diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md
index cb76fa46d12f841d1b5ee2f6f599720d197b6446..b9bbbac114cf4398acf75cbfec18f6bd9d203c4a 100644
--- a/.github/CONTRIBUTING.md
+++ b/.github/CONTRIBUTING.md
@@ -1,8 +1,8 @@
-The [developer documentation](http://www.mantidproject.org/Category:Development) has information on how to participate in the mantid project as a developer. This document is meant to outline the steps for contributing to mantid without becomming a developer. We aspire to have similar guidelines as [github](https://github.com/blog/1943-how-to-write-the-perfect-pull-request).
+The [developer documentation](http://developer.mantidproject.org/) has information on how to participate in the mantid project as a developer. This document is meant to outline the steps for contributing to mantid without becomming a developer. We aspire to have similar guidelines as [github](https://github.com/blog/1943-how-to-write-the-perfect-pull-request).
1. [Fork](https://help.github.com/articles/fork-a-repo) the repository. *recommended:* Delete all branches other than `master`. This makes it easier to see what is in your fork later.
2. Clone the repository with the remotes `origin` pointing at your fork as `origin` and `mantidproject/mantid` as `upstream`. This is a [common setup](https://help.github.com/articles/configuring-a-remote-for-a-fork/).
- 3. Make changes as you see fit. Please still follow the guidelines for [running the unit tests](http://www.mantidproject.org/Running_the_unit_tests) and the [build servers](http://www.mantidproject.org/The_automated_build_process).
+ 3. Make changes as you see fit. Please still follow the guidelines for [running the unit tests](http://developer.mantidproject.org/RunningTheUnitTests.html) and the [build servers](http://developer.mantidproject.org/AutomatedBuildProcess.html).
4. Submit a [pull request](https://help.github.com/articles/using-pull-requests) to this branch. This is a start to the conversation.
7. (Optional) email mantid-help@mantidproject.org requests to.
diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md
index f2a9331c7f867a4fc927dc4208dc5c038d649701..e229daad59c9b3566f585415c8178d10e1510a2f 100644
--- a/.github/PULL_REQUEST_TEMPLATE.md
+++ b/.github/PULL_REQUEST_TEMPLATE.md
@@ -19,7 +19,7 @@ Fixes #xxxx. <!-- and fix #xxxx or close #xxxx xor resolves #xxxx -->
#### Reviewer ####
-Please comment on the following ([full description](http://www.mantidproject.org/Individual_Ticket_Testing)):
+Please comment on the following ([full description](http://developer.mantidproject.org/IndividualTicketTesting/)):
##### Code Review #####
diff --git a/.gitignore b/.gitignore
index 07c6b866b6a40cebb9a12c58a6095cde08701e0e..0bf82370fc12d12d98df4433da272ee489769c11 100644
--- a/.gitignore
+++ b/.gitignore
@@ -177,7 +177,8 @@ Desktop.ini
#Dynamically created files
Framework/Kernel/inc/MantidKernel/GitHubApiHelper.h
Vates/VatesSimpleGui/ViewWidgets/inc/MantidVatesSimpleGuiViewWidgets/LibHelper.h
-
+qt/applications/workbench/setup.py
+qt/python/setup.py
# Make sure Third_Party doesn't get checked into the main repository
Third_Party/
diff --git a/CMakeLists.txt b/CMakeLists.txt
index cbf238f3ac687378183395e565d967e9bc5d3bd6..ccade423d537682f25e723a062a5cbd298eec9c6 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -17,17 +17,19 @@ if (POLICY CMP0072)
endif ()
# System package target is important for the windows builds as it allows us to package only the dlls and exes and exclude libs. Defaults to empty for other platforms.
-set ( SYSTEM_PACKAGE_TARGET "")
+set ( SYSTEM_PACKAGE_TARGET "" )
# Add the path to our custom 'find' modules
set ( CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/buildconfig/CMake")
-set ( ENABLE_MANTIDPLOT ON CACHE BOOL "Switch for compiling the Qt4-based gui & components")
-# TODO: Switch this on by default when the builders all have Qt5 installed
-set ( ENABLE_WORKBENCH OFF CACHE BOOL "Switch for compiling the Qt5-based gui & components")
+set ( ENABLE_MANTIDPLOT ON CACHE BOOL "Enable Qt4-based gui & components" )
+set ( ENABLE_WORKBENCH OFF CACHE BOOL "Enable Qt5-based gui & components" )
+set ( PACKAGE_WORKBENCH OFF CACHE BOOL "If packaging is enabled then include the Qt-5 workbench in the package" )
+if ( PACKAGE_WORKBENCH AND NOT ENABLE_WORKBENCH )
+ message ( FATAL_ERROR "Packaging workbench requested but workbench build is disabled!" )
+endif ()
-set ( CPACK_INSTALL_CMAKE_PROJECTS
- "${CMAKE_BINARY_DIR}" "Mantid" "ALL" "/" )
+set ( CPACK_INSTALL_CMAKE_PROJECTS "${CMAKE_BINARY_DIR}" "Mantid" "ALL" "/" )
###########################################################################
# Quick exit if we only want data targets
@@ -304,6 +306,9 @@ if ( ENABLE_CPACK )
# scipy
set ( CPACK_RPM_PACKAGE_REQUIRES "${CPACK_RPM_PACKAGE_REQUIRES},scipy" )
set ( CPACK_RPM_PACKAGE_REQUIRES "${CPACK_RPM_PACKAGE_REQUIRES},mxml,hdf,hdf5,jsoncpp >= 0.7.0" )
+ if (ENABLE_WORKBENCH)
+ set ( CPACK_RPM_PACKAGE_REQUIRES "${CPACK_RPM_PACKAGE_REQUIRES},python-qt5" )
+ endif()
if( "${UNIX_CODENAME}" MATCHES "Santiago" ) # RHEL6
# On RHEL6 we have to use an updated qscintilla to fix an auto complete bug
@@ -371,6 +376,13 @@ if ( ENABLE_CPACK )
list (REMOVE_ITEM DEPENDS_LIST "python-nxs (>= 4.3),")
string ( REPLACE "python-" "python3-" DEPENDS_LIST ${DEPENDS_LIST} )
string ( REPLACE "python3-qt4" "python3-pyqt4" DEPENDS_LIST ${DEPENDS_LIST} )
+ if (ENABLE_WORKBENCH)
+ set ( APPEND DEPENDS_LIST ",python3-qt5" )
+ endif()
+ else()
+ if (ENABLE_WORKBENCH)
+ set ( APPEND DEPENDS_LIST ",pyqt5" )
+ endif()
endif ()
# parse list to string required for deb package
string ( REPLACE ";" "" CPACK_DEBIAN_PACKAGE_DEPENDS ${DEPENDS_LIST} )
diff --git a/Framework/API/CMakeLists.txt b/Framework/API/CMakeLists.txt
index 3fa7bdf8ff6ad8ad41ae13c977defe2ce4c8d3d3..78facd863b5900e0b3421ebd50e7b08a7b11d097 100644
--- a/Framework/API/CMakeLists.txt
+++ b/Framework/API/CMakeLists.txt
@@ -111,6 +111,7 @@ set ( SRC_FILES
src/NullCoordTransform.cpp
src/NumericAxis.cpp
src/NumericAxisValidator.cpp
+ src/OrientedLatticeValidator.cpp
src/ParallelAlgorithm.cpp
src/ParamFunction.cpp
src/ParameterReference.cpp
@@ -310,6 +311,7 @@ set ( INC_FILES
inc/MantidAPI/NullCoordTransform.h
inc/MantidAPI/NumericAxis.h
inc/MantidAPI/NumericAxisValidator.h
+ inc/MantidAPI/OrientedLatticeValidator.h
inc/MantidAPI/ParallelAlgorithm.h
inc/MantidAPI/ParamFunction.h
inc/MantidAPI/ParameterReference.h
@@ -435,6 +437,7 @@ set ( TEST_FILES
NotebookWriterTest.h
NumericAxisTest.h
NumericAxisValidatorTest.h
+ OrientedLatticeValidatorTest.h
ParamFunctionAttributeHolderTest.h
ParameterReferenceTest.h
ParameterTieTest.h
diff --git a/Framework/API/inc/MantidAPI/OrientedLatticeValidator.h b/Framework/API/inc/MantidAPI/OrientedLatticeValidator.h
new file mode 100644
index 0000000000000000000000000000000000000000..edceaeb05f25b2c0d5a10cc5c54c976266b4bf43
--- /dev/null
+++ b/Framework/API/inc/MantidAPI/OrientedLatticeValidator.h
@@ -0,0 +1,52 @@
+#ifndef MANTID_API_ORIENTEDLATTICEVALIDATOR_H
+#define MANTID_API_ORIENTEDLATTICEVALIDATOR_H
+
+#include "MantidAPI/DllConfig.h"
+#include "MantidAPI/ExperimentInfo.h"
+#include "MantidKernel/TypedValidator.h"
+
+/**
+ A validator which checks that a workspace has an oriented lattice attached to
+ it.
+
+ Copyright © 2015 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>
+*/
+namespace Mantid {
+namespace API {
+class MANTID_API_DLL OrientedLatticeValidator
+ : public Kernel::TypedValidator<ExperimentInfo_sptr> {
+public:
+ /// Gets the type of the validator
+ std::string getType() const { return "orientedlattice"; }
+ /// Clone the current state
+ Kernel::IValidator_sptr clone() const override;
+
+private:
+ /// Check for validity.
+ std::string
+ checkValidity(const ExperimentInfo_sptr &workspace) const override;
+};
+
+} // namespace API
+} // namespace Mantid
+
+#endif // MANTID_API_ORIENTEDLATTICEVALIDATOR_H
diff --git a/Framework/API/src/OrientedLatticeValidator.cpp b/Framework/API/src/OrientedLatticeValidator.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..2aedef2bb82b5b591af75d7508c55c779e8e852c
--- /dev/null
+++ b/Framework/API/src/OrientedLatticeValidator.cpp
@@ -0,0 +1,34 @@
+#include "MantidAPI/OrientedLatticeValidator.h"
+#include "MantidAPI/ExperimentInfo.h"
+#include "MantidAPI/Sample.h"
+#include "MantidKernel/IValidator.h"
+#include <boost/make_shared.hpp>
+
+using Mantid::Kernel::IValidator_sptr;
+
+namespace Mantid {
+namespace API {
+
+/**
+ * Clone the current state
+ */
+Kernel::IValidator_sptr OrientedLatticeValidator::clone() const {
+ return boost::make_shared<OrientedLatticeValidator>(*this);
+}
+
+/** Checks that workspace has an oriented lattice.
+ *
+ * @param info :: The experiment info to check for an oriented lattice.
