
self._ion = value
self._dirty_eigensystem = True
self._dirty_peaks = True
@@ -1092,8 +1101,9 @@ class CrystalField(object):
"""
if self._dirty_eigensystem:
import CrystalField.energies as energies
- nre = self.ion_nre_map[self._ion]
- self._eigenvalues, self._eigenvectors, self._hamiltonian = energies.energies(nre, **self._fieldParameters)
+ if self._nre < -99:
+ raise RuntimeError('J value ' + str(-self._nre / 2) + ' is too large.')
+ self._eigenvalues, self._eigenvectors, self._hamiltonian = energies.energies(self._nre, **self._fieldParameters)
self._dirty_eigensystem = False
def _calcPeaksList(self, i):
diff --git a/scripts/Inelastic/IndirectReductionCommon.py b/scripts/Inelastic/IndirectReductionCommon.py
index ef51a0eeb388705661aa8365f0e0680d783de570..84ce8f7e568571ddb5120dfeb084b96c5a5defac 100644
--- a/scripts/Inelastic/IndirectReductionCommon.py
+++ b/scripts/Inelastic/IndirectReductionCommon.py
@@ -37,8 +37,8 @@ def load_files(data_files, ipf_filename, spec_min, spec_max, sum_files=False, lo
logger.debug('Loading file %s as workspace %s' % (filename, ws_name))
if 'VESUVIO' in ipf_filename:
- evs_filename = os.path.basename(str(filename)).replace('EVS', '')
- LoadVesuvio(Filename=evs_filename,
+ # Load all spectra. They are cropped later
+ LoadVesuvio(Filename=str(filename),
OutputWorkspace=ws_name,
SpectrumList='1-198',
**load_opts)
diff --git a/scripts/Interface/reduction_gui/instruments/interface.py b/scripts/Interface/reduction_gui/instruments/interface.py
index 6e1be59a92a53a08e8fa01c62757b57a53b3c7ae..bc51f2126596ca3284a3a9b9394954e0956f2a12 100644
--- a/scripts/Interface/reduction_gui/instruments/interface.py
+++ b/scripts/Interface/reduction_gui/instruments/interface.py
@@ -236,7 +236,7 @@ class InstrumentInterface(object):
f = open(log_path, 'w')
reduction = self.scripter.to_xml()
f.write("<Report>\n")
- f.write(reduction)
+ f.write(str(reduction))
f.write("<ErrorReport>")
f.write(trace)
f.write("</ErrorReport>")
diff --git a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
index 550029e89879f600d0a87e31415e914ef2095c4d..a29673d2c40245cfd5b35388563429d91362247a 100644
--- a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
+++ b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
@@ -251,6 +251,8 @@ class DiffractionReductionScripter(BaseReductionScripter):
"""
runnumbers_str = str(runsetupdict["RunNumber"])
+ if runnumbers_str.count(':') > 0:
+ runnumbers_str = runnumbers_str.replace(':', '-')
runnumbers_str = FileFinder.findRuns(self.instrument_name + runnumbers_str)
runnumbers_str = [os.path.split(filename)[-1] for filename in runnumbers_str]
diff --git a/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_run_setup.py b/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_run_setup.py
index 461db0b6b959d27f274a33161327d8153ea0ce4f..0fb0765c68d6f1d1341b8c40e764f6165a7b9207 100644
--- a/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_run_setup.py
+++ b/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_run_setup.py
@@ -173,7 +173,7 @@ class RunSetupWidget(BaseWidget):
@param state: RunSetupScript object
"""
self._content.runnumbers_edit.setText(state.runnumbers)
- self._content.runnumbers_edit.setValidator(generateRegExpValidator(self._content.runnumbers_edit, r'[\d,-]*'))
+ self._content.runnumbers_edit.setValidator(generateRegExpValidator(self._content.runnumbers_edit, r'[\d,-:]*'))
self._content.calfile_edit.setText(state.calibfilename)
self._content.lineEdit_expIniFile.setText(state.exp_ini_file_name)
@@ -246,11 +246,14 @@ class RunSetupWidget(BaseWidget):
"""
s = RunSetupScript(self._instrument_name)
- s.runnumbers = self._content.runnumbers_edit.text()
+ s.runnumbers = str(self._content.runnumbers_edit.text())
rtup = self.validateIntegerList(s.runnumbers)
isvalid = rtup[0]
if isvalid is False:
raise NotImplementedError("Run number error @ %s" % (rtup[1]))
+ else:
+ # s.runnumbers = rtup[2]
+ pass
s.calibfilename = self._content.calfile_edit.text()
s.exp_ini_file_name = str(self._content.lineEdit_expIniFile.text())
@@ -374,11 +377,16 @@ class RunSetupWidget(BaseWidget):
def validateIntegerList(self, intliststring):
""" Validate whether the string can be divided into integer strings.
- Allowed: a, b, c-d, e, f
+ Allowed: a, b, c-d, e, f, g:h
+ and replace ':' by ':'
+ :return: 3-tuple: state/error message/new integer list string
"""
intliststring = str(intliststring)
if intliststring == "":
- return (True, "")
+ return True, "", intliststring
+
+ # replace ':' by '-'
+ intliststring = intliststring.replace(':', '-')
# 1. Split by ","
termlevel0s = intliststring.split(",")
@@ -392,9 +400,11 @@ class RunSetupWidget(BaseWidget):
try:
intvalue = int(valuestr)
if str(intvalue) != valuestr:
- return (False, valuestr)
+ err_msg = 'String {0} cannot be converted to an integer properly.'.format(valuestr)
+ return False, err_msg, ''
except ValueError:
- return (False, valuestr)
+ err_msg = 'String {0} cannot be converted to an integer.'.format(valuestr)
+ return False, err_msg, ''
elif numdashes == 1:
# Integer range
@@ -409,10 +419,10 @@ class RunSetupWidget(BaseWidget):
# ENDFOR
else:
- return (False, level0term)
+ return False, level0term, intliststring
# ENDFOR
- return (True, "")
+ return True, '', intliststring
def _overrideemptyrun_clicked(self):
""" Handling event if overriding emptry run
diff --git a/scripts/LargeScaleStructures/EQSANS_geometry.py b/scripts/LargeScaleStructures/EQSANS_geometry.py
index 924de31a7c314a1d1343dd6afd91505b401f8014..6fa66d28aa8cd7cf1b52dc415719bda5007213a9 100644
--- a/scripts/LargeScaleStructures/EQSANS_geometry.py
+++ b/scripts/LargeScaleStructures/EQSANS_geometry.py
@@ -1,5 +1,6 @@
#pylint: disable=invalid-name
-from geometry_writer import MantidGeom
+from __future__ import (absolute_import, division, print_function)
+from .geometry_writer import MantidGeom
import math
RADIUS = 5.0
diff --git a/scripts/LargeScaleStructures/PolrefTest.py b/scripts/LargeScaleStructures/PolrefTest.py
index 45da391ba81e985a85337c0ca95e71df726a3b63..b319e4db193bb37684f165e9494176621cde87f2 100644
--- a/scripts/LargeScaleStructures/PolrefTest.py
+++ b/scripts/LargeScaleStructures/PolrefTest.py
@@ -1,5 +1,6 @@
-from ReflectometerCors import *
+from __future__ import (absolute_import, division, print_function)
+from .ReflectometerCors import *
def quick(run):
diff --git a/scripts/LargeScaleStructures/REF_L_geometry.py b/scripts/LargeScaleStructures/REF_L_geometry.py
index 1760ced42023eddafde54dc9ac16f065cb95aa24..8d180316e273c59f84844b8113cdb1cdace8ddfd 100644
--- a/scripts/LargeScaleStructures/REF_L_geometry.py
+++ b/scripts/LargeScaleStructures/REF_L_geometry.py
@@ -1,5 +1,6 @@
#pylint: disable=invalid-name
-from geometry_writer import MantidGeom
+from __future__ import (absolute_import, division, print_function)
+from .geometry_writer import MantidGeom
NUM_PIXELS_PER_TUBE = 304
NUM_TUBES = 256
diff --git a/scripts/LargeScaleStructures/ReflectometerCors.py b/scripts/LargeScaleStructures/ReflectometerCors.py
index f1e57514520217d4dd54dc7cd4a29a5f6a6d5ee4..75f4245175b590833e08aef23811597807cf5d58 100644
--- a/scripts/LargeScaleStructures/ReflectometerCors.py
+++ b/scripts/LargeScaleStructures/ReflectometerCors.py
@@ -1,4 +1,5 @@
#pylint: disable=invalid-name
+from __future__ import (absolute_import, division, print_function)
from mantid.simpleapi import *
@@ -60,7 +61,7 @@ def main():
ConvertUnits(InputWorkspace="ws",OutputWorkspace="ws",Target="Wavelength",AlignBins="1")
heliumDetectorEff("ws")
monitor2Eff("ws")
- print "Done!"