+ * @return A user level description of the error or "" for no error
+ */
+std::string
+OrientedLatticeValidator::checkValidity(const ExperimentInfo_sptr &info) const {
+ if (!info->sample().hasOrientedLattice()) {
+ return "Workspace must have a sample with an orientation matrix defined.";
+ } else {
+ return "";
+ }
+}
+
+} // namespace API
+} // namespace Mantid
diff --git a/Framework/API/test/OrientedLatticeValidatorTest.h b/Framework/API/test/OrientedLatticeValidatorTest.h
new file mode 100644
index 0000000000000000000000000000000000000000..15056f1f8b37447ece1a6d9533cece0635007f95
--- /dev/null
+++ b/Framework/API/test/OrientedLatticeValidatorTest.h
@@ -0,0 +1,47 @@
+#ifndef MANTID_ORIENTEDLATTICEVALIDATOR_TEST_H
+#define MANTID_ORIENTEDLATTICEVALIDATOR_TEST_H
+
+#include <boost/make_shared.hpp>
+#include <cxxtest/TestSuite.h>
+
+#include "MantidAPI/ExperimentInfo.h"
+#include "MantidAPI/OrientedLatticeValidator.h"
+#include "MantidAPI/Sample.h"
+#include "MantidGeometry/Crystal/OrientedLattice.h"
+#include "MantidTestHelpers/FakeObjects.h"
+
+class OrientedLatticeValidatorTest : 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 OrientedLatticeValidatorTest *createSuite() {
+ return new OrientedLatticeValidatorTest();
+ }
+ static void destroySuite(OrientedLatticeValidatorTest *suite) {
+ delete suite;
+ }
+
+ void test_getType() {
+ OrientedLatticeValidator validator;
+ TS_ASSERT_EQUALS(validator.getType(), "orientedlattice")
+ }
+
+ void test_isValid_is_valid_when_latticeDefined() {
+ OrientedLattice lattice;
+ auto info = boost::make_shared<ExperimentInfo>();
+ info->mutableSample().setOrientedLattice(&lattice);
+
+ OrientedLatticeValidator validator;
+ TS_ASSERT_EQUALS(validator.isValid(info), "");
+ };
+
+ void test_isValid_is_invalid_when_latticeUndefined() {
+ auto info = boost::make_shared<ExperimentInfo>();
+ OrientedLatticeValidator validator;
+ TS_ASSERT_EQUALS(
+ validator.isValid(info),
+ "Workspace must have a sample with an orientation matrix defined.");
+ };
+};
+
+#endif // MANTID_ORIENTEDLATTICEVALIDATOR_TEST_H
diff --git a/Framework/DataHandling/src/SaveGSS.cpp b/Framework/DataHandling/src/SaveGSS.cpp
index e0553f416d692b38d431ceb1e0761c50fc62ec84..ed411a29fc9d03ef67682d7ae4c75e0577bf29ef 100644
--- a/Framework/DataHandling/src/SaveGSS.cpp
+++ b/Framework/DataHandling/src/SaveGSS.cpp
@@ -9,6 +9,7 @@
#include "MantidKernel/ArrayLengthValidator.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/CompositeValidator.h"
+#include "MantidKernel/Exception.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/PhysicalConstants.h"
#include "MantidKernel/TimeSeriesProperty.h"
@@ -668,13 +669,11 @@ void SaveGSS::openFileStream(const std::string &outFilePath,
// Have to wrap this in a unique pointer as GCC 4.x (RHEL 7) does
// not support the move operator on iostreams
outStream.open(outFilePath, mode);
-
if (outStream.fail()) {
// Get the error message from library and log before throwing
const std::string error = strerror(errno);
- g_log.error("Failed to open file. Error was: " + error);
- throw std::runtime_error("Could not open the file at the following path: " +
- outFilePath);
+ throw Kernel::Exception::FileError(
+ "Failed to open file. Error was: " + error, outFilePath);
}
// Stream is good at this point
@@ -751,21 +750,6 @@ std::map<std::string, std::string> SaveGSS::validateInputs() {
return result;
}
-namespace { // anonymous
-// throw an exception if file cannot be written
-void checkWritable(const std::string &filename) {
- const auto fileobj = Poco::File(filename);
- if (fileobj.exists()) {
- if (!fileobj.canWrite())
- throw std::runtime_error("Cannot write to " + filename);
- } else {
- const auto pathobj = Poco::Path(filename).makeAbsolute().parent();
- if (!Poco::File(pathobj.toString()).canWrite())
- throw std::runtime_error("Cannot write to " + pathobj.toString());
- }
-}
-} // namespace
-
/**
* Writes all the spectra to the file(s) from the buffer to the
* list of output file paths.
@@ -782,13 +766,10 @@ void SaveGSS::writeBufferToFile(size_t numOutFiles, size_t numSpectra) {
const auto numOutFilesInt64 = static_cast<int64_t>(numOutFiles);
- // verify that all paths can be written to
- for (const auto &filename : m_outFileNames) {
- checkWritable(filename);
- }
-
PARALLEL_FOR_NO_WSP_CHECK()
for (int64_t fileIndex = 0; fileIndex < numOutFilesInt64; fileIndex++) {
+ PARALLEL_START_INTERUPT_REGION
+
// Open each file when there are multiple
std::ofstream fileStream;
openFileStream(m_outFileNames[fileIndex], fileStream);
@@ -807,7 +788,9 @@ void SaveGSS::writeBufferToFile(size_t numOutFiles, size_t numSpectra) {
"Failed to close the file at " + m_outFileNames[fileIndex] +
" - this file may be empty, corrupted or incorrect.");
}
+ PARALLEL_END_INTERUPT_REGION
}
+ PARALLEL_CHECK_INTERUPT_REGION
}
void SaveGSS::writeRALFHeader(std::stringstream &out, int bank,
@@ -850,7 +833,6 @@ void SaveGSS::writeRALF_ALTdata(std::stringstream &out, const int bank,
std::vector<std::unique_ptr<std::stringstream>> outLines;
outLines.resize(numberOfOutLines);
- PARALLEL_FOR_NO_WSP_CHECK()
for (int64_t i = 0; i < numberOfOutLines; i++) {
outLines[i] = makeStringStream();
auto &outLine = *outLines[i];
diff --git a/Framework/DataHandling/src/SaveNexusProcessed.cpp b/Framework/DataHandling/src/SaveNexusProcessed.cpp
index 04f5e45932330d4044da107983af2017ed8c523f..fdd8cd6ec3f3815b026b77e00347175c0ec3d937 100644
--- a/Framework/DataHandling/src/SaveNexusProcessed.cpp
+++ b/Framework/DataHandling/src/SaveNexusProcessed.cpp
@@ -220,7 +220,7 @@ void SaveNexusProcessed::doExec(
nexusFile->openNexusWrite(m_filename, entryNumber);
// Equivalent C++ API handle
- auto cppFile = new ::NeXus::File(nexusFile->fileID);
+ ::NeXus::File cppFile(nexusFile->fileID);
prog_init.reportIncrement(1, "Opening file");
if (nexusFile->writeNexusProcessedHeader(m_title, wsName) != 0)
@@ -231,7 +231,7 @@ void SaveNexusProcessed::doExec(
// write instrument data, if present and writer enabled
if (matrixWorkspace) {
// Save the instrument names, ParameterMap, sample, run
- matrixWorkspace->saveExperimentInfoNexus(cppFile);
+ matrixWorkspace->saveExperimentInfoNexus(&cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
// check if all X() are in fact the same array
@@ -256,23 +256,21 @@ void SaveNexusProcessed::doExec(
spec, "workspace", true);
}
- cppFile->openGroup("instrument", "NXinstrument");
- saveSpectraMapNexus(*matrixWorkspace, cppFile, spec, ::NeXus::LZW);
- cppFile->closeGroup();
+ cppFile.openGroup("instrument", "NXinstrument");
+ saveSpectraMapNexus(*matrixWorkspace, &cppFile, spec, ::NeXus::LZW);
+ cppFile.closeGroup();
} // finish matrix workspace specifics
if (peaksWorkspace) {
// Save the instrument names, ParameterMap, sample, run
- peaksWorkspace->saveExperimentInfoNexus(cppFile);
+ peaksWorkspace->saveExperimentInfoNexus(&cppFile);
prog_init.reportIncrement(1, "Writing sample and instrument");
}
// peaks workspace specifics
if (peaksWorkspace) {
- // g_log.information("Peaks Workspace saving to Nexus would be done");
- // int pNum = peaksWorkspace->getNumberPeaks();
- peaksWorkspace->saveNexus(cppFile);
+ peaksWorkspace->saveNexus(&cppFile);
} // finish peaks workspace specifics
else if (tableWorkspace) // Table workspace specifics
@@ -294,7 +292,7 @@ void SaveNexusProcessed::doExec(
}
}
- inputWorkspace->history().saveNexus(cppFile);
+ inputWorkspace->history().saveNexus(&cppFile);
nexusFile->closeGroup();
}
diff --git a/Framework/DataObjects/test/WorkspaceValidatorsTest.h b/Framework/DataObjects/test/WorkspaceValidatorsTest.h
index f54126de447492575f5f8dee6b214831e3f23ca1..4fea1646dd445dd74c067f07d727fd60e71d6050 100644
--- a/Framework/DataObjects/test/WorkspaceValidatorsTest.h
+++ b/Framework/DataObjects/test/WorkspaceValidatorsTest.h
@@ -5,12 +5,14 @@
#include "MantidAPI/CommonBinsValidator.h"
#include "MantidAPI/HistogramValidator.h"
#include "MantidAPI/InstrumentValidator.h"
+#include "MantidAPI/OrientedLatticeValidator.h"
#include "MantidAPI/RawCountValidator.h"
#include "MantidAPI/Sample.h"
#include "MantidAPI/SampleValidator.h"
#include "MantidAPI/WorkspaceProperty.h"
#include "MantidAPI/WorkspaceUnitValidator.h"
#include "MantidDataObjects/Workspace2D.h"
+#include "MantidGeometry/Crystal/OrientedLattice.h"
#include "MantidKernel/Material.h"
#include "MantidKernel/NeutronAtom.h"
#include "MantidKernel/UnitFactory.h"
@@ -218,6 +220,22 @@ public:
}
}
+ void testOrientedLatticeValidator() {
+ using Mantid::API::OrientedLatticeValidator;
+ using Mantid::DataObjects::Workspace2D;
+ using Mantid::Geometry::OrientedLattice;
+ OrientedLatticeValidator validator;
+ auto ws = boost::make_shared<Workspace2D>();
+ TS_ASSERT_EQUALS(
+ validator.isValid(ws),
+ "Workspace must have a sample with an orientation matrix defined.");
+
+ OrientedLattice lattice;
+ ws->mutableSample().setOrientedLattice(&lattice);
+
+ TS_ASSERT_EQUALS(validator.isValid(ws), "");
+ }
+
void testSampleValidator() {
using Mantid::Geometry::CSGObject;
using Mantid::Kernel::Material;
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h
index 1cebdd54ab3f3fec92ee392f50fb9335b086f1a0..57bd0766e398b71eff36f20691ebccd5ad5403a6 100644
--- a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h
@@ -59,6 +59,10 @@ public:
return "MDAlgorithms\\DataHandling";
}
+ const std::vector<std::string> seeAlso() const override {
+ return {"LoadDNSLegacy", "LoadWANDSCD", "ConvertWANDSCDtoQ"};
+ }
+
/// Returns a confidence value that this algorithm can load a file
int confidence(Kernel::FileDescriptor &descriptor) const override;
@@ -68,6 +72,9 @@ private:
/// Run the algorithm
void exec() override;
+ /// The column separator
+ std::string m_columnSep;
+
/// number of workspace dimensions
size_t m_nDims;
@@ -78,11 +85,13 @@ private:
/// structure for experimental data
struct ExpData {
- double deterota;
- double huber;
+ double deterota; // detector rotation angle
+ double huber; // sample rotation angle
double wavelength;
- double norm;
- std::vector<double> signal;
+ double norm; // normalizarion
+ size_t nchannels; // TOF channels number
+ double chwidth; // channel width, microseconds
+ std::vector<std::vector<double>> signal;
std::vector<int> detID;
};
@@ -91,6 +100,7 @@ private:
/// Output IMDEventWorkspace
Mantid::API::IMDEventWorkspace_sptr m_OutWS;
+ int splitIntoColumns(std::list<std::string> &columns, std::string &str);
void read_data(const std::string fname,
std::map<std::string, std::string> &str_metadata,
std::map<std::string, double> &num_metadata);
diff --git a/Framework/MDAlgorithms/src/LoadDNSSCD.cpp b/Framework/MDAlgorithms/src/LoadDNSSCD.cpp