+ print("Done!")
if __name__ == '__main__':
diff --git a/scripts/LargeScaleStructures/ScalingFactorCalculation/sfCalculator.py b/scripts/LargeScaleStructures/ScalingFactorCalculation/sfCalculator.py
index fca048ea6cb98d0456722182b3fda89d7b6c3f8e..c40a9b791a8293156090a7a031c231293d6c978e 100644
--- a/scripts/LargeScaleStructures/ScalingFactorCalculation/sfCalculator.py
+++ b/scripts/LargeScaleStructures/ScalingFactorCalculation/sfCalculator.py
@@ -1,3 +1,4 @@
+from __future__ import (absolute_import, division, print_function)
from mantid import *
from mantid.simpleapi import *
from numpy import zeros
@@ -62,7 +63,7 @@ class sfCalculator():
def __init__(self, numerator=None, denominator=None,
tof_range=None):
- print '---> initialize calculation'
+ print('---> initialize calculation')
if (tof_range is None):
self.tof_min = 10000
@@ -80,7 +81,7 @@ class sfCalculator():
def setNumerator(self, minPeak, maxPeak, minBack, maxBack):
- print '---> set numerator (' + self.numerator + ')'
+ print('---> set numerator (' + self.numerator + ')')
if minPeak != 0:
self.n_peak_pixel_min = minPeak
@@ -93,7 +94,7 @@ class sfCalculator():
def setDenominator(self, minPeak, maxPeak, minBack, maxBack):
- print '---> set denominator (' + self.denominator + ')'
+ print('---> set denominator (' + self.denominator + ')')
if minPeak != 0:
self.d_peak_pixel_min = minPeak
@@ -420,8 +421,8 @@ def isWithinRange(value1, value2):
This function checks if the two values and return true if their
difference is <= PRECISION
"""
- print 'value1: ' + str(value1)
- print 'value2: ' + str(value2)
+ print('value1: ' + str(value1))
+ print('value2: ' + str(value2))
diff = abs(float(value1)) - abs(float(value2))
if abs(diff) <= PRECISION:
@@ -663,10 +664,10 @@ def getSlitsValueAndLambda(full_list_runs,
lambda requested values
"""
_nbr_files = len(full_list_runs)
- print '> Retrieving Slits and Lambda Requested for each file:'
+ print('> Retrieving Slits and Lambda Requested for each file:')
for i in range(_nbr_files):
_full_file_name = full_list_runs[i]
- print '-> ' + _full_file_name
+ print('-> ' + _full_file_name)
LoadEventNexus(Filename=_full_file_name,
OutputWorkspace='tmpWks',
MetaDataOnly='1')
@@ -715,7 +716,7 @@ def calculateAndFit(numerator='',
list_objects=[],
tof_range=None):
- print '--> running calculate and fit algorithm'
+ print('--> running calculate and fit algorithm')
cal1 = sfCalculator(numerator=numerator,
denominator=denominator,
@@ -747,11 +748,11 @@ def help():
Here the user will have information about how the command line
works
"""
- print 'sfCalculator help:'
- print
- print 'example:'
- print ' > sfCalculator.calculate(string_runs="55889:0, 55890:1, 55891:1, 55892:2",'
- print ' list_'
+ print('sfCalculator help:')
+ print()
+ print('example:')
+ print(' > sfCalculator.calculate(string_runs="55889:0, 55890:1, 55891:1, 55892:2",')
+ print(' list_')
#if __name__ == '__main__':
@@ -889,7 +890,7 @@ def calculate(string_runs=None,
for i in range(len(list_runs)):
- print '> Working with index: ' + str(i)
+ print('> Working with index: ' + str(i))
_attenuator = list_attenuator[i]
if _attenuator == 0:
@@ -903,8 +904,8 @@ def calculate(string_runs=None,
index_numerator = i
index_denominator = _index_first_A[_attenuator]
- print '-> numerator : ' + str(list_runs[index_numerator])
- print '-> denominator: ' + str(list_runs[index_denominator])
+ print('-> numerator : ' + str(list_runs[index_numerator]))
+ print('-> denominator: ' + str(list_runs[index_denominator]))
cal = calculateAndFit(numerator=list_runs[index_numerator],
denominator=list_runs[index_denominator],
list_peak_back_numerator=list_peak_back[index_numerator],
@@ -942,7 +943,7 @@ def calculate(string_runs=None,
finalS1W, finalS2W,
output_file_name)
- print 'Done !'
+ print('Done !')
else:
"""
diff --git a/scripts/LargeScaleStructures/data_stitching.py b/scripts/LargeScaleStructures/data_stitching.py
index 0d8543e10ac8782a3cff91b21ac2d8bd0cec4497..25f15353e83ebc592ccd8ec5a6b43731e7437979 100644
--- a/scripts/LargeScaleStructures/data_stitching.py
+++ b/scripts/LargeScaleStructures/data_stitching.py
@@ -2,6 +2,7 @@
"""
Data stitching for SANS and reflectometry
"""
+from __future__ import (absolute_import, division, print_function)
import os
from mantid.simpleapi import *
from mantid.kernel import Logger
@@ -42,7 +43,7 @@ class RangeSelector(object):
log_scale=False,
ws_output_base=None):
if not IS_IN_MANTIDPLOT:
- print "RangeSelector cannot be used output MantidPlot"
+ print("RangeSelector cannot be used output MantidPlot")
return
self._call_back = call_back
diff --git a/scripts/LargeScaleStructures/geometry_writer.py b/scripts/LargeScaleStructures/geometry_writer.py
index 632e8d4c13e182dccec6b211d1c438cf2a6f3bc2..0736201be5404093ac2232276f95515b601c1a27 100644
--- a/scripts/LargeScaleStructures/geometry_writer.py
+++ b/scripts/LargeScaleStructures/geometry_writer.py
@@ -1,4 +1,5 @@
# pylint: disable=invalid-name
+from __future__ import (absolute_import, division, print_function)
from xml.dom.minidom import getDOMImplementation
from datetime import datetime
import re
@@ -38,7 +39,7 @@ class MantidGeom(object):
"""
Print the XML geometry to the screen
"""
- print self
+ print(self)
def addSnsDefaults(self):
"""
@@ -82,8 +83,8 @@ class MantidGeom(object):
if distance > 0:
distance *= -1.0
self._append_child("location", source, z=distance)
- except (StandardError, StopIteration, Warning):
- print "PROBLEM with addModerator"
+ except (Exception, StopIteration, Warning):
+ print("PROBLEM with addModerator")
child = self._append_child("type", self._root, name="moderator")
child.setAttribute("is", "Source")
diff --git a/scripts/PyChop/Chop.py b/scripts/PyChop/Chop.py
index a6a03f9f1df19d4f0362cb95659850b862ed0b8d..132e89cb8e11f5885f9da71285fcfe71a8068715 100644
--- a/scripts/PyChop/Chop.py
+++ b/scripts/PyChop/Chop.py
@@ -17,6 +17,7 @@ technical reports:
http://www.neutronresearch.com/parch/1993/01/199301013280.pdf
"""
+from __future__ import (absolute_import, division, print_function)
import numpy as np
# ------------------------------------------------------------------------------------------------- #
diff --git a/scripts/PyChop/ISISDisk.py b/scripts/PyChop/ISISDisk.py
index 7e2b63a5a68a1c981cbb1206d9c19efabace92a5..83abb3fc926a44a98f3dc93afd3bbeb79f2af16a 100644
--- a/scripts/PyChop/ISISDisk.py
+++ b/scripts/PyChop/ISISDisk.py
@@ -6,6 +6,7 @@ Contains the ISISDisk class which calculates resolution and flux for ISIS Disk c
spectrometer (LET) - using the functions in MulpyRep and additional tables of instrument parameters
"""
+from __future__ import (absolute_import, division, print_function)
import numpy as np
from . import MulpyRep
from .ISISFermi import ISISFermi
@@ -201,9 +202,9 @@ class ISISDisk:
chop_width = np.array(chop_width) * (self.samp_det + self.chop_samp + lastChopDist) / lastChopDist
mod_width = np.array(mod_width) * (self.chop_samp + self.samp_det) / lastChopDist
if len(ie_list) == 1:
- chop_width = chop_width[ie_list]
- mod_width = mod_width[ie_list]
- res_el = res_el[int(ie_list)]
+ chop_width = chop_width[ie_list[0]]
+ mod_width = mod_width[ie_list[0]]
+ res_el = res_el[ie_list[0]]
return Eis, res_list, res_el, percent, ie_list, chop_width, mod_width
def getElasticResolution(self, Ei_in=None, frequency=None):
diff --git a/scripts/PyChop/ISISFermi.py b/scripts/PyChop/ISISFermi.py
index 811e26e9b04306be79244455cbddd3226accfd6e..2ded2a3a3cf2d86ec0b5edb7afc81f8914f15930 100644
--- a/scripts/PyChop/ISISFermi.py
+++ b/scripts/PyChop/ISISFermi.py
@@ -7,6 +7,7 @@ Contains the ISISFermi class which calculates the resolution and flux for ISIS F
spectrometers (MAPS, MARI, MERLIN) - using the functions in Chop.py and addition lookup tables.