index 3be4cd8641601bfa35bdc95a01ca94f497bada3d..3592d4f9b650734bbc5b661c52bd2cda239033b3 100644
--- a/Framework/MDAlgorithms/src/LoadDNSSCD.cpp
+++ b/Framework/MDAlgorithms/src/LoadDNSSCD.cpp
@@ -6,18 +6,24 @@
#include "MantidAPI/RegisterFileLoader.h"
#include "MantidAPI/Run.h"
#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidDataObjects/MDBoxBase.h"
#include "MantidDataObjects/MDEventFactory.h"
+#include "MantidDataObjects/MDEventInserter.h"
#include "MantidGeometry/Crystal/IndexingUtils.h"
#include "MantidGeometry/Crystal/OrientedLattice.h"
+#include "MantidGeometry/Instrument.h"
#include "MantidGeometry/MDGeometry/HKL.h"
#include "MantidKernel/ArrayLengthValidator.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/ConfigService.h"
#include "MantidKernel/ListValidator.h"
+#include "MantidKernel/PhysicalConstants.h"
#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/UnitLabelTypes.h"
#include "MantidKernel/VectorHelper.h"
+#include "MantidMDAlgorithms/MDWSDescription.h"
+#include "MantidMDAlgorithms/MDWSTransform.h"
#include <Poco/DateTime.h>
#include <Poco/DateTimeFormat.h>
#include <Poco/DateTimeFormatter.h>
@@ -33,11 +39,6 @@
#include <iterator>
#include <map>
-#include "MantidDataObjects/MDBoxBase.h"
-#include "MantidDataObjects/MDEventInserter.h"
-#include "MantidMDAlgorithms/MDWSDescription.h"
-#include "MantidMDAlgorithms/MDWSTransform.h"
-
//========================
// helper functions
namespace {
@@ -94,7 +95,7 @@ DECLARE_FILELOADER_ALGORITHM(LoadDNSSCD)
//----------------------------------------------------------------------------------------------
/** Constructor
*/
-LoadDNSSCD::LoadDNSSCD() : m_nDims(3) {}
+LoadDNSSCD::LoadDNSSCD() : m_columnSep("\t, ;"), m_nDims(4) {}
/**
* Return the confidence with with this algorithm can load the file
@@ -202,6 +203,19 @@ void LoadDNSSCD::init() {
Kernel::make_unique<WorkspaceProperty<API::ITableWorkspace>>(
"SaveHuberTo", "", Direction::Output, PropertyMode::Optional),
"A workspace name to save a list of raw sample rotation angles.");
+
+ auto mustBeIntPositive = boost::make_shared<BoundedValidator<int>>();
+ mustBeIntPositive->setLower(0);
+ declareProperty(make_unique<PropertyWithValue<int>>(
+ "ElasticChannel", 0, mustBeIntPositive, Direction::Input),
+ "Elastic channel number. Only for TOF data.");
+
+ auto mustBeNegative = boost::make_shared<BoundedValidator<double>>();
+ mustBeNegative->setUpper(0.0);
+ declareProperty(
+ make_unique<PropertyWithValue<double>>("DeltaEmin", -10.0, mustBeNegative,
+ Direction::Input),
+ "Minimal energy transfer to consider. Should be <=0. Only for TOF data.");
}
//----------------------------------------------------------------------------------------------
@@ -301,6 +315,15 @@ void LoadDNSSCD::exec() {
throw std::runtime_error(
"No valid DNS files have been provided. Nothing to load.");
+ // merge data with different time channel number is not allowed
+ auto ch_n = m_data.front().nchannels;
+ bool same_channel_number =
+ std::all_of(m_data.begin(), m_data.end(),
+ [ch_n](ExpData &d) { return (d.nchannels == ch_n); });
+ if (!same_channel_number)
+ throw std::runtime_error(
+ "Error: cannot merge data with different TOF channel numbers.");
+
m_OutWS = MDEventFactory::CreateMDWorkspace(m_nDims, "MDEvent");
m_OutWS->addExperimentInfo(expinfo);
@@ -333,6 +356,13 @@ void LoadDNSSCD::exec() {
setProperty("OutputWorkspace", m_OutWS);
}
+int LoadDNSSCD::splitIntoColumns(std::list<std::string> &columns,
+ std::string &str) {
+ boost::split(columns, str, boost::is_any_of(m_columnSep),
+ boost::token_compress_on);
+ return static_cast<int>(columns.size());
+}
+
//----------------------------------------------------------------------------------------------
template <class T>
@@ -373,15 +403,17 @@ void LoadDNSSCD::updateProperties(API::Run &run,
void LoadDNSSCD::fillOutputWorkspace(double wavelength) {
// dimensions
- std::vector<std::string> vec_ID(3);
+ std::vector<std::string> vec_ID(4);
vec_ID[0] = "H";
vec_ID[1] = "K";
vec_ID[2] = "L";
+ vec_ID[3] = "DeltaE";
- std::vector<std::string> dimensionNames(3);
+ std::vector<std::string> dimensionNames(4);
dimensionNames[0] = "H";
dimensionNames[1] = "K";
dimensionNames[2] = "L";
+ dimensionNames[3] = "DeltaE";
Mantid::Kernel::SpecialCoordinateSystem coordinateSystem =
Mantid::Kernel::HKL;
@@ -396,10 +428,36 @@ void LoadDNSSCD::fillOutputWorkspace(double wavelength) {
std::vector<double> u = getProperty("HKL1");
std::vector<double> v = getProperty("HKL2");
+ // load empty DNS instrument to access L1 and L2
+ IAlgorithm_sptr loadAlg =
+ AlgorithmManager::Instance().create("LoadEmptyInstrument");
+ loadAlg->setChild(true);
+ loadAlg->setLogging(false);
+ loadAlg->initialize();
+ loadAlg->setProperty("InstrumentName", "DNS");
+ loadAlg->setProperty("OutputWorkspace", "__DNS_Inst");
+ loadAlg->execute();
+ MatrixWorkspace_sptr instWS = loadAlg->getProperty("OutputWorkspace");
+ const auto &instrument = instWS->getInstrument();
+ const auto &samplePosition = instrument->getSample()->getPos();
+ const auto &sourcePosition = instrument->getSource()->getPos();
+ const auto beamVector = samplePosition - sourcePosition;
+ const auto l1 = beamVector.norm();
+ // calculate tof1
+ auto velocity = PhysicalConstants::h /
+ (PhysicalConstants::NeutronMass * wavelength * 1e-10); // m/s
+ auto tof1 = 1e+06 * l1 / velocity; // microseconds
+ g_log.debug() << "TOF1 = " << tof1 << std::endl;
+ // calculate incident energy
+ auto Ei = 0.5 * PhysicalConstants::NeutronMass * velocity * velocity /
+ PhysicalConstants::meV;
+ g_log.debug() << "Ei = " << Ei << std::endl;
+
+ double dEmin = getProperty("DeltaEmin");
// estimate extents
double qmax = 4.0 * M_PI / wavelength;
- std::vector<double> extentMins = {-qmax * a, -qmax * b, -qmax * c};
- std::vector<double> extentMaxs = {qmax * a, qmax * b, qmax * c};
+ std::vector<double> extentMins = {-qmax * a, -qmax * b, -qmax * c, dEmin};
+ std::vector<double> extentMaxs = {qmax * a, qmax * b, qmax * c, Ei};
// Get MDFrame of HKL type with RLU
auto unitFactory = makeMDUnitFactoryChain();
@@ -446,52 +504,103 @@ void LoadDNSSCD::fillOutputWorkspace(double wavelength) {
ub_inv.Invert();
// Creates a new instance of the MDEventInserter to output workspace
- MDEventWorkspace<MDEvent<3>, 3>::sptr mdws_mdevt_3 =
- boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<3>, 3>>(m_OutWS);
- MDEventInserter<MDEventWorkspace<MDEvent<3>, 3>::sptr> inserter(mdws_mdevt_3);
+ MDEventWorkspace<MDEvent<4>, 4>::sptr mdws_mdevt_4 =
+ boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<4>, 4>>(m_OutWS);
+ MDEventInserter<MDEventWorkspace<MDEvent<4>, 4>::sptr> inserter(mdws_mdevt_4);
// create a normalization workspace
IMDEventWorkspace_sptr normWS = m_OutWS->clone();
// Creates a new instance of the MDEventInserter to norm workspace
- MDEventWorkspace<MDEvent<3>, 3>::sptr normws_mdevt_3 =
- boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<3>, 3>>(normWS);
- MDEventInserter<MDEventWorkspace<MDEvent<3>, 3>::sptr> norm_inserter(
- normws_mdevt_3);
+ MDEventWorkspace<MDEvent<4>, 4>::sptr normws_mdevt_4 =
+ boost::dynamic_pointer_cast<MDEventWorkspace<MDEvent<4>, 4>>(normWS);
+ MDEventInserter<MDEventWorkspace<MDEvent<4>, 4>::sptr> norm_inserter(
+ normws_mdevt_4);
// scattering angle limits
std::vector<double> tth_limits = getProperty("TwoThetaLimits");
double theta_min = tth_limits[0] * deg2rad / 2.0;
double theta_max = tth_limits[1] * deg2rad / 2.0;
+ // get elastic channel from the user input
+ int echannel_user = getProperty("ElasticChannel");
+
// Go though each element of m_data to convert to MDEvent
for (ExpData ds : m_data) {
uint16_t runindex = 0;
signal_t norm_signal(ds.norm);
signal_t norm_error = std::sqrt(m_normfactor * norm_signal);
- double k = 2.0 / ds.wavelength;
+ double ki = 2.0 * M_PI / ds.wavelength;
for (size_t i = 0; i < ds.detID.size(); i++) {
- signal_t signal(ds.signal[i]);
- signal_t error = std::sqrt(signal);
+ const auto &detector = instWS->getDetector(i);
+ const auto &detectorPosition = detector->getPos();
+ const auto detectorVector = detectorPosition - samplePosition;
+ const auto l2 = detectorVector.norm();
+ auto tof2_elastic = 1e+06 * l2 / velocity;
+ // geometric elastic channel
+ int echannel_geom =
+ static_cast<int>(std::ceil(tof2_elastic / ds.chwidth));
+ // rotate the signal array to get elastic peak at right position
+ int ch_diff = echannel_geom - echannel_user;
+ if ((echannel_user > 0) && (ch_diff < 0)) {
+ std::rotate(ds.signal[i].begin(), ds.signal[i].begin() - ch_diff,
+ ds.signal[i].end());
+ } else if ((echannel_user > 0) && (ch_diff > 0)) {
+ std::rotate(ds.signal[i].rbegin(), ds.signal[i].rbegin() + ch_diff,
+ ds.signal[i].rend());
+ }
detid_t detid(ds.detID[i]);
double theta = 0.5 * (ds.detID[i] * 5.0 - ds.deterota) * deg2rad;
+ int64_t nchannels = static_cast<int64_t>(ds.signal[i].size());
if ((theta > theta_min) && (theta < theta_max)) {
- double omega = (ds.huber - ds.deterota) * deg2rad - theta;
- V3D uphi(-cos(omega), 0, -sin(omega));
- V3D hphi = uphi * k * sin(theta);
- V3D hkl = ub_inv * hphi;
- std::vector<Mantid::coord_t> millerindex(3);
- millerindex[0] = static_cast<float>(hkl.X());
- millerindex[1] = static_cast<float>(hkl.Y());
- millerindex[2] = static_cast<float>(hkl.Z());
- inserter.insertMDEvent(
- static_cast<float>(signal), static_cast<float>(error * error),
- static_cast<uint16_t>(runindex), detid, millerindex.data());
-
- norm_inserter.insertMDEvent(static_cast<float>(norm_signal),
- static_cast<float>(norm_error * norm_error),
- static_cast<uint16_t>(runindex), detid,
- millerindex.data());
+ PARALLEL_FOR_IF(Kernel::threadSafe(*m_OutWS, *normWS))
+ for (auto channel = 0; channel < nchannels; channel++) {
+ PARALLEL_START_INTERUPT_REGION
+ double signal = ds.signal[i][channel];
+ signal_t error = std::sqrt(signal);
+ double tof2 = static_cast<double>(channel) * ds.chwidth +
+ 0.5 * ds.chwidth; // bin centers
+ double dE = 0.0;
+ if (nchannels > 1) {
+ double v2 = 1e+06 * l2 / tof2;
+ dE = Ei - 0.5 * PhysicalConstants::NeutronMass * v2 * v2 /
+ PhysicalConstants::meV;
+ }
+ if (dE > dEmin) {
+ double kf =
+ std::sqrt(ki * ki - 2.0e-20 * PhysicalConstants::NeutronMass *
+ dE * PhysicalConstants::meV /
+ (PhysicalConstants::h_bar *
+ PhysicalConstants::h_bar));
+ double tlab =
+ std::atan2(ki - kf * cos(2.0 * theta), kf * sin(2.0 * theta));
+ double omega = (ds.huber - ds.deterota) * deg2rad - tlab;
+ V3D uphi(-cos(omega), 0, -sin(omega));
+ double qabs = 0.5 *
+ std::sqrt(ki * ki + kf * kf -
+ 2.0 * ki * kf * cos(2.0 * theta)) /
+ M_PI;
+ V3D hphi = uphi * qabs; // qabs = ki * sin(theta), for elastic case;