"""
+from __future__ import (absolute_import, division, print_function)
import numpy as np
from . import Chop
from scipy.interpolate import interp1d
diff --git a/scripts/PyChop/MulpyRep.py b/scripts/PyChop/MulpyRep.py
index 46eac3d0214e5aedd89e8a0cc217e94fd1761ef1..d0de536f10455e4e752cc95a3dc7299330df8338 100644
--- a/scripts/PyChop/MulpyRep.py
+++ b/scripts/PyChop/MulpyRep.py
@@ -6,6 +6,7 @@ Contains a class to calculate the possible reps, resolution and flux for a direc
spectrometer. Python implementation by D J Voneshen based on the original Matlab program of R I Bewley.
"""
+from __future__ import (absolute_import, division, print_function)
import numpy as np
import copy
diff --git a/scripts/PyChop/PyChop2.py b/scripts/PyChop/PyChop2.py
index 9aed5a9a944f466e5e22addf57719e8a9a3bb761..ab85da423d516d61ef75f1cdfc64cbe54785ba8b 100644
--- a/scripts/PyChop/PyChop2.py
+++ b/scripts/PyChop/PyChop2.py
@@ -5,6 +5,7 @@ This module contains the PyChop2 class which allows calculation of the resolutio
direct geometry time-of-flight inelastic neutron spectrometers.
"""
+from __future__ import (absolute_import, division, print_function)
from .ISISFermi import ISISFermi
from .ISISDisk import ISISDisk
diff --git a/scripts/PyChop/PyChopGui.py b/scripts/PyChop/PyChopGui.py
index 78250cd118636bc25b0c117c9bd6199f4c0f18bb..d16af3fa8a8961990031c4da99fbca3330a73781 100755
--- a/scripts/PyChop/PyChopGui.py
+++ b/scripts/PyChop/PyChopGui.py
@@ -8,6 +8,7 @@
This module contains a class to create a graphical user interface for PyChop.
"""
+from __future__ import (absolute_import, division, print_function)
import sys
import re
import numpy as np
diff --git a/scripts/PyChop/__init__.py b/scripts/PyChop/__init__.py
index 557d8b69d6be81ce411679ca64b29f0aa01b1896..b3936841a8c3d989cd22df1b27cde04ea2cb83f0 100644
--- a/scripts/PyChop/__init__.py
+++ b/scripts/PyChop/__init__.py
@@ -17,6 +17,7 @@ resolution, flux = PyChop2.calculate(inst='maps', chtyp='a', freq=500, ei=600, e
PyChop2.showGUI()
"""
+from __future__ import (absolute_import, division, print_function)
import warnings
from .PyChop2 import PyChop2
# If the system doesn't have matplotlib, don't import the GUI.
diff --git a/scripts/SANS/SANSBatchMode.py b/scripts/SANS/SANSBatchMode.py
index 73bf446f154dbb983e51070f79628f8dd7e97148..ab0ab26821c34ea2a47016c5a47f1823df563aa7 100644
--- a/scripts/SANS/SANSBatchMode.py
+++ b/scripts/SANS/SANSBatchMode.py
@@ -140,6 +140,44 @@ def get_transmission_properties(workspace):
return transmission_properties
+def get_geometry_properties(reducer):
+ """
+ This extracts geometry properties from the ReductionSingleton. They are saved in the CanSAS1D format.
+
+ @param reducer: a handle to the redcution singleton
+ @return: a dict with geometry properties
+ """
+ def _add_property(key, element, props):
+ if element is None:
+ raise RuntimeError("Could not extract value for {0}.".format(key))
+ props.update({key: element})
+
+ geometry_properties = {}
+ geometry = reducer.get_sample().geometry
+
+ # Get the shape
+ shape = geometry.shape
+ if shape == 'cylinder-axis-up':
+ shape_to_save = "Cylinder"
+ elif shape == 'cuboid':
+ shape_to_save = "Flat plate"
+ elif shape == 'cylinder-axis-along':
+ shape_to_save = 'Disc'
+ else:
+ raise RuntimeError("Unknown shape {0}. Cannot extract property".format(shape))
+ geometry_properties.update({"Geometry": shape_to_save})
+
+ # Get the Height
+ _add_property("SampleHeight", geometry.height, geometry_properties)
+
+ # Get the Width
+ _add_property("SampleWidth", geometry.width, geometry_properties)
+
+ # Get the thickness
+ _add_property("SampleThickness", geometry.thickness, geometry_properties)
+ return geometry_properties
+
+
def BatchReduce(filename, format, plotresults=False, saveAlgs={'SaveRKH':'txt'},verbose=False,
centreit=False, reducer=None, combineDet=None, save_as_zero_error_free=False):
"""
@@ -197,14 +235,21 @@ def BatchReduce(filename, format, plotresults=False, saveAlgs={'SaveRKH':'txt'},
original_user_file=original_user_file,
original_settings = settings,
original_prop_man_settings = prop_man_settings)
- except (RunTimeError, ValueError) as e:
+ # When we set a new user file, that means that the combineDet feature could be invalid,
+ # ie if the detector under investigation changed in the user file. We need to change this
+ # here too. But only if it is not None.
+ if combineDet is not None:
+ new_combineDet = ReductionSingleton().instrument.get_detector_selection()
+ combineDet = su.get_correct_combinDet_setting(ins_name, new_combineDet)
+ except (RuntimeError, ValueError) as e:
sanslog.warning("Error in Batchmode user files: Could not reset the specified user file %s. More info: %s" %(
- str(run['user_file']),str(e)))
+ str(run['user_file']), str(e)))
local_settings = copy.deepcopy(ReductionSingleton().reference())
local_prop_man_settings = ReductionSingleton().settings.clone("TEMP_SETTINGS")
raw_workspaces = []
+ geometry_properties = {}
try:
# Load in the sample runs specified in the csv file
raw_workspaces.append(read_run(run, 'sample_sans', format))
@@ -222,6 +267,12 @@ def BatchReduce(filename, format, plotresults=False, saveAlgs={'SaveRKH':'txt'},
if verbose == 1:
FindBeamCentre(50.,170.,12)
+ try:
+ geometry_properties = get_geometry_properties(ReductionSingleton())
+ except RuntimeError as e:
+ message = "Could not extract geometry properties from the reducer: {0}".format(str(e))
+ sanslog.warning(message)
+
# WavRangeReduction runs the reduction for the specified
# wavelength range where the final argument can either be
# DefaultTrans or CalcTrans:
@@ -254,34 +305,42 @@ def BatchReduce(filename, format, plotresults=False, saveAlgs={'SaveRKH':'txt'},
final_name = sanitize_name(final_name)
#convert the names from the default one, to the agreement
+ # This caused a renaming with the following logic
+ # | combinDet | Name HAB | Name LAB | Name Merged |
+ # | rear | +_rear | - | - |
+ # | front | - | +_front | - |
+ # | both | +_rear | +_front | - |
+ # | merged | +_rear | +_front | +_merged |
+ # This is not great since it uses SANS2D terminology for all instruments
+
names = [final_name]
if combineDet == 'rear':
- names = [final_name+'_rear']
- RenameWorkspace(InputWorkspace=reduced,OutputWorkspace= final_name+'_rear')
+ new_name = su.rename_workspace_correctly(ins_name, su.ReducedType.LAB, final_name, reduced)
+ names = [new_name]
elif combineDet == 'front':
- names = [final_name+'_front']
- RenameWorkspace(InputWorkspace=reduced,OutputWorkspace= final_name+'_front')
+ new_name = su.rename_workspace_correctly(ins_name, su.ReducedType.HAB, final_name, reduced)
+ names = [new_name]
elif combineDet == 'both':
- names = [final_name+'_front', final_name+'_rear']
if ins_name == 'SANS2D':
- rear_reduced = reduced.replace('front','rear')
+ rear_reduced = reduced.replace('front', 'rear')
else: #if ins_name == 'lOQ':
- rear_reduced = reduced.replace('HAB','main')
- RenameWorkspace(InputWorkspace=reduced,OutputWorkspace=final_name+'_front')
- RenameWorkspace(InputWorkspace=rear_reduced,OutputWorkspace=final_name+'_rear')
+ rear_reduced = reduced.replace('HAB', 'main')
+ new_name_HAB = su.rename_workspace_correctly(ins_name, su.ReducedType.HAB, final_name, reduced)
+ new_name_LAB = su.rename_workspace_correctly(ins_name, su.ReducedType.LAB, final_name, rear_reduced)
+ names = [new_name_HAB, new_name_LAB]
elif combineDet == 'merged':
- names = [final_name + '_merged', final_name + '_rear', final_name+'_front']
if ins_name == 'SANS2D':
- rear_reduced = reduced.replace('merged','rear')
- front_reduced = reduced.replace('merged','front')
+ rear_reduced = reduced.replace('merged', 'rear')
+ front_reduced = reduced.replace('merged', 'front')
else:
- rear_reduced = reduced.replace('_merged','')
- front_reduced = rear_reduced.replace('main','HAB')
- RenameWorkspace(InputWorkspace=reduced,OutputWorkspace= final_name + '_merged')
- RenameWorkspace(InputWorkspace=rear_reduced,OutputWorkspace= final_name + '_rear')
- RenameWorkspace(InputWorkspace=front_reduced,OutputWorkspace= final_name+'_front')
+ rear_reduced = reduced.replace('_merged', '')
+ front_reduced = rear_reduced.replace('main', 'HAB')
+ new_name_Merged = su.rename_workspace_correctly(ins_name, su.ReducedType.Merged, final_name, reduced)
+ new_name_LAB = su.rename_workspace_correctly(ins_name, su.ReducedType.LAB, final_name, rear_reduced)
+ new_name_HAB = su.rename_workspace_correctly(ins_name, su.ReducedType.HAB, final_name, front_reduced)
+ names = [new_name_Merged, new_name_LAB, new_name_HAB]
else:
- RenameWorkspace(InputWorkspace=reduced,OutputWorkspace=final_name)
+ RenameWorkspace(InputWorkspace=reduced, OutputWorkspace=final_name)
file = run['output_as']
#saving if optional and doesn't happen if the result workspace is left blank. Is this feature used?
@@ -310,6 +369,11 @@ def BatchReduce(filename, format, plotresults=False, saveAlgs={'SaveRKH':'txt'},
# sample logs.
_ws = mtd[workspace_name]
transmission_properties = get_transmission_properties(_ws)
+
+ # Add the geometry properties if they exist
+ if geometry_properties:
+ transmission_properties.update(geometry_properties)
+
# Call the SaveCanSAS1D with the Transmission and TransmissionCan if they are
# available
SaveCanSAS1D(save_names_dict[workspace_name], workspace_name+ext, DetectorNames=detnames,
@@ -496,7 +560,13 @@ def setUserFileInBatchMode(new_user_file, current_user_file, original_user_file,
# Try to find the user file in the default paths
if not os.path.isfile(new_user_file):
- user_file = FileFinder.getFullPath(new_user_file)
+ # Find the user file in the Mantid path. we make sure that the user file has a txt extension.
+ user_file_names_with_extension = su.get_user_file_name_options_with_txt_extension(new_user_file)
+ for user_file_name_with_extension in user_file_names_with_extension:
+ user_file = FileFinder.getFullPath(user_file_name_with_extension)
+ if user_file:
+ break
+
if not os.path.isfile(user_file):
user_file_to_set = original_user_file
else:
diff --git a/scripts/SANS/SANSUtility.py b/scripts/SANS/SANSUtility.py
index dfb8d3c057d573254c869ee2ab11aea802e1affb..784a9277e78b23ff7c9b2bb2f2bc3058554eaacc 100644
--- a/scripts/SANS/SANSUtility.py
+++ b/scripts/SANS/SANSUtility.py
@@ -1962,6 +1962,112 @@ def get_unfitted_transmission_workspace_name(workspace_name):
return unfitted_workspace_name
+def get_user_file_name_options_with_txt_extension(user_file_name):
+ """
+ A user file is a .txt file. The user file can be specified without the .txt ending. Which will prevent the
+ FileFinder from picking it up.
+
+ @param user_file_name: the name of the user file
+ @return: either the original user file name or a list of user file names with .txt and .TXT extensions
+ """
+ capitalized_user_file = user_file_name.upper()
+ if capitalized_user_file.endswith('.TXT'):
+ user_file_with_extension = [user_file_name]
+ else:
+ user_file_with_extension = [user_file_name + ".txt", user_file_name + ".TXT"]
+ return user_file_with_extension
+
+
+def get_correct_combinDet_setting(instrument_name, detector_selection):
+ """
+ We want to get the correct combinDet variable for batch reductions from a new detector selection.