+ V3D hkl = ub_inv * hphi;
+ std::vector<Mantid::coord_t> millerindex(4);
+ millerindex[0] = static_cast<float>(hkl.X());
+ millerindex[1] = static_cast<float>(hkl.Y());
+ millerindex[2] = static_cast<float>(hkl.Z());
+ millerindex[3] = static_cast<float>(dE);
+ PARALLEL_CRITICAL(addValues) {
+ inserter.insertMDEvent(
+ static_cast<float>(signal), static_cast<float>(error * error),
+ static_cast<uint16_t>(runindex), detid, millerindex.data());
+
+ norm_inserter.insertMDEvent(
+ static_cast<float>(norm_signal),
+ static_cast<float>(norm_error * norm_error),
+ static_cast<uint16_t>(runindex), detid, millerindex.data());
+ }
+ }
+ PARALLEL_END_INTERUPT_REGION
+ }
+ PARALLEL_CHECK_INTERUPT_REGION
}
}
}
@@ -572,28 +681,36 @@ void LoadDNSSCD::read_data(const std::string fname,
}
}
- // the algorithm does not work with TOF data for the moment
std::map<std::string, double>::const_iterator m =
num_metadata.lower_bound("TOF");
g_log.debug() << "TOF Channels number: " << m->second << std::endl;
- if (m->second != 1)
- throw std::runtime_error(
- "Algorithm does not support TOF data. TOF Channels number must be 1.");
+ std::map<std::string, double>::const_iterator w =
+ num_metadata.lower_bound("Time");
+ g_log.debug() << "Channel width: " << w->second << std::endl;
ExpData ds;
ds.deterota = num_metadata["DeteRota"];
ds.huber = num_metadata["Huber"];
ds.wavelength = 10.0 * num_metadata["Lambda[nm]"];
ds.norm = num_metadata[m_normtype];
+ ds.chwidth = w->second;
+ ds.nchannels = static_cast<size_t>(std::ceil(m->second));
// read data array
getline(file, line);
- int d;
- double x;
- while (file) {
- file >> d >> x;
- ds.detID.push_back(d);
- ds.signal.push_back(x);
+
+ std::list<std::string> columns;
+ while (getline(file, line)) {
+ boost::trim(line);
+ const int cols = splitIntoColumns(columns, line);
+ if (cols > 0) {
+ ds.detID.push_back(std::stoi(columns.front()));
+ columns.pop_front();
+ std::vector<double> signal;
+ std::transform(columns.begin(), columns.end(), std::back_inserter(signal),
+ [](const std::string &s) { return std::stod(s); });
+ ds.signal.push_back(signal);
+ }
}
// DNS PA detector bank has only 24 detectors
ds.detID.resize(24);
diff --git a/Framework/MDAlgorithms/test/LoadDNSSCDTest.h b/Framework/MDAlgorithms/test/LoadDNSSCDTest.h
index 9bfe650d060e9cd82189c69086b9a1c7facd46f3..56b2df7bbd0208467fac1fcfe99ce189cff7dac6 100644
--- a/Framework/MDAlgorithms/test/LoadDNSSCDTest.h
+++ b/Framework/MDAlgorithms/test/LoadDNSSCDTest.h
@@ -1,6 +1,7 @@
#ifndef MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
#define MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
+#include "LoadDNSSCDTestReference.h"
#include "MantidAPI/AnalysisDataService.h"
#include "MantidAPI/BoxController.h"
#include "MantidAPI/ExperimentInfo.h"
@@ -25,6 +26,37 @@ using namespace Mantid::API;
using namespace Mantid::DataObjects;
using namespace Mantid::MDAlgorithms;
+bool cmp_Events(const std::vector<coord_t> &ev1,
+ const std::vector<coord_t> &ev2) {
+ // event1 < event2 if it has smaller det_id and dE
+ assert(ev1.size() == 8);
+ assert(ev2.size() == 8);
+ float eps = 1.0e-07f;
+ if (std::abs(ev1[3] - ev2[3]) > eps) {
+ return ev1[3] < ev2[3];
+ } else {
+ return ev1[7] < ev2[7];
+ }
+}
+
+void sort_Events(std::vector<coord_t> &events) {
+ // 1. split the events vector into 8-sized chunks
+ std::vector<std::vector<coord_t>> sub_events;
+ auto itr = events.cbegin();
+ while (itr < events.cend()) {
+ sub_events.emplace_back(std::vector<coord_t>(itr, itr + 8));
+ itr += 8;
+ }
+ // 2. sort the vector of chunks
+ std::sort(sub_events.begin(), sub_events.end(), cmp_Events);
+
+ // 3. put the sorted array back
+ events.clear();
+ for (auto ev : sub_events) {
+ events.insert(end(events), begin(ev), end(ev));
+ }
+}
+
class LoadDNSSCDTest : public CxxTest::TestSuite {
public:
// This pair of boilerplate methods prevent the suite being created statically
@@ -137,6 +169,7 @@ public:
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
@@ -147,9 +180,9 @@ public:
outWSName));
TS_ASSERT(iws);
- TS_ASSERT_EQUALS(iws->getNumDims(), 3);
+ TS_ASSERT_EQUALS(iws->getNumDims(), 4);
TS_ASSERT_EQUALS(iws->getNPoints(), 24);
- TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,3>");
+ TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,4>");
// test box controller
BoxController_sptr bc = iws->getBoxController();
@@ -157,15 +190,19 @@ public:
TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
// test dimensions
- std::vector<std::string> v = {"H", "K", "L"};
- for (auto i = 0; i < 3; i++) {
+ std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
+ for (auto i = 0; i < 4; i++) {
auto dim = iws->getDimension(i);
TS_ASSERT(dim);
TS_ASSERT_EQUALS(dim->getName(), v[i]);
TS_ASSERT_EQUALS(dim->getNBins(), 5);
double d(1.0e-05);
TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
- TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
+ if (i < 3) {
+ TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
+ } else {
+ TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
+ }
}
AnalysisDataService::Instance().remove(outWSName);
}
@@ -213,182 +250,14 @@ public:
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
- // 7 columns: I, err^2, run_num, det_id, h, k, l
- TS_ASSERT_EQUALS(ncols, 7);
- // 7*24 = 168
- TS_ASSERT_EQUALS(events.size(), 168);
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*24 = 192
+ TS_ASSERT_EQUALS(events.size(), 192);
// reference vector
- const std::vector<coord_t> ref = {4366,
- 4366,
- 0,
- 0,
- -0.09776273f,
- -0.09776273f,
- 0.10005156f,
- 31461,
- 31461,
- 0,
- 1,
- -0.15959044f,
- -0.15959044f,
- 0.14884006f,
- 33314,
- 33314,
- 0,
- 2,
- -0.224231616093f,
- -0.224231616093f,
- 0.189927174618f,
- 32369,
- 32369,
- 0,
- 3,
- -0.291194311172f,
- -0.291194311172f,
- 0.223000198347f,
- 31851,
- 31851,
- 0,
- 4,
- -0.359968893923f,
- -0.359968893923f,
- 0.247807429194f,
- 30221,
- 30221,
- 0,
- 5,
- -0.430031948245f,
- -0.430031948245f,
- 0.264160069153f,
- 26267,
- 26267,
- 0,
- 6,
- -0.500850251989f,
- -0.500850251989f,
- 0.271933664761f,
- 26788,
- 26788,
- 0,
- 7,
- -0.571884835101f,
- -0.571884835101f,
- 0.27106905426f,
- 29729,
- 29729,
- 0,
- 8,
- -0.642595081514f,
- -0.642595081514f,
- 0.26157281786f,
- 30188,
- 30188,
- 0,
- 9,
- -0.712442843555f,
- -0.712442843555f,
- 0.243517227652f,
- 28116,
- 28116,
- 0,
- 10,
- -0.78089653758f,
- -0.78089653758f,
- 0.217039697581f,
- 30277,
- 30277,
- 0,
- 11,
- -0.847435189645f,
- -0.847435189645f,
- 0.182341737639f,
- 20231,
- 20231,
- 0,
- 12,
- -0.911552400429f,
- -0.911552400429f,
- 0.13968742025f,
- 24538,
- 24538,
- 0,
- 13,
- -0.972760199244f,
- -0.972760199244f,
- 0.089401370527f,
- 16416,
- 16416,
- 0,
- 14,
- -1.03059275778f,
- -1.03059275778f,
- 0.0318662956709f,
- 20225,
- 20225,
- 0,
- 15,
- -1.08460993535f,
- -1.08460993535f,
- -0.0324799276578f,
- 19957,
- 19957,
- 0,
- 16,
- -1.13440062862f,
- -1.13440062862f,
- -0.103147585846f,
- 19570,
- 19570,
- 0,
- 17,
- -1.17958590034f,
- -1.17958590034f,
- -0.179598855345f,
- 20743,
- 20743,
- 0,
- 18,
- -1.21982186332f,
- -1.21982186332f,
- -0.261251895832f,
- 22758,
- 22758,
- 0,
- 19,
- -1.25480229757f,
- -1.25480229757f,
- -0.347485278364f,
- 23001,
- 23001,
- 0,
- 20,
- -1.28426098088f,
- -1.28426098088f,
- -0.437642714831f,
- 21836,
- 21836,
- 0,
- 21,
- -1.30797371487f,
- -1.30797371487f,
- -0.531038052704f,
- 23877,
- 23877,
- 0,
- 22,
- -1.32576003133f,
- -1.32576003133f,
- -0.626960497068f,
- 13340,
- 13340,
- 0,
- 23,
- -1.33748456564f,
- -1.33748456564f,
- -0.724680020201f};
double d(1.0e-06);
- for (auto i = 0; i < 168; i++) {
- TS_ASSERT_DELTA(events[i], ref[i], d);
+ for (auto i = 0; i < 192; i++) {
+ TS_ASSERT_DELTA(events[i], test_DataWS_ref[i], d);
}
AnalysisDataService::Instance().remove(outWSName);
@@ -407,6 +276,7 @@ public:
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
@@ -417,9 +287,9 @@ public:
normWSName));
TS_ASSERT(nws);
- TS_ASSERT_EQUALS(nws->getNumDims(), 3);
+ TS_ASSERT_EQUALS(nws->getNumDims(), 4);
TS_ASSERT_EQUALS(nws->getNPoints(), 24);
- TS_ASSERT_EQUALS(nws->id(), "MDEventWorkspace<MDEvent,3>");
+ TS_ASSERT_EQUALS(nws->id(), "MDEventWorkspace<MDEvent,4>");
// test box controller
BoxController_sptr bc = nws->getBoxController();
@@ -427,15 +297,19 @@ public:
TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
// test dimensions
- std::vector<std::string> v = {"H", "K", "L"};
- for (auto i = 0; i < 3; i++) {
+ std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
+ for (auto i = 0; i < 4; i++) {
auto dim = nws->getDimension(i);
TS_ASSERT(dim);
TS_ASSERT_EQUALS(dim->getName(), v[i]);
TS_ASSERT_EQUALS(dim->getNBins(), 5);
double d(1.0e-05);
TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
- TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
+ if (i < 3) {
+ TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
+ } else {
+ TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
+ }
}
AnalysisDataService::Instance().remove(normWSName);
}
@@ -483,182 +357,13 @@ public:
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
- // 7 columns: I, err^2, run_num, det_id, h, k, l
- TS_ASSERT_EQUALS(ncols, 7);
- // 7*24 = 168
- TS_ASSERT_EQUALS(events.size(), 168);
- // reference vector
- const std::vector<coord_t> ref = {8332872,
- 8332872,
- 0,
- 0,
- -0.09776273f,
- -0.09776273f,
- 0.10005156f,
- 8332872,
- 8332872,
- 0,
- 1,
- -0.15959044f,
- -0.15959044f,
- 0.14884006f,
- 8332872,
- 8332872,
- 0,
- 2,
- -0.224231616093f,
- -0.224231616093f,
- 0.189927174618f,
- 8332872,
- 8332872,
- 0,
- 3,
- -0.291194311172f,
- -0.291194311172f,
- 0.223000198347f,
- 8332872,
- 8332872,
- 0,
- 4,
- -0.359968893923f,
- -0.359968893923f,
- 0.247807429194f,
- 8332872,
- 8332872,
- 0,
- 5,
- -0.430031948245f,
- -0.430031948245f,
- 0.264160069153f,
- 8332872,
- 8332872,
- 0,
- 6,
- -0.500850251989f,
- -0.500850251989f,
- 0.271933664761f,
- 8332872,
- 8332872,
- 0,
- 7,
- -0.571884835101f,
- -0.571884835101f,
- 0.27106905426f,
- 8332872,
- 8332872,
- 0,
- 8,
- -0.642595081514f,
- -0.642595081514f,
- 0.26157281786f,
- 8332872,
- 8332872,
- 0,
- 9,
- -0.712442843555f,
- -0.712442843555f,
- 0.243517227652f,
- 8332872,
- 8332872,
- 0,
- 10,
- -0.78089653758f,
- -0.78089653758f,
- 0.217039697581f,
- 8332872,
- 8332872,
- 0,
- 11,
- -0.847435189645f,
- -0.847435189645f,
- 0.182341737639f,
- 8332872,
- 8332872,
- 0,
- 12,
- -0.911552400429f,
- -0.911552400429f,
- 0.13968742025f,
- 8332872,
- 8332872,
- 0,
- 13,
- -0.972760199244f,
- -0.972760199244f,
- 0.089401370527f,
- 8332872,
- 8332872,
- 0,
- 14,
- -1.03059275778f,
- -1.03059275778f,
- 0.0318662956709f,
- 8332872,
- 8332872,
- 0,
- 15,
- -1.08460993535f,
- -1.08460993535f,
- -0.0324799276578f,
- 8332872,
- 8332872,
- 0,
- 16,
- -1.13440062862f,
- -1.13440062862f,
- -0.103147585846f,
- 8332872,
- 8332872,
- 0,
- 17,
- -1.17958590034f,
- -1.17958590034f,
- -0.179598855345f,
- 8332872,
- 8332872,
- 0,
- 18,
- -1.21982186332f,
- -1.21982186332f,
- -0.261251895832f,
- 8332872,
- 8332872,
- 0,
- 19,
- -1.25480229757f,
- -1.25480229757f,
- -0.347485278364f,
- 8332872,
- 8332872,
- 0,
- 20,
- -1.28426098088f,
- -1.28426098088f,
- -0.437642714831f,
- 8332872,
- 8332872,
- 0,
- 21,
- -1.30797371487f,
- -1.30797371487f,
- -0.531038052704f,
- 8332872,
- 8332872,
- 0,
- 22,
- -1.32576003133f,
- -1.32576003133f,
- -0.626960497068f,
- 8332872,
- 8332872,
- 0,
- 23,
- -1.33748456564f,
- -1.33748456564f,
- -0.724680020201f};
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*24 = 192
+ TS_ASSERT_EQUALS(events.size(), 192);
double d(1.0e-06);
- for (auto i = 0; i < 168; i++) {
- TS_ASSERT_DELTA(events[i], ref[i], d);
+ for (auto i = 0; i < 192; i++) {
+ TS_ASSERT_DELTA(events[i], test_NormMonitor_ref[i], d);
}
AnalysisDataService::Instance().remove(normWSName);
@@ -707,39 +412,13 @@ public:
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
- // 7 columns: I, err^2, run_num, det_id, h, k, l
- TS_ASSERT_EQUALS(ncols, 7);
- // 7*24 = 168
- TS_ASSERT_EQUALS(events.size(), 168);
- // reference vector
- const std::vector<coord_t> ref = {
- 600, 0, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f,
- 600, 0, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f,
- 600, 0, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f,
- 600, 0, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f,
- 600, 0, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f,
- 600, 0, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f,
- 600, 0, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f,
- 600, 0, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f,
- 600, 0, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f,
- 600, 0, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f,
- 600, 0, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f,
- 600, 0, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f,
- 600, 0, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f,
- 600, 0, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f,
- 600, 0, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f,
- 600, 0, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f,
- 600, 0, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f,
- 600, 0, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f,
- 600, 0, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f,
- 600, 0, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f,
- 600, 0, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f,
- 600, 0, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f,
- 600, 0, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f,
- 600, 0, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f};
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*24 = 192
+ TS_ASSERT_EQUALS(events.size(), 192);
double d(1.0e-06);
- for (auto i = 0; i < 168; i++) {
- TS_ASSERT_DELTA(events[i], ref[i], d);
+ for (auto i = 0; i < 192; i++) {
+ TS_ASSERT_DELTA(events[i], test_NormTime_ref[i], d);
}
AnalysisDataService::Instance().remove(normWSName);
@@ -821,7 +500,7 @@ public:
outWSName));
TS_ASSERT(iws);
- TS_ASSERT_EQUALS(iws->getNumDims(), 3);
+ TS_ASSERT_EQUALS(iws->getNumDims(), 4);
// data should be replicated for each huber value
TS_ASSERT_EQUALS(iws->getNPoints(), 24 * n);
@@ -890,63 +569,13 @@ public:
std::vector<coord_t> events;
size_t ncols;
box->getEventsData(events, ncols);
- // 7 columns: I, err^2, run_num, det_id, h, k, l
- TS_ASSERT_EQUALS(ncols, 7);
- // 7*7 = 49
- TS_ASSERT_EQUALS(events.size(), 49);
- // reference vector
- const std::vector<coord_t> ref = {32369,
- 32369,
- 0,
- 3,
- -0.291194311172f,
- -0.291194311172f,
- 0.223000198347f,
- 31851,
- 31851,
- 0,
- 4,
- -0.359968893923f,
- -0.359968893923f,
- 0.247807429194f,
- 30221,
- 30221,
- 0,
- 5,
- -0.430031948245f,
- -0.430031948245f,
- 0.264160069153f,
- 26267,
- 26267,
- 0,
- 6,
- -0.500850251989f,
- -0.500850251989f,
- 0.271933664761f,
- 26788,
- 26788,
- 0,
- 7,
- -0.571884835101f,
- -0.571884835101f,
- 0.27106905426f,
- 29729,
- 29729,
- 0,
- 8,
- -0.642595081514f,
- -0.642595081514f,
- 0.26157281786f,
- 30188,
- 30188,
- 0,
- 9,
- -0.712442843555f,
- -0.712442843555f,
- 0.243517227652f};
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*7 = 56
+ TS_ASSERT_EQUALS(events.size(), 56);
double d(1.0e-06);
- for (auto i = 0; i < 49; i++) {
- TS_ASSERT_DELTA(events[i], ref[i], d);
+ for (auto i = 0; i < 56; i++) {
+ TS_ASSERT_DELTA(events[i], test_2ThetaLimits_ref[i], d);
}
AnalysisDataService::Instance().remove(outWSName);
@@ -963,26 +592,163 @@ public:
AnalysisDataService::Instance().remove(normWSName);
}
- void test_Load2() {
- // algorithm should load one file and skip the TOF file
+ void test_TOFWSStructure() {
+ std::string outWSName("LoadDNSSCDTest_OutputWS");
+ std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+
+ LoadDNSSCD alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize());
+ TS_ASSERT(alg.isInitialized());
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", outWSName));
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("NormalizationWorkspace", normWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-2.991993"));
+ TS_ASSERT_THROWS_NOTHING(alg.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ IMDEventWorkspace_sptr iws;
+ TS_ASSERT_THROWS_NOTHING(
+ iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ outWSName));
+ TS_ASSERT(iws);
+
+ TS_ASSERT_EQUALS(iws->getNumDims(), 4);
+ TS_ASSERT_EQUALS(iws->getNPoints(), 1968);
+ TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,4>");
+ // test some metadata
+ TS_ASSERT_EQUALS(iws->getNumExperimentInfo(), 1);
+ ExperimentInfo_sptr expinfo = iws->getExperimentInfo(0);
+ auto &run = expinfo->run();
+ TimeSeriesProperty<double> *p = dynamic_cast<TimeSeriesProperty<double> *>(
+ run.getProperty("TOF channels"));
+ TS_ASSERT_DELTA(p->firstValue(), 100, 1.0e-05);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(
+ run.getProperty("Time per channel"));
+ TS_ASSERT_DELTA(p->firstValue(), 40.1, 1.0e-05);
+ // test box controller
+ BoxController_sptr bc = iws->getBoxController();
+ TS_ASSERT(bc);
+ TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
+
+ // test dimensions
+ std::vector<std::string> v = {"H", "K", "L", "DeltaE"};
+ for (auto i = 0; i < 4; i++) {
+ auto dim = iws->getDimension(i);
+ TS_ASSERT(dim);
+ TS_ASSERT_EQUALS(dim->getName(), v[i]);
+ TS_ASSERT_EQUALS(dim->getNBins(), 5);
+ double d(1.0e-05);
+ TS_ASSERT_DELTA(dim->getMinimum(), -2.991993, d);
+ if (i < 3) {
+ TS_ASSERT_DELTA(dim->getMaximum(), 2.991993, d);
+ } else {
+ TS_ASSERT_DELTA(dim->getMaximum(), 4.637426, d);
+ }
+ }
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ void test_TOFWSData() {
+ // test whether the calculation for inelastic data are correct
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
- std::string filenames = "dn134011vana.d_dat,dnstof.d_dat";
LoadDNSSCD alg;
- alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
- TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", filenames));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("NormalizationWorkspace", normWSName));
TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 3.55));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 3.55));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 24.778));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", 0.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("TwoThetaLimits", "20.0,55.0"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-3.0"));
+ TS_ASSERT_THROWS_NOTHING(alg.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ IMDEventWorkspace_sptr iws;
+ TS_ASSERT_THROWS_NOTHING(
+ iws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ outWSName));
+ TS_ASSERT(iws);
+
+ std::vector<API::IMDNode *> boxes(0, NULL);
+ iws->getBoxes(boxes, 10000, false);
+ TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
+ API::IMDNode *box = boxes[0];
+ // there are 7 points (the rest is outside of 2theta limits)
+ TS_ASSERT_EQUALS(box->getNPoints(), 574);
+ std::vector<coord_t> events;
+ size_t ncols;
+ box->getEventsData(events, ncols);
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*574 = 4592
+ TS_ASSERT_EQUALS(events.size(), 4592);
+ double d(1.0e-06);
+ sort_Events(events);
+ for (auto i = 0; i < 82 * 8; i++) {
+ TS_ASSERT_DELTA(events[i], test_TOFWSData_ref[i], d);
+ }
+
+ AnalysisDataService::Instance().remove(outWSName);
+
+ // test the normalization workspace as well
+ IMDEventWorkspace_sptr nws;
+ TS_ASSERT_THROWS_NOTHING(
+ nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ normWSName));
+ TS_ASSERT(nws);
+ // there are 7 histograms (the rest is outside of 2theta limits)
+ TS_ASSERT_EQUALS(nws->getNPoints(), 574);
- // algorithm should throw only if no valid files is provided
- TS_ASSERT_THROWS_NOTHING(alg.execute());
+ AnalysisDataService::Instance().remove(normWSName);
+ }
+
+ void test_TOFWSDataRotateEPP() {
+ // test whether the calculation for inelastic data are correct
+
+ std::string outWSName("LoadDNSSCDTest_OutputWS");
+ std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+
+ LoadDNSSCD alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize());
+ TS_ASSERT(alg.isInitialized());
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("OutputWorkspace", outWSName));
+ TS_ASSERT_THROWS_NOTHING(
+ alg.setPropertyValue("NormalizationWorkspace", normWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 3.55));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 3.55));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 24.778));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("alpha", 90.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("beta", 90.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("gamma", 120.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("OmegaOffset", -43.0));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL1", "1,1,0"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("HKL2", "0,0,1"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("TwoThetaLimits", "25.0,60.0"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("DeltaEmin", "-3.0"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("ElasticChannel", "64"));
+ TS_ASSERT_THROWS_NOTHING(alg.execute(););
TS_ASSERT(alg.isExecuted());
// Retrieve the workspace from data service.