+
+ @param instrument_name: the name of the intrument
+ @param detector_selection: a detector selection comes directly from the reducer
+ @return: a combinedet option
+ """
+ if detector_selection is None:
+ return None
+
+ instrument_name = instrument_name.upper()
+ # If we are dealing with LARMOR, then the correct combineDet selection is None
+ if instrument_name == "LARMOR":
+ return None
+
+ detector_selection = detector_selection.upper()
+ # If we are dealing with LOQ, then the correct combineDet selection is
+ if instrument_name == "LOQ":
+ if detector_selection == "MAIN":
+ new_combine_detector_selection = 'rear'
+ elif detector_selection == "HAB":
+ new_combine_detector_selection = 'front'
+ elif detector_selection == "MERGED":
+ new_combine_detector_selection = 'merged'
+ elif detector_selection == "BOTH":
+ new_combine_detector_selection = 'both'
+ else:
+ raise RuntimeError("SANSBatchReduce: Unknown detector {0} for conversion "
+ "to combineDet.".format(detector_selection))
+ return new_combine_detector_selection
+
+ # If we are dealing with SANS2D, then the correct combineDet selection is
+ if instrument_name == "SANS2D":
+ if detector_selection == "REAR":
+ new_combine_detector_selection = 'rear'
+ elif detector_selection == "FRONT":
+ new_combine_detector_selection = 'front'
+ elif detector_selection == "MERGED":
+ new_combine_detector_selection = 'merged'
+ elif detector_selection == "BOTH":
+ new_combine_detector_selection = 'both'
+ else:
+ raise RuntimeError("SANSBatchReduce: Unknown detector {0} for conversion "
+ "to combineDet.".format(detector_selection))
+ return new_combine_detector_selection
+ raise RuntimeError("SANSBatchReduce: Unknown instrument {0}.".format(instrument_name))
+
+
+class ReducedType(object):
+ class LAB(object):
+ pass
+
+ class HAB(object):
+ pass
+
+ class Merged(object):
+ pass
+
+
+def rename_workspace_correctly(instrument_name, reduced_type, final_name, workspace):
+ def get_suffix(inst_name, red_type):
+ if inst_name == "SANS2D":
+ if red_type is ReducedType.LAB:
+ suffix = "_rear"
+ elif red_type is ReducedType.HAB:
+ suffix = "_front"
+ elif red_type is ReducedType.Merged:
+ suffix = "_merged"
+ else:
+ raise RuntimeError("Unknown reduction type {0}.".format(red_type))
+ return suffix
+ elif inst_name == "LOQ":
+ if red_type is ReducedType.LAB:
+ suffix = "_main"
+ elif red_type is ReducedType.HAB:
+ suffix = "_hab"
+ elif red_type is ReducedType.Merged:
+ suffix = "_merged"
+ else:
+ raise RuntimeError("Unknown reduction type {0}.".format(red_type))
+ return suffix
+ else:
+ return ""
+ final_suffix = get_suffix(instrument_name, reduced_type)
+ complete_name = final_name + final_suffix
+ RenameWorkspace(InputWorkspace=workspace, OutputWorkspace=complete_name)
+ return complete_name
+
+
###############################################################################
######################### Start of Deprecated Code ############################
###############################################################################
diff --git a/scripts/SCD_Reduction/ReduceDictionary.py b/scripts/SCD_Reduction/ReduceDictionary.py
index 053b4e25908a2e9fd29727f52041b999f39f60cc..11a574760ef4a3d4faea42f915587e2d37c60689 100644
--- a/scripts/SCD_Reduction/ReduceDictionary.py
+++ b/scripts/SCD_Reduction/ReduceDictionary.py
@@ -13,6 +13,7 @@
# The run numbers themselves may be specified as a comma separated list of
# individual run numbers, or ranges specified with a colon separator.
#
+from __future__ import (absolute_import, division, print_function)
def LoadDictionary( *filenames, **kwargs ):
@@ -29,7 +30,7 @@ def LoadDictionary( *filenames, **kwargs ):
words = line.split()
# error check the number of values
if len(words) < 2:
- print "Syntax Error On Line: " + line
+ print("Syntax Error On Line: " + line)
# set the value
else:
(key, value) = words[0:2]
diff --git a/scripts/SCD_Reduction/ReduceSCD_OneRun.py b/scripts/SCD_Reduction/ReduceSCD_OneRun.py
index 2d715a0b325d1ea3d858a25072010ffedd4add33..46015e45642628c32fedd67255fc5978cefa4791 100644
--- a/scripts/SCD_Reduction/ReduceSCD_OneRun.py
+++ b/scripts/SCD_Reduction/ReduceSCD_OneRun.py
@@ -35,6 +35,7 @@
# the use of either monitor counts (True) or proton charge (False) for
# scaling.
+from __future__ import (absolute_import, division, print_function)
import os
import sys
import time
@@ -45,8 +46,8 @@ sys.path.append("/opt/mantidnightly/bin") # noqa
from mantid.simpleapi import *
from mantid.api import *
-print "API Version"
-print apiVersion()
+print("API Version")
+print(apiVersion())
start_time = time.time()
@@ -54,7 +55,7 @@ start_time = time.time()
# Get the config file name and the run number to process from the command line
#
if len(sys.argv) < 3:
- print "You MUST give the config file name(s) and run number on the command line"
+ print("You MUST give the config file name(s) and run number on the command line")
exit(0)
config_files = sys.argv[1:-1]
@@ -135,11 +136,11 @@ else:
full_name = str(item)
if not full_name.endswith('nxs'):
- print "Exiting since the data_directory was not specified and"
- print "findnexus failed for event NeXus file: " + instrument_name + " " + str(run)
+ print("Exiting since the data_directory was not specified and")
+ print("findnexus failed for event NeXus file: " + instrument_name + " " + str(run))
exit(0)
-print "\nProcessing File: " + full_name + " ......\n"
+print("\nProcessing File: " + full_name + " ......\n")
#
# Name the files to write for this run
@@ -170,14 +171,14 @@ if (calibration_file_1 is not None ) or (calibration_file_2 is not None):
monitor_ws = LoadNexusMonitors( Filename=full_name )
proton_charge = monitor_ws.getRun().getProtonCharge() * 1000.0 # get proton charge
-print "\n", run, " has integrated proton charge x 1000 of", proton_charge, "\n"
+print("\n", run, " has integrated proton charge x 1000 of", proton_charge, "\n")
integrated_monitor_ws = Integration( InputWorkspace=monitor_ws,
RangeLower=min_monitor_tof, RangeUpper=max_monitor_tof,
StartWorkspaceIndex=monitor_index, EndWorkspaceIndex=monitor_index )
monitor_count = integrated_monitor_ws.dataY(0)[0]
-print "\n", run, " has integrated monitor count", monitor_count, "\n"
+print("\n", run, " has integrated monitor count", monitor_count, "\n")
minVals= "-"+max_Q +",-"+max_Q +",-"+max_Q
maxVals = max_Q +","+max_Q +","+ max_Q
@@ -235,13 +236,13 @@ else:
# PeakIntegration algorithm.
#
if integrate_predicted_peaks:
- print "PREDICTING peaks to integrate...."
+ print("PREDICTING peaks to integrate....")
peaks_ws = PredictPeaks( InputWorkspace=peaks_ws,
WavelengthMin=min_pred_wl, WavelengthMax=max_pred_wl,
MinDSpacing=min_pred_dspacing, MaxDSpacing=max_pred_dspacing,
ReflectionCondition='Primitive' )
else:
- print "Only integrating FOUND peaks ...."
+ print("Only integrating FOUND peaks ....")
#
# Set the monitor counts for all the peaks that will be integrated
#
@@ -253,9 +254,9 @@ for i in range(num_peaks):
else:
peak.setMonitorCount( proton_charge )
if use_monitor_counts:
- print '\n*** Beam monitor counts used for scaling.'
+ print('\n*** Beam monitor counts used for scaling.')
else:
- print '\n*** Proton charge x 1000 used for scaling.\n'
+ print('\n*** Proton charge x 1000 used for scaling.\n')
if use_sphere_integration:
#
@@ -342,7 +343,7 @@ else:
# Print warning if user is trying to integrate using the cylindrical method and transorm the cell
if use_cylindrical_integration:
if (cell_type is not None) or (centering is not None):
- print "WARNING: Cylindrical profiles are NOT transformed!!!"
+ print("WARNING: Cylindrical profiles are NOT transformed!!!")