@@ -992,23 +758,52 @@ public:
outWSName));
TS_ASSERT(iws);
- TS_ASSERT_EQUALS(iws->getNumDims(), 3);
- TS_ASSERT_EQUALS(iws->getNPoints(), 24);
+ std::vector<API::IMDNode *> boxes(0, NULL);
+ iws->getBoxes(boxes, 10000, false);
+ TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
+ API::IMDNode *box = boxes[0];
+ // there are 7 points (the rest is outside of 2theta limits)
+ TS_ASSERT_EQUALS(box->getNPoints(), 574);
+ std::vector<coord_t> events;
+ size_t ncols;
+ box->getEventsData(events, ncols);
+ // 8 columns: I, err^2, run_num, det_id, h, k, l, dE
+ TS_ASSERT_EQUALS(ncols, 8);
+ // 8*574 = 4592
+ TS_ASSERT_EQUALS(events.size(), 4592);
+ double d(1.0e-06);
+ sort_Events(events);
+ for (auto i = 0; i < 82 * 8; i++) {
+ TS_ASSERT_DELTA(events[i], test_TOFWSDataRotateEPP_ref[i], d);
+ }
+
AnalysisDataService::Instance().remove(outWSName);
+
+ // test the normalization workspace as well
+ IMDEventWorkspace_sptr nws;
+ TS_ASSERT_THROWS_NOTHING(
+ nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ normWSName));
+ TS_ASSERT(nws);
+ // there are 7 points (the rest is outside of 2theta limits)
+ TS_ASSERT_EQUALS(nws->getNPoints(), 574);
+
+ AnalysisDataService::Instance().remove(normWSName);
}
//-------------------- Test failure --------------------------------------
void test_failTOF() {
- // algorithm does not load TOF files
+ // algorithm does not load files with different number of time channels
std::string outWSName("LoadDNSSCDTest_OutputWS");
std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+ std::string filenames = "dn134011vana.d_dat,dnstof.d_dat";
LoadDNSSCD alg;
alg.setRethrows(true);
TS_ASSERT_THROWS_NOTHING(alg.initialize());
TS_ASSERT(alg.isInitialized());
- TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", "dnstof.d_dat"));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", filenames));
TS_ASSERT_THROWS_NOTHING(
alg.setPropertyValue("OutputWorkspace", outWSName));
TS_ASSERT_THROWS_NOTHING(
diff --git a/Framework/MDAlgorithms/test/LoadDNSSCDTestReference.h b/Framework/MDAlgorithms/test/LoadDNSSCDTestReference.h
new file mode 100644
index 0000000000000000000000000000000000000000..9f13d18e02cfc003cb0fecd5846c47eaeb8ef95f
--- /dev/null
+++ b/Framework/MDAlgorithms/test/LoadDNSSCDTestReference.h
@@ -0,0 +1,268 @@
+#ifndef LOADDNSSCDTESTREFERENCE_H
+#define LOADDNSSCDTESTREFERENCE_H
+
+#include "MantidGeometry/MDGeometry/MDTypes.h"
+// clang-format makes the reference data unreadable, therefore
+// clang-format off
+const std::vector<Mantid::coord_t> test_DataWS_ref = {
+ 4366, 4366, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f, 0.0f,
+ 31461, 31461, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
+ 33314, 33314, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
+ 32369, 32369, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
+ 31851, 31851, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
+ 30221, 30221, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
+ 26267, 26267, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
+ 26788, 26788, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
+ 29729, 29729, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
+ 30188, 30188, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
+ 28116, 28116, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
+ 30277, 30277, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
+ 20231, 20231, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
+ 24538, 24538, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
+ 16416, 16416, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
+ 20225, 20225, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
+ 19957, 19957, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
+ 19570, 19570, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
+ 20743, 20743, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
+ 22758, 22758, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
+ 23001, 23001, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
+ 21836, 21836, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
+ 23877, 23877, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
+ 13340, 13340, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
+
+
+const std::vector<Mantid::coord_t> test_NormMonitor_ref = {
+ 8332872, 8332872, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f, 0.0f,
+ 8332872, 8332872, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
+ 8332872, 8332872, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
+ 8332872, 8332872, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
+ 8332872, 8332872, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
+ 8332872, 8332872, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
+ 8332872, 8332872, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
+ 8332872, 8332872, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
+ 8332872, 8332872, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
+ 8332872, 8332872, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
+ 8332872, 8332872, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
+ 8332872, 8332872, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
+ 8332872, 8332872, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
+ 8332872, 8332872, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
+ 8332872, 8332872, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
+ 8332872, 8332872, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
+ 8332872, 8332872, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
+ 8332872, 8332872, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
+ 8332872, 8332872, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
+ 8332872, 8332872, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
+ 8332872, 8332872, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
+ 8332872, 8332872, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
+ 8332872, 8332872, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
+ 8332872, 8332872, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
+
+
+const std::vector<Mantid::coord_t> test_NormTime_ref = {
+ 600, 0, 0, 0, -0.09776273f, -0.09776273f, 0.10005156f, 0.0f,
+ 600, 0, 0, 1, -0.15959044f, -0.15959044f, 0.14884006f, 0.0f,
+ 600, 0, 0, 2, -0.224231616093f, -0.224231616093f, 0.189927174618f, 0.0f,
+ 600, 0, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
+ 600, 0, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
+ 600, 0, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
+ 600, 0, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
+ 600, 0, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
+ 600, 0, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
+ 600, 0, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f,
+ 600, 0, 0, 10, -0.78089653758f, -0.78089653758f, 0.217039697581f, 0.0f,
+ 600, 0, 0, 11, -0.847435189645f, -0.847435189645f, 0.182341737639f, 0.0f,
+ 600, 0, 0, 12, -0.911552400429f, -0.911552400429f, 0.13968742025f, 0.0f,
+ 600, 0, 0, 13, -0.972760199244f, -0.972760199244f, 0.089401370527f, 0.0f,
+ 600, 0, 0, 14, -1.03059275778f, -1.03059275778f, 0.0318662956709f, 0.0f,
+ 600, 0, 0, 15, -1.08460993535f, -1.08460993535f, -0.0324799276578f, 0.0f,
+ 600, 0, 0, 16, -1.13440062862f, -1.13440062862f, -0.103147585846f, 0.0f,
+ 600, 0, 0, 17, -1.17958590034f, -1.17958590034f, -0.179598855345f, 0.0f,
+ 600, 0, 0, 18, -1.21982186332f, -1.21982186332f, -0.261251895832f, 0.0f,
+ 600, 0, 0, 19, -1.25480229757f, -1.25480229757f, -0.347485278364f, 0.0f,
+ 600, 0, 0, 20, -1.28426098088f, -1.28426098088f, -0.437642714831f, 0.0f,
+ 600, 0, 0, 21, -1.30797371487f, -1.30797371487f, -0.531038052704f, 0.0f,
+ 600, 0, 0, 22, -1.32576003133f, -1.32576003133f, -0.626960497068f, 0.0f,
+ 600, 0, 0, 23, -1.33748456564f, -1.33748456564f, -0.724680020201f, 0.0f};
+
+
+const std::vector<Mantid::coord_t> test_2ThetaLimits_ref = {
+ 32369, 32369, 0, 3, -0.291194311172f, -0.291194311172f, 0.223000198347f, 0.0f,
+ 31851, 31851, 0, 4, -0.359968893923f, -0.359968893923f, 0.247807429194f, 0.0f,
+ 30221, 30221, 0, 5, -0.430031948245f, -0.430031948245f, 0.264160069153f, 0.0f,
+ 26267, 26267, 0, 6, -0.500850251989f, -0.500850251989f, 0.271933664761f, 0.0f,
+ 26788, 26788, 0, 7, -0.571884835101f, -0.571884835101f, 0.27106905426f, 0.0f,
+ 29729, 29729, 0, 8, -0.642595081514f, -0.642595081514f, 0.26157281786f, 0.0f,
+ 30188, 30188, 0, 9, -0.712442843555f, -0.712442843555f, 0.243517227652f, 0.0f};
+
+// reference vector, EPP is wrong, since no elastic channel is given
+const std::vector<Mantid::coord_t> test_TOFWSData_ref = {
+ 0, 0, 0, 3, -0.0943541043211f, -0.0943541043211f, 2.51817307323f, -2.22473993186f, //0
+ 0, 0, 0, 3, -0.105491719946f, -0.105491719946f, 2.18460421817f, -1.53897441518f, //1
+ 0, 0, 0, 3, -0.115542738924f, -0.115542738924f, 1.88357866605f, -0.951095651067f, //2
+ 0, 0, 0, 3, -0.124658779393f, -0.124658779393f, 1.61055549086f, -0.443322919741f, //3
+ 0, 0, 0, 3, -0.132964505153f, -0.132964505153f, 1.36180104236f, -0.00173676689289f, //4
+ 0, 0, 0, 3, -0.140563360636f, -0.140563360636f, 1.13421718522f, 0.384685191257f, //5
+ 0, 0, 0, 3, -0.147541901385f, -0.147541901385f, 0.925211602133f, 0.724762824962f, //6
+ 0, 0, 0, 3, -0.153973105606f, -0.153973105606f, 0.732598613797f, 1.02562126597f, //7
+ 0, 0, 0, 3, -0.159918935922f, -0.159918935922f, 0.55452245477f, 1.29306717609f, //8
+ 0, 0, 0, 3, -0.165432342216f, -0.165432342216f, 0.389397289126f, 1.53187104043f, //9
+ 0, 0, 0, 3, -0.170558842805f, -0.170558842805f, 0.235859854405f, 1.7459813825f, //10
+ 0, 0, 0, 3, -0.175337784032f, -0.175337784032f, 0.0927317372921f, 1.93868903792f, //11
+ 0, 0, 0, 3, -0.179803352064f, -0.179803352064f, -0.0410109295185f, 2.11275436309f, //12
+ 0, 0, 0, 3, -0.183985391967f, -0.183985391967f, -0.166261998436f, 2.27050663742f, //13
+ 0, 0, 0, 3, -0.187910075568f, -0.187910075568f, -0.283805309267f, 2.41392239469f, //14
+ 0, 0, 0, 3, -0.1916004497f, -0.1916004497f, -0.394331109003f, 2.54468763779f, //15
+ 0, 0, 0, 3, -0.1950768891f, -0.1950768891f, -0.498449616001f, 2.664247618f, //16
+ 0, 0, 0, 3, -0.198357472759f, -0.198357472759f, -0.596702291619f, 2.77384694056f, //17
+ 0, 0, 0, 3, -0.20145829841f, -0.20145829841f, -0.689571258983f, 2.87456208674f, //18
+ 0, 0, 0, 3, -0.204393746692f, -0.204393746692f, -0.777487214755f, 2.96732794808f, //19
+ 0, 0, 0, 3, -0.207176704155f, -0.207176704155f, -0.86083610789f, 3.05295960034f, //20
+ 0, 0, 0, 3, -0.209818752378f, -0.209818752378f, -0.939964803903f, 3.13217026882f, //21
+ 0, 0, 0, 3, -0.212330329085f, -0.212330329085f, -1.01518590999f, 3.20558622767f, //22
+ 0, 0, 0, 3, -0.214720865951f, -0.214720865951f, -1.08678190253f, 3.27375921711f, //23
+ 0, 0, 0, 3, -0.216998906964f, -0.216998906964f, -1.15500867189f, 3.33717683991f, //24
+ 0, 0, 0, 3, -0.219172210459f, -0.219172210459f, -1.2200985783f, 3.39627130464f, //25
+ 0, 0, 0, 3, -0.221247837392f, -0.221247837392f, -1.28226309565f, 3.45142680925f, //26
+ 0, 0, 0, 3, -0.223232227977f, -0.223232227977f, -1.34169510674f, 3.5029858015f, //27
+ 0, 0, 0, 3, -0.225131268429f, -0.225131268429f, -1.39857090231f, 3.55125430721f, //28
+ 0, 0, 0, 3, -0.226950349283f, -0.226950349283f, -1.45305192753f, 3.59650648186f, //29
+ 0, 0, 0, 3, -0.228694416494f, -0.228694416494f, -1.50528631254f, 3.63898851198f, //30
+ 0, 0, 0, 3, -0.230368016343f, -0.230368016343f, -1.55541021734f, 3.67892197067f, //31
+ 0, 0, 0, 3, -0.231975335009f, -0.231975335009f, -1.60354901701f, 3.71650671254f, //32
+ 0, 0, 0, 3, -0.233520233533f, -0.233520233533f, -1.64981834872f, 3.75192337916f, //33
+ 0, 0, 0, 3, -0.23500627878f, -0.23500627878f, -1.69432503923f, 3.78533557363f, //34
+ 0, 0, 0, 3, -0.236436770934f, -0.236436770934f, -1.73716792823f, 3.81689175332f, //35
+ 0, 0, 0, 3, -0.237814767963f, -0.237814767963f, -1.77843860111f, 3.84672688183f, //36
+ 0, 0, 0, 3, -0.239143107441f, -0.239143107441f, -1.81822204254f, 3.87496387446f, //37
+ 0, 0, 0, 3, -0.240424426052f, -0.240424426052f, -1.85659722056f, 3.90171486617f, //38
+ 0, 0, 0, 3, -0.24166117706f, -0.24166117706f, -1.89363760977f, 3.92708232664f, //39
+ 0, 0, 0, 3, -0.242855645982f, -0.242855645982f, -1.92941166089f, 3.95116004298f, //40
+ 1, 1, 0, 3, -0.244009964688f, -0.244009964688f, -1.9639832229f, 3.97403398783f, //41
+ 1, 1, 0, 3, -0.245126124099f, -0.245126124099f, -1.99741192336f, 3.99578308789f, //42
+ 0, 0, 0, 3, -0.246205985642f, -0.246205985642f, -2.0297535116f, 4.01647990566f,
+ 2, 2, 0, 3, -0.247251291615f, -0.247251291615f, -2.06106016902f, 4.03619124547f,
+ 0, 0, 0, 3, -0.248263674566f, -0.248263674566f, -2.09138078999f, 4.05497869322f,
+ 2, 2, 0, 3, -0.249244665798f, -0.249244665798f, -2.12076123667f, 4.07289909803f,
+ 6, 6, 0, 3, -0.250195703099f, -0.250195703099f, -2.14924457046f, 4.09000500276f, //EPP
+ 3, 3, 0, 3, -0.251118137774f, -0.251118137774f, -2.17687126264f, 4.10634502964f,
+ 0, 0, 0, 3, -0.252013241051f, -0.252013241051f, -2.20367938617f, 4.12196422612f,
+ 0, 0, 0, 3, -0.252882209926f, -0.252882209926f, -2.22970479075f, 4.1369043757f,
+ 0, 0, 0, 3, -0.253726172503f, -0.253726172503f, -2.25498126284f, 4.15120427767f,
+ 0, 0, 0, 3, -0.254546192879f, -0.254546192879f, -2.27954067188f, 4.16489999925f,
+ 0, 0, 0, 3, -0.255343275622f, -0.255343275622f, -2.30341310445f, 4.17802510323f,
+ 0, 0, 0, 3, -0.256118369875f, -0.256118369875f, -2.32662698715f, 4.19061085383f,
+ 0, 0, 0, 3, -0.256872373129f, -0.256872373129f, -2.34920919958f, 4.20268640299f,
+ 0, 0, 0, 3, -0.257606134684f, -0.257606134684f, -2.37118517811f, 4.2142789594f,
+ 0, 0, 0, 3, -0.258320458847f, -0.258320458847f, -2.39257901152f, 4.22541394183f,
+ 0, 0, 0, 3, -0.259016107869f, -0.259016107869f, -2.41341352902f, 4.23611511866f,
+ 0, 0, 0, 3, -0.259693804658f, -0.259693804658f, -2.43371038155f, 4.24640473475f,
+ 0, 0, 0, 3, -0.260354235286f, -0.260354235286f, -2.45349011683f, 4.25630362721f,
+ 0, 0, 0, 3, -0.260998051308f, -0.260998051308f, -2.4727722487f, 4.2658313309f,
+ 0, 0, 0, 3, -0.2616258719f, -0.2616258719f, -2.49157532139f, 4.27500617494f,
+ 0, 0, 0, 3, -0.262238285852f, -0.262238285852f, -2.50991696898f, 4.2838453709f,
+ 0, 0, 0, 3, -0.262835853406f, -0.262835853406f, -2.52781397058f, 4.2923650936f,
+ 0, 0, 0, 3, -0.263419107964f, -0.263419107964f, -2.54528230147f, 4.30058055512f,
+ 0, 0, 0, 3, -0.26398855768f, -0.26398855768f, -2.56233718075f, 4.3085060728f,
+ 0, 0, 0, 3, -0.264544686935f, -0.264544686935f, -2.57899311548f, 4.31615513161f,
+ 0, 0, 0, 3, -0.265087957711f, -0.265087957711f, -2.5952639419f, 4.32354044159f,
+ 0, 0, 0, 3, -0.265618810868f, -0.265618810868f, -2.61116286371f, 4.33067399066f,
+ 0, 0, 0, 3, -0.266137667344f, -0.266137667344f, -2.62670248786f, 4.33756709332f,
+ 0, 0, 0, 3, -0.266644929262f, -0.266644929262f, -2.64189485783f, 4.34423043551f,
+ 0, 0, 0, 3, -0.267140980972f, -0.267140980972f, -2.65675148482f, 4.35067411606f,
+ 0, 0, 0, 3, -0.267626190022f, -0.267626190022f, -2.67128337679f, 4.35690768501f,
+ 0, 0, 0, 3, -0.268100908065f, -0.268100908065f, -2.6855010657f, 4.36294017896f,
+ 0, 0, 0, 3, -0.268565471711f, -0.268565471711f, -2.69941463291f, 4.3687801539f,
+ 0, 0, 0, 3, -0.269020203322f, -0.269020203322f, -2.7130337331f, 4.37443571549f,
+ 0, 0, 0, 3, -0.269465411759f, -0.269465411759f, -2.72636761653f, 4.37991454727f,
+ 0, 0, 0, 3, -0.269901393077f, -0.269901393077f, -2.73942515004f, 4.38522393675f,
+ 0, 0, 0, 3, -0.27032843119f, -0.27032843119f, -2.75221483671f, 4.39037079963f,
+ 0, 0, 0, 3, -0.270746798477f, -0.270746798477f, -2.76474483431f, 4.39536170235f,
+ 0, 0, 0, 3, -0.271156756372f, -0.271156756372f, -2.77702297266f, 4.40020288306f};
+
+// reference vector, EPP should be near dE=0
+const std::vector<Mantid::coord_t> test_TOFWSDataRotateEPP_ref = {
+ 0, 0, 0, 4, 0.0354153287653f, 0.0354153287653f, 3.30960431031f, -2.22473993186f,
+ 0, 0, 0, 4, 0.0119271789404f, 0.0119271789404f, 3.14246833446f, -1.53897441518f,
+ 1, 1, 0, 4, -0.00926944407241f, -0.00926944407241f, 2.99163830747f, -0.951095651067f,
+ 1, 1, 0, 4, -0.0284942882003f, -0.0284942882003f, 2.85483898067f, -0.443322919741f,
+ 1, 1, 0, 4, -0.0460102572946f, -0.0460102572946f, 2.73019959403f, -0.00173676689289f,
+ 3, 3, 0, 4, -0.0620355056149f, -0.0620355056149f, 2.61616781476f, 0.384685191257f,
+ 1, 1, 0, 4, -0.0767525703988f, -0.0767525703988f, 2.51144475217f, 0.724762824962f,
+ 1, 1, 0, 4, -0.0903153555918f, -0.0903153555918f, 2.41493526311f, 1.02562126597f,
+ 0, 0, 0, 4, -0.102854534355f, -0.102854534355f, 2.32570950908f, 1.29306717609f,
+ 0, 0, 0, 4, -0.114481772845f, -0.114481772845f, 2.24297290079f, 1.53187104043f,
+ 0, 0, 0, 4, -0.125293064774f, -0.125293064774f, 2.16604237028f, 1.7459813825f,
+ 0, 0, 0, 4, -0.135371387759f, -0.135371387759f, 2.09432746896f, 1.93868903792f,
+ 0, 0, 0, 4, -0.144788837105f, -0.144788837105f, 2.02731518411f, 2.11275436309f,
+ 0, 0, 0, 4, -0.153608353159f, -0.153608353159f, 1.96455764752f, 2.27050663742f,
+ 0, 0, 0, 4, -0.161885129764f, -0.161885129764f, 1.90566211317f, 2.41392239469f,
+ 0, 0, 0, 4, -0.169667770453f, -0.169667770453f, 1.85028273012f, 2.54468763779f,
+ 0, 0, 0, 4, -0.176999243565f, -0.176999243565f, 1.7981137461f, 2.664247618f,
+ 0, 0, 0, 4, -0.183917675938f, -0.183917675938f, 1.74888385976f, 2.77384694056f,
+ 0, 0, 0, 4, -0.190457016127f, -0.190457016127f, 1.70235150145f, 2.87456208674f,
+ 0, 0, 0, 4, -0.196647591505f, -0.196647591505f, 1.65830086891f, 2.96732794808f,
+ 0, 0, 0, 4, -0.202516578553f, -0.202516578553f, 1.61653858092f, 3.05295960034f,
+ 0, 0, 0, 4, -0.208088401699f, -0.208088401699f, 1.57689083915f, 3.13217026882f,
+ 0, 0, 0, 4, -0.213385073084f, -0.213385073084f, 1.53920101056f, 3.20558622767f,
+ 0, 0, 0, 4, -0.218426483198f, -0.218426483198f, 1.50332755925f, 3.27375921711f,
+ 0, 0, 0, 4, -0.223230650484f, -0.223230650484f, 1.46914227036f, 3.33717683991f,
+ 0, 0, 0, 4, -0.227813936514f, -0.227813936514f, 1.43652871888f, 3.39627130464f,
+ 0, 0, 0, 4, -0.232191232162f, -0.232191232162f, 1.405380945f, 3.45142680925f,
+ 0, 0, 0, 4, -0.236376119209f, -0.236376119209f, 1.37560230404f, 3.5029858015f,
+ 0, 0, 0, 4, -0.240381011115f, -0.240381011115f, 1.34710446484f, 3.55125430721f,
+ 0, 0, 0, 4, -0.244217275993f, -0.244217275993f, 1.31980653466f, 3.59650648186f,
+ 0, 0, 0, 4, -0.247895344381f, -0.247895344381f, 1.29363429232f, 3.63898851198f,
+ 0, 0, 0, 4, -0.251424803946f, -0.251424803946f, 1.26851951432f, 3.67892197067f,
+ 0, 0, 0, 4, -0.254814482933f, -0.254814482933f, 1.24439938099f, 3.71650671254f,
+ 0, 0, 0, 4, -0.258072523902f, -0.258072523902f, 1.22121595187f, 3.75192337916f,
+ 0, 0, 0, 4, -0.261206449024f, -0.261206449024f, 1.198915701f, 3.78533557363f,
+ 0, 0, 0, 4, -0.264223218067f, -0.264223218067f, 1.17744910437f, 3.81689175332f,
+ 0, 0, 0, 4, -0.267129279989f, -0.267129279989f, 1.15677027275f, 3.84672688183f,
+ 0, 0, 0, 4, -0.269930618959f, -0.269930618959f, 1.13683662426f, 3.87496387446f,
+ 0, 0, 0, 4, -0.272632795488f, -0.272632795488f, 1.11760859164f, 3.90171486617f,
+ 0, 0, 0, 4, -0.275240983267f, -0.275240983267f, 1.09904936015f, 3.92708232664f,
+ 0, 0, 0, 4, -0.277760002234f, -0.277760002234f, 1.08112463231f, 3.95116004298f,
+ 0, 0, 0, 4, -0.280194348295f, -0.280194348295f, 1.06380241632f, 3.97403398783f,
+ 0, 0, 0, 4, -0.282548220105f, -0.282548220105f, 1.04705283558f, 3.99578308789f,
+ 0, 0, 0, 4, -0.284825543238f, -0.284825543238f, 1.03084795664f, 4.01647990566f,