#
# If requested, also switch to the specified conventional cell and save the
# corresponding matrix and integrate file
@@ -369,8 +370,8 @@ else:
SaveIsawUB(InputWorkspace=peaks_ws, Filename=run_conventional_matrix_file )
end_time = time.time()
-print '\nReduced run ' + str(run) + ' in ' + str(end_time - start_time) + ' sec'
-print 'using config file(s) ' + ", ".join(config_files)
+print('\nReduced run ' + str(run) + ' in ' + str(end_time - start_time) + ' sec')
+print('using config file(s) ' + ", ".join(config_files))
#
# Try to get this to terminate when run by ReduceSCD_Parallel.py, from NX session
diff --git a/scripts/SCD_Reduction/ReduceSCD_Parallel.py b/scripts/SCD_Reduction/ReduceSCD_Parallel.py
index 1e3001a958ee6a58d663e3bf62419edd2d7bcbf5..3e9b2bbdd773cdd7e800b50c8f8badfc14a2fb48 100644
--- a/scripts/SCD_Reduction/ReduceSCD_Parallel.py
+++ b/scripts/SCD_Reduction/ReduceSCD_Parallel.py
@@ -34,6 +34,7 @@
# run or the loaded matirix instead of the default FFT method
#
+from __future__ import (absolute_import, division, print_function)
import os
import sys
import threading
@@ -45,8 +46,8 @@ sys.path.append("/opt/mantidnightly/bin") # noqa
from mantid.simpleapi import *
-print "API Version"
-print apiVersion()
+print("API Version")
+print(apiVersion())
start_time = time.time()
@@ -63,7 +64,7 @@ class ProcessThread ( threading.Thread ):
self.command = command
def run ( self ):
- print 'STARTING PROCESS: ' + self.command
+ print('STARTING PROCESS: ' + self.command)
os.system( self.command )
# -------------------------------------------------------------------------
@@ -72,7 +73,7 @@ class ProcessThread ( threading.Thread ):
# Get the config file name from the command line
#
if len(sys.argv) < 2:
- print "You MUST give the config file name on the command line"
+ print("You MUST give the config file name on the command line")
exit(0)
config_files = sys.argv[1:]
@@ -148,9 +149,9 @@ while not all_done:
if len(procList) == 0 and len(active_list) == 0 :
all_done = True
-print "\n**************************************************************************************"
-print "************** Completed Individual Runs, Starting to Combine Results ****************"
-print "**************************************************************************************\n"
+print("\n**************************************************************************************")
+print("************** Completed Individual Runs, Starting to Combine Results ****************")
+print("**************************************************************************************\n")
#
# First combine all of the integrated files, by reading the separate files and
@@ -178,8 +179,8 @@ if output_nexus:
full_name = str(item)
if not full_name.endswith('nxs'):
- print "Exiting since the data_directory was not specified and"
- print "findnexus failed for event NeXus file: " + instrument_name + " " + str(run)
+ print("Exiting since the data_directory was not specified and")
+ print("findnexus failed for event NeXus file: " + instrument_name + " " + str(run))
exit(0)
#
# Load the first data file to find instrument
@@ -282,7 +283,7 @@ if not use_cylindrical_integration:
if use_cylindrical_integration:
if (cell_type is not None) or (centering is not None):
- print "WARNING: Cylindrical profiles are NOT transformed!!!"
+ print("WARNING: Cylindrical profiles are NOT transformed!!!")
# Combine *.profiles files
filename = output_directory + '/' + exp_name + '.profiles'
outputFile = open( filename, 'w' )
@@ -316,11 +317,11 @@ if use_cylindrical_integration:
end_time = time.time()
-print "\n**************************************************************************************"
-print "****************************** DONE PROCESSING ALL RUNS ******************************"
-print "**************************************************************************************\n"
+print("\n**************************************************************************************")
+print("****************************** DONE PROCESSING ALL RUNS ******************************")
+print("**************************************************************************************\n")
-print 'Total time: ' + str(end_time - start_time) + ' sec'
-print 'Config file: ' + ", ".join(config_files)
-print 'Script file: ' + reduce_one_run_script + '\n'
-print
+print('Total time: ' + str(end_time - start_time) + ' sec')
+print('Config file: ' + ", ".join(config_files))
+print('Script file: ' + reduce_one_run_script + '\n')
+print()
diff --git a/scripts/SCD_Reduction/SCDCalibratePanelsResults.py b/scripts/SCD_Reduction/SCDCalibratePanelsResults.py
index 6fa02b04079dd941228e5d0e0b289a8701385cec..474a76a2cb49b270ec5968e16f7f0a41e8bf4519 100755
--- a/scripts/SCD_Reduction/SCDCalibratePanelsResults.py
+++ b/scripts/SCD_Reduction/SCDCalibratePanelsResults.py
@@ -4,6 +4,7 @@ Plot data in SCDcalib.log file from Mantid SCD Calibration.
A. J. Schultz, V. E. Lynch, August 2015
"""
+from __future__ import (absolute_import, division, print_function)
import pylab
import os
import math
@@ -107,4 +108,4 @@ for i in range(WSROW.getNumberHistograms()):
OUTPUT.write(' %2d %8d %8.2f %8.2f %8.2f\n' %
(IDnum, numPeaks, rmsd_col_mm, rmsd_row_mm, rmsd_combined_mm))
-print '\nAll done!'
+print('\nAll done!')
diff --git a/scripts/SliceViewAnimator.py b/scripts/SliceViewAnimator.py
index e21d55485add3d467d52c1f9d0133aeb7d21452e..4a1826079db1331cc48c4cc55911b50ac6b9c36b 100644
--- a/scripts/SliceViewAnimator.py
+++ b/scripts/SliceViewAnimator.py
@@ -1,5 +1,6 @@
#pylint: disable=too-many-arguments
+from __future__ import (absolute_import, division, print_function)
import numpy
from wand.image import Image
from wand.drawing import Drawing
diff --git a/scripts/Vates/SXD_NaCl.py b/scripts/Vates/SXD_NaCl.py
index 90448f33ae5279bdce1e4fe3346b21b1dcc41991..9d418ba063867b2aa8fa6107b69467185bc684a0 100644
--- a/scripts/Vates/SXD_NaCl.py
+++ b/scripts/Vates/SXD_NaCl.py
@@ -1,13 +1,16 @@
-#pylint: disable=invalid-name
+from __future__ import (absolute_import, division, print_function)
+
+
def reportUnitCell(peaks_ws):
latt = peaks_ws.sample().getOrientedLattice()
- print "-- Unit Cell --"
- print latt.a()
- print latt.b()
- print latt.c()
- print latt.alpha()
- print latt.beta()
- print latt.gamma()
+ print("-- Unit Cell --")
+ print(latt.a())
+ print(latt.b())
+ print(latt.c())
+ print(latt.alpha())
+ print(latt.beta())
+ print(latt.gamma())
+
#
# Exclude the monitors when loading the raw SXD file. This avoids
@@ -43,17 +46,17 @@ use_Niggli_lat_par = False
#
if use_fft:
FindUBUsingFFT(PeaksWorkspace=peaks_qLab, MinD='3', MaxD='5',Tolerance=0.08)
- print '\nNiggli cell found from FindUBUsingFFT:'
+ print('\nNiggli cell found from FindUBUsingFFT:')
if use_cubic_lat_par:
FindUBUsingLatticeParameters(PeaksWorkspace=peaks_qLab, a=5.6402,b=5.6402,c=5.6402,
alpha=90,beta=90,gamma=90,NumInitial=25,Tolerance=0.12)
- print '\nCubic cell found directly from FindUBUsingLatticeParameters'
+ print('\nCubic cell found directly from FindUBUsingLatticeParameters')
if use_Niggli_lat_par:
FindUBUsingLatticeParameters(PeaksWorkspace=peaks_qLab, a=3.9882,b=3.9882,c=3.9882,
alpha=60,beta=60,gamma=60,NumInitial=25,Tolerance=0.12)
- print '\nNiggli cell found from FindUBUsingLatticeParameters:'
+ print('\nNiggli cell found from FindUBUsingLatticeParameters:')
reportUnitCell(peaks_qLab)
@@ -68,5 +71,5 @@ peaks_qLab_Integrated = IntegratePeaksMD(InputWorkspace=QLab, PeaksWorkspace=pea
binned=BinMD(InputWorkspace=QLab,AlignedDim0='Q_lab_x,-15,15,200',AlignedDim1='Q_lab_y,-15,15,200',AlignedDim2='Q_lab_z,-15,15,200')
-print 'The final result is:'
+print('The final result is:')
reportUnitCell(peaks_qLab)
diff --git a/scripts/reduction/instruments/reflectometer/wks_utility.py b/scripts/reduction/instruments/reflectometer/wks_utility.py
index 630617631c38f81cd77ace0e81c47834a6d888f3..3606adbb775cb800b6c5483b24e7e9d08e2346d4 100644
--- a/scripts/reduction/instruments/reflectometer/wks_utility.py
+++ b/scripts/reduction/instruments/reflectometer/wks_utility.py
@@ -1677,7 +1677,7 @@ def getDistances(ws_event_data):
dPS_array[y, x] = sample.getDistance(detector)
# Distance sample->center of detector
- dSD = dPS_array[256./2.,304./2.]
+ dSD = dPS_array[256//2,304//2]
# Distance source->center of detector
dMD = dSD + dSM
diff --git a/scripts/test/SANSBatchModeTest.py b/scripts/test/SANSBatchModeTest.py
index ee2af6f8960622ce928cf96f915ab8114093499d..4a08260c3d395bd0d91dd377d524a141efac12ea 100644
--- a/scripts/test/SANSBatchModeTest.py
+++ b/scripts/test/SANSBatchModeTest.py
@@ -142,5 +142,22 @@ class TestSettingUserFileInBatchMode(unittest.TestCase):
# Clean up
self._delete_minimal_user_files(user_files)
+
+class TestGeometrySettings(unittest.TestCase):
+ def test_that_can_get_geometry_properties(self):
+ LOQ()
+ reducer = ReductionSingleton()
+ geometry_settings = bm.get_geometry_properties(reducer)
+ self.assertTrue("Geometry" in geometry_settings)
+ self.assertTrue("SampleHeight" in geometry_settings)
+ self.assertTrue("SampleWidth" in geometry_settings)
+ self.assertTrue("SampleThickness" in geometry_settings)
+
+ self.assertTrue(geometry_settings["Geometry"] == "Disc")
+ self.assertTrue(geometry_settings["SampleHeight"] == 1.)
+ self.assertTrue(geometry_settings["SampleWidth"] == 1.)
+ self.assertTrue(geometry_settings["SampleThickness"] == 1.)
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/scripts/test/SANSUtilityTest.py b/scripts/test/SANSUtilityTest.py
index 53bb2496a5ca2cf367a60d6c6aca6a49bc3f5a05..ad35f53ad57f6ef1b9d7cf475e16e80bd2d5064b 100644
--- a/scripts/test/SANSUtilityTest.py
+++ b/scripts/test/SANSUtilityTest.py
@@ -4,7 +4,7 @@ import unittest
# Need to import mantid before we import SANSUtility
import mantid
from mantid.simpleapi import *
-from mantid.api import (mtd, WorkspaceGroup, AlgorithmManager)
+from mantid.api import (mtd, WorkspaceGroup, AlgorithmManager, AnalysisDataService)
from mantid.kernel import (DateAndTime, time_duration, FloatTimeSeriesProperty,
BoolTimeSeriesProperty,StringTimeSeriesProperty,
StringPropertyWithValue, V3D, Quat)
@@ -30,7 +30,7 @@ def provide_group_workspace_for_added_event_data(event_ws_name, monitor_ws_name,
CreateWorkspace(DataX = [1,2,3], DataY = [2,3,4], OutputWorkspace = monitor_ws_name)
CreateSampleWorkspace(WorkspaceType= 'Event', OutputWorkspace = event_ws_name)
GroupWorkspaces(InputWorkspaces = [event_ws_name, monitor_ws_name ], OutputWorkspace = out_ws_name)
-
+
def addSampleLogEntry(log_name, ws, start_time, extra_time_shift, make_linear = False):
number_of_times = 10
for i in range(0, number_of_times):
@@ -1323,8 +1323,6 @@ class TestCorrectingCummulativeSampleLogs(unittest.TestCase):
out_ws_name = 'out_ws'
time_shift = 0
log_names = ['good_uah_log', 'good_frames', 'new_series']
- import time
- time.sleep(10)
start_time_1 = "2010-01-01T00:00:00"
proton_charge_1 = 10.2
lhs = provide_event_ws_with_entries(names[0],start_time_1, extra_time_shift = 0.0,
@@ -1513,8 +1511,6 @@ class TestBenchRotDetection(unittest.TestCase):
def test_workspace_without_bench_raises(self):
# Arrange
- import time
- time.sleep(10)
ws = self._get_sample_workspace(has_bench_rot=False)
# Act + Assert
expected_raise = True
@@ -1523,8 +1519,6 @@ class TestBenchRotDetection(unittest.TestCase):
def test_workspace_without_bench_but_no_log_dict_does_not_raise(self):
# Arrange
- import time
- time.sleep(10)
ws = self._get_sample_workspace(has_bench_rot=False)
# Act + Assert
expected_raise = False
@@ -1567,6 +1561,7 @@ class TestQuaternionToAngleAndAxis(unittest.TestCase):
# There shouldn't be an axis for angle 0
self._do_test_quaternion(angle, axis)
+
class TestTransmissionName(unittest.TestCase):
def test_that_suffix_is_added_if_not_exists(self):
# Arrange
@@ -1585,5 +1580,98 @@ class TestTransmissionName(unittest.TestCase):
expected = workspace_name
self.assertTrue(unfitted_workspace_name == expected)
+
+class TestAddingUserFileExtension(unittest.TestCase):
+ def test_that_does_not_alter_user_file_name_when_contains_txt_ending(self):
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test.TXt") == ["test.TXt"])
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test.txt") == ["test.txt"])
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test.TXT") == ["test.TXT"])
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test.tXt") == ["test.tXt"])
+
+ def test_that_does_alters_user_file_name_when_does_contain_txt_ending(self):
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test.tt") == ["test.tt.txt", "test.tt.TXT"])
+ self.assertTrue(su.get_user_file_name_options_with_txt_extension("test") == ["test.txt", "test.TXT"])
+
+
+class TestSelectNewDetector(unittest.TestCase):
+ def test_that_for_SANS2D_correct_settings_are_selected(self):
+ self.assertTrue(su.get_correct_combinDet_setting("SANS2d", "rear") == "rear")
+ self.assertTrue(su.get_correct_combinDet_setting("SANS2D", "FRONT") == "front")
+ self.assertTrue(su.get_correct_combinDet_setting("sAnS2d", "boTH") == "both")
+ self.assertTrue(su.get_correct_combinDet_setting("sans2d", "merged") == "merged")
+
+ def test_that_for_LOQ_correct_settings_are_selected(self):
+ self.assertTrue(su.get_correct_combinDet_setting("Loq", "main") == "rear")
+ self.assertTrue(su.get_correct_combinDet_setting("LOQ", "Hab") == "front")
+ self.assertTrue(su.get_correct_combinDet_setting("lOQ", "boTH") == "both")
+ self.assertTrue(su.get_correct_combinDet_setting("loq", "merged") == "merged")
+
+ def test_that_for_LARMOR_correct_settings_are_selected(self):
+ self.assertTrue(su.get_correct_combinDet_setting("larmor", "main") is None)
+ self.assertTrue(su.get_correct_combinDet_setting("LARMOR", "DetectorBench") is None)
+
+ def test_that_for_unknown_instrument_raises(self):
+ args = ["unknown_instrument", "main"]
+ self.assertRaises(RuntimeError, su.get_correct_combinDet_setting, *args)
+
+ def test_that_for_unknown_detector_command_raises(self):
+ args = ["sans2d", "main"]
+ self.assertRaises(RuntimeError, su.get_correct_combinDet_setting, *args)
+ args = ["loq", "front"]
+ self.assertRaises(RuntimeError, su.get_correct_combinDet_setting, *args)
+
+
+class TestRenamingOfBatchModeWorkspaces(unittest.TestCase):
+ def _create_sample_workspace(self):
+ ws = CreateSampleWorkspace(Function='Flat background', NumBanks=1, BankPixelWidth=1, NumEvents=1,
+ XMin=1, XMax=14, BinWidth=2)
+ return ws
+
+ def test_that_SANS2D_workspace_is_renamed_correctly(self):
+ workspace = self._create_sample_workspace()
+ out_name = su.rename_workspace_correctly("SANS2D", su.ReducedType.LAB, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_rear"))
+ self.assertTrue(out_name == "test_rear")
+ out_name = su.rename_workspace_correctly("SANS2D", su.ReducedType.HAB, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_front"))
+ self.assertTrue(out_name == "test_front")
+ out_name = su.rename_workspace_correctly("SANS2D", su.ReducedType.Merged, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_merged"))
+ self.assertTrue(out_name == "test_merged")
+
+ if AnalysisDataService.doesExist("test_merged"):
+ AnalysisDataService.remove("test_merged")
+
+ def test_that_LOQ_workspace_is_renamed_correctly(self):
+ workspace = self._create_sample_workspace()
+ out_name = su.rename_workspace_correctly("LOQ", su.ReducedType.LAB, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_main"))
+ self.assertTrue(out_name == "test_main")
+ out_name = su.rename_workspace_correctly("LOQ", su.ReducedType.HAB, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_hab"))
+ self.assertTrue(out_name == "test_hab")
+ out_name = su.rename_workspace_correctly("LOQ", su.ReducedType.Merged, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test_merged"))
+ self.assertTrue(out_name == "test_merged")
+
+ if AnalysisDataService.doesExist("test_merged"):
+ AnalysisDataService.remove("test_merged")
+
+ def test_that_LAMROR_workspace_is_not_renamed(self):
+ workspace = self._create_sample_workspace()
+ out_name = su.rename_workspace_correctly("LARMOR", su.ReducedType.LAB, "test", workspace)
+ self.assertTrue(AnalysisDataService.doesExist("test"))
+ self.assertTrue(out_name == "test")
+
+ if AnalysisDataService.doesExist("test"):
+ AnalysisDataService.remove("test")
+
+ def test_that_raies_for_unkown_reduction_type(self):
+ workspace = self._create_sample_workspace()
+ args = ["SANS2D", "jsdlkfsldkfj", "test", workspace]
+ self.assertRaises(RuntimeError, su.rename_workspace_correctly, *args)
+ AnalysisDataService.remove("ws")
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/tools/release_generator/patch.py b/tools/release_generator/patch.py
new file mode 100755
index 0000000000000000000000000000000000000000..04412aed2fa397875cfb5d6df0209109c28fbede
--- /dev/null
+++ b/tools/release_generator/patch.py
@@ -0,0 +1,169 @@
+#!/usr/bin/env python
+from __future__ import (absolute_import, division, print_function, unicode_literals)
+import os
+import requests
+
+doc='''.. _v{version}:
+
+==========================
+Mantid {version} Release Notes
+==========================
+
+.. contents:: Table of Contents
+ :local:
+
+This is a patch release that corrects some significant issues since :ref:`version {version_previous} <v{version_previous}>`.
+
+The main changes are:
+
+**ADD SUMMARY HERE**
+
+Citation
+--------
+
+Please cite any usage of Mantid as follows:
+
+- *Mantid {version}: Manipulation and Analysis Toolkit for Instrument Data.; Mantid Project*.
+ `doi: 10.5286/Software/Mantid{version} <http://dx.doi.org/10.5286/Software/Mantid{version}>`_
+
+
+Changes in this version
+-----------------------
+
+{changes}
+
+Summary of impact
+-----------------
+{impact}
+
+.. _download page: http://download.mantidproject.org
+
+.. _forum: http://forum.mantidproject.org
+
+.. _GitHub release page: https://github.com/mantidproject/mantid/releases/tag/v{version}
+'''
+
+
+def getOauth(oauth = None):
+ oauthfile = os.path.expanduser("~/.ssh/github_oauth")
+ if oauth is None and os.path.exists(oauthfile):
+ print("Found oauth token '%s'" % oauthfile)
+ with open(oauthfile, 'r') as handle:
+ oauth='\n'.join(handle.readlines())
+ handle.close()
+ oauth=oauth.strip()
+ return oauth
+
+
+def getInfo(number, oauth):
+ urls = ['{keyword}/{number:d}'.format(keyword=item, number=number)
+ for item in ['pulls', 'issues']]
+ endpoint = 'https://api.github.com/repos/mantidproject/mantid/'
+ urls = [endpoint + url for url in urls]
+
+ req_params={}
+ if oauth is not None:
+ req_params['access_token']=oauth
+
+ for url in urls:
+ req = requests.get(url, params=req_params)
+ json = req.json()
+ if req.status_code == 403:
+ print('For', number, 'status:', req.status_code, 'skipping')
+ print(json['message'])
+ continue
+
+ json = req.json()
+ if json.get('message', None) == 'Not Found':
+ print('Failed to find information on', number, 'try as an issue')
+ continue
+
+ return dict(
+ number = int(json['number']),
+ url = json['html_url'],
+ title = json['title'].strip()
+ )
+
+ return None
+
+
+def formatChanges(pullrequests):
+ changes = ['* `{number:d} <{url}>`_ {title} '.format(**pr) for pr in pullrequests]
+ changes = '\n'.join(changes)
+ return changes
+
+
+def formatImpact(pullrequests):
+ length_number = 5 # length of the word 'Issue'
+ length_title = 6 # length of the word 'Impact'
+
+ for pullrequest in pullrequests:
+ temp = len(str(pullrequest['number']))
+ if temp > length_number:
+ length_number = temp
+
+ temp = len(pullrequest['title'])
+ if temp > length_title:
+ length_title = temp
+ impact_format = '| {number:%dd} | {title:%d} | | **unknown** |' % (length_number, length_title)
+
+ # sorry for this looking wierd
+ impact_join = [length_number + 2, length_title+2, 10, 14]
+ title_format = '|{:%d}|{:%d}|{:%d}|{:%d}|' % tuple(impact_join)
+ title_join = '+' + '+'.join(['='*length for length in impact_join]) + '+'
+
+ impact_title = [title_format.format(' Issue', ' Impact', ' Solution', ' Side Effect'),
+ title_format.format('', '', '', ' Probability'),
+ title_join]
+
+ impact_join = ['-'*length for length in impact_join]
+ impact_join = '\n+' + '+'.join(impact_join) + '+'
+
+ impact = [impact_format.format(**pr) + impact_join
+ for pr in pullrequests]
+
+ for i, line in enumerate(impact_title):
+ impact.insert(i, line)
+ impact.insert(0, impact_join)
+
+ return '\n'.join(impact)
+
+
+def getPreviousRelease(release, previous):
+ if previous is not None:
+ return previous
+ splitted = release.split('.')
+ splitted[-1] = (str(int(splitted[-1])-1))
+ return '.'.join(splitted)
+
+
+if __name__ == '__main__':
+ from argparse import ArgumentParser
+ parser = ArgumentParser(description="Generate patch release page")
+ parser.add_argument('--release', required=True)
+ parser.add_argument('--previous', help='specify a particular previous release')
+ parser.add_argument('-p', '--pulls', nargs='+', type=int,
+ help='specify a list of pull requests and/or issues')
+ parser.add_argument('--oauth',
+ help='github oauth token - automatically checks ~/.ssh/github_oauth')
+ args=parser.parse_args()
+
+ oauth = getOauth(args.oauth)
+
+ pullrequests = [getInfo(pullrequest, oauth) for pullrequest in args.pulls]
+ pullrequests = [pullrequest for pullrequest in pullrequests
+ if pullrequest is not None]
+
+ changes = formatChanges(pullrequests)
+ impact = formatImpact(pullrequests)
+
+ config = dict(
+ version=args.release,
+ version_previous=getPreviousRelease(args.release, args.previous),
+ changes=changes,
+ impact=impact)
+
+ filename = 'index.rst'
+ print('Writing output to', filename)
+ with open(filename, 'w') as handle:
+ handle.write(doc.format(**config))
diff --git a/tools/skipped_systemtests.py b/tools/skipped_systemtests.py
index 5634804ac173c34450198ab817da3b4a29086a68..1782e3d184fac0abb8c1abb8167e2a8bc9c8b75b 100755
--- a/tools/skipped_systemtests.py
+++ b/tools/skipped_systemtests.py
@@ -5,7 +5,7 @@ import datetime
import requests # python-requests
URL = "http://builds.mantidproject.org/job/master_systemtests"
-PLATFORMS=['rhel7', 'osx', 'win7', 'ubuntu', 'ubuntu-16.04']
+PLATFORMS=['rhel7','osx', 'win7', 'ubuntu', 'ubuntu-16.04']
class TestCase(object):