+ 0, 0, 0, 4, -0.287029992032f, -0.287029992032f, 1.01516163384f, 4.03619124547f,
+ 0, 0, 0, 4, -0.289165009367f, -0.289165009367f, 0.999969368441f, 4.05497869322f,
+ 0, 0, 0, 4, -0.291233824614f, -0.291233824614f, 0.985248181042f, 4.07289909803f,
+ 0, 0, 0, 4, -0.293239469931f, -0.293239469931f, 0.970976495549f, 4.09000500276f,
+ 0, 0, 0, 4, -0.295184795087f, -0.295184795087f, 0.957134033679f, 4.10634502964f,
+ 0, 0, 0, 4, -0.297072480979f, -0.297072480979f, 0.943701718828f, 4.12196422612f,
+ 0, 0, 0, 4, -0.298905051955f, -0.298905051955f, 0.930661588352f, 4.1369043757f,
+ 0, 0, 0, 4, -0.300684887075f, -0.300684887075f, 0.91799671343f, 4.15120427767f,
+ 0, 0, 0, 4, -0.302414230419f, -0.302414230419f, 0.905691125739f, 4.16489999925f,
+ 0, 0, 0, 4, -0.304095200523f, -0.304095200523f, 0.893729750291f, 4.17802510323f,
+ 0, 0, 0, 4, -0.305729799037f, -0.305729799037f, 0.882098343821f, 4.19061085383f,
+ 0, 0, 0, 4, -0.307319918681f, -0.307319918681f, 0.870783438208f, 4.20268640299f,
+ 0, 0, 0, 4, -0.308867350548f, -0.308867350548f, 0.859772288449f, 4.2142789594f,
+ 0, 0, 0, 4, -0.310373790843f, -0.310373790843f, 0.849052824778f, 4.22541394183f,
+ 0, 0, 0, 4, -0.311840847078f, -0.311840847078f, 0.838613608522f, 4.23611511866f,
+ 0, 0, 0, 4, -0.313270043798f, -0.313270043798f, 0.828443791396f, 4.24640473475f,
+ 0, 0, 0, 4, -0.314662827862f, -0.314662827862f, 0.81853307789f, 4.25630362721f,
+ 0, 0, 0, 4, -0.316020573333f, -0.316020573333f, 0.808871690511f, 4.2658313309f,
+ 0, 0, 0, 4, -0.317344585997f, -0.317344585997f, 0.799450337601f, 4.27500617494f,
+ 0, 0, 0, 4, -0.318636107553f, -0.318636107553f, 0.790260183535f, 4.2838453709f,
+ 0, 0, 0, 4, -0.319896319496f, -0.319896319496f, 0.781292821082f, 4.2923650936f,
+ 0, 0, 0, 4, -0.321126346721f, -0.321126346721f, 0.772540245755f, 4.30058055512f,
+ 0, 0, 0, 4, -0.322327260876f, -0.322327260876f, 0.763994831973f, 4.3085060728f,
+ 0, 0, 0, 4, -0.323500083472f, -0.323500083472f, 0.755649310912f, 4.31615513161f,
+ 0, 0, 0, 4, -0.324645788783f, -0.324645788783f, 0.747496749875f, 4.32354044159f,
+ 0, 0, 0, 4, -0.325765306543f, -0.325765306543f, 0.739530533091f, 4.33067399066f,
+ 0, 0, 0, 4, -0.326859524467f, -0.326859524467f, 0.731744343804f, 4.33756709332f,
+ 0, 0, 0, 4, -0.327929290594f, -0.327929290594f, 0.724132147574f, 4.34423043551f,
+ 0, 0, 0, 4, -0.328975415481f, -0.328975415481f, 0.716688176675f, 4.35067411606f,
+ 0, 0, 0, 4, -0.329998674249f, -0.329998674249f, 0.709406915523f, 4.35690768501f,
+ 0, 0, 0, 4, -0.330999808504f, -0.330999808504f, 0.702283087044f, 4.36294017896f,
+ 0, 0, 0, 4, -0.331979528123f, -0.331979528123f, 0.695311639923f, 4.3687801539f,
+ 0, 0, 0, 4, -0.332938512934f, -0.332938512934f, 0.688487736656f, 4.37443571549f,
+ 0, 0, 0, 4, -0.333877414294f, -0.333877414294f, 0.681806742359f, 4.37991454727f,
+ 0, 0, 0, 4, -0.334796856559f, -0.334796856559f, 0.675264214264f, 4.38522393675f,
+ 0, 0, 0, 4, -0.335697438469f, -0.335697438469f, 0.668855891874f, 4.39037079963f,
+ 0, 0, 0, 4, -0.336579734452f, -0.336579734452f, 0.662577687705f, 4.39536170235f,
+ 0, 0, 0, 4, -0.337444295843f, -0.337444295843f, 0.656425678595f, 4.40020288306f};
+
+// clang-format on
+#endif // LOADDNSSCDTESTREFERENCE_H
diff --git a/Framework/Muon/src/CalculateMuonAsymmetry.cpp b/Framework/Muon/src/CalculateMuonAsymmetry.cpp
index 6b85662dbad5878846cd9f3fcc5298eee627d3da..15f6af64f6797c63a769c9944860f57069a87646 100644
--- a/Framework/Muon/src/CalculateMuonAsymmetry.cpp
+++ b/Framework/Muon/src/CalculateMuonAsymmetry.cpp
@@ -80,6 +80,7 @@ void CalculateMuonAsymmetry::init() {
"MaxIterations", 500, mustBePositive->clone(),
"Stop after this number of iterations if a good fit is not found");
declareProperty("OutputStatus", "", Kernel::Direction::Output);
+ declareProperty("ChiSquared", 0.0, Kernel::Direction::Output);
declareProperty(make_unique<API::FunctionProperty>("OutputFunction",
Kernel::Direction::Output),
"The fitting function after fit.");
@@ -251,7 +252,8 @@ std::vector<double> CalculateMuonAsymmetry::getNormConstants(
fit->execute();
auto status = fit->getPropertyValue("OutputStatus");
setProperty("OutputStatus", status);
-
+ double chi2 = std::stod(fit->getPropertyValue("OutputChi2overDoF"));
+ setProperty("ChiSquared", chi2);
API::IFunction_sptr tmp = fit->getProperty("Function");
setProperty("OutputFunction", tmp);
try {
diff --git a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Converters/ContainerDtype.h b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Converters/ContainerDtype.h
index ba5428819b01be68143c591c6cb625844f89cbd9..a356083e3d1e290aad15b542d17bcc4b50121993 100644
--- a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Converters/ContainerDtype.h
+++ b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Converters/ContainerDtype.h
@@ -8,7 +8,7 @@
ContainerDtype Header File
A helper free function to allow identification of data type being used by
- providing a numpy friendly string.
+ providing a numpy friendly string (using the numpy array interface).
@author Lamar Moore STFC, Bhuvan Bezawada STFC
@date 21/06/2018
@@ -43,29 +43,13 @@ namespace Converters {
template <template <class> class Container, typename HeldType>
std::string dtype(const Container<HeldType> &) {
if (std::is_same<HeldType, bool>::value) {
- return "bool_";
- } else if (std::is_same<HeldType, short>::value) {
- return "int16";
- } else if (std::is_same<HeldType, std::int8_t>::value) {
- return "int8";
- } else if (std::is_same<HeldType, std::int16_t>::value) {
- return "int16";
- } else if (std::is_same<HeldType, std::int32_t>::value) {
- return "int32";
- } else if (std::is_same<HeldType, std::int64_t>::value) {
- return "int64";
- } else if (std::is_same<HeldType, long>::value) {
- return "int_";
- } else if (std::is_same<HeldType, long long>::value) {
- return "int64";
- } else if (std::is_same<HeldType, float>::value) {
- return "float32";
- } else if (std::is_same<HeldType, double>::value) {
- return "float64";
- } else if (std::is_same<HeldType, std::string>::value) {
- return "string_";
+ return "b";
+ } else if (std::is_integral<HeldType>::value) {
+ return "i";
+ } else if (std::is_floating_point<HeldType>::value) {
+ return "f";
} else {
- return "object_";
+ return "O";
}
}
diff --git a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/PropertyWithValueExporter.h b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/PropertyWithValueExporter.h
index 6254785d87f458ef42cfe257b964a9627b3896c2..2270d5c0425acaf2d5e954bfe6fa0397f26c4aa4 100644
--- a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/PropertyWithValueExporter.h
+++ b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/PropertyWithValueExporter.h
@@ -37,6 +37,15 @@
// Call the dtype helper function
template <typename HeldType>
std::string dtype(Mantid::Kernel::PropertyWithValue<HeldType> &self) {
+ // Check for the special case of a string
+ if (std::is_same<HeldType, std::string>::value) {
+ std::stringstream ss;
+ std::string val = self.value();
+ ss << "S" << val.size();
+ std::string ret_val = ss.str();
+ return ret_val;
+ }
+
return Mantid::PythonInterface::Converters::dtype(self);
}
diff --git a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h
index 9b4f222e2ca53a3f888f68abb26f377aaefd5f60..b591c6c6c0b67b51a67f4aae0197d0a4797b6d3a 100644
--- a/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h
+++ b/Framework/PythonInterface/inc/MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h
@@ -1,5 +1,5 @@
-#ifndef MANTID_PYTHONINTERFACE_PROEPRTYWITHVALUEFACTORY_H_
-#define MANTID_PYTHONINTERFACE_PROEPRTYWITHVALUEFACTORY_H_
+#ifndef MANTID_PYTHONINTERFACE_PROPERTYWITHVALUEFACTORY_H_
+#define MANTID_PYTHONINTERFACE_PROPERTYWITHVALUEFACTORY_H_
/**
Copyright © 2011 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
@@ -26,8 +26,8 @@
// Includes
//-----------------------------------------------------------------------------
#include "MantidPythonInterface/kernel/Registry/PropertyValueHandler.h"
+#include <boost/python/list.hpp>
#include <memory>
-#include <string>
namespace Mantid {
//---------------------------------------------------------------------------
@@ -53,6 +53,10 @@ public:
create(const std::string &name, const boost::python::object &defaultValue,
const unsigned int direction);
+ static std::unique_ptr<Kernel::Property>
+ createTimeSeries(const std::string &name,
+ const boost::python::list &defaultValue);
+
private:
/// Return a handler that maps the python type to a C++ type
static const PropertyValueHandler &lookup(PyObject *const object);
@@ -63,4 +67,4 @@ private:
} // namespace PythonInterface
} // namespace Mantid
-#endif // MANTID_PYTHONINTERFACE_PROEPRTYWITHVALUEFACTORY_H_
+#endif // MANTID_PYTHONINTERFACE_PROPERTYWITHVALUEFACTORY_H_
diff --git a/Framework/PythonInterface/mantid/api/CMakeLists.txt b/Framework/PythonInterface/mantid/api/CMakeLists.txt
index ceff8f34f5952a884bdab6b4a3647aab6589758b..61c8df4b654716aa66e216fef51f6f7a46c84030 100644
--- a/Framework/PythonInterface/mantid/api/CMakeLists.txt
+++ b/Framework/PythonInterface/mantid/api/CMakeLists.txt
@@ -14,7 +14,6 @@ set ( EXPORT_FILES
src/Exports/AlgorithmHistory.cpp
src/Exports/CatalogManager.cpp
src/Exports/CatalogSession.cpp
- src/Exports/DetectorInfo.cpp
src/Exports/DeprecatedAlgorithmChecker.cpp
src/Exports/Algorithm.cpp
src/Exports/DataProcessorAlgorithm.cpp
@@ -55,6 +54,7 @@ set ( EXPORT_FILES
src/Exports/WorkspaceValidators.cpp
src/Exports/ADSValidator.cpp
src/Exports/InstrumentValidator.cpp
+ src/Exports/OrientedLatticeValidator.cpp
src/Exports/Axis.cpp
src/Exports/IPeak.cpp
src/Exports/BoxController.cpp
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/DetectorInfo.cpp b/Framework/PythonInterface/mantid/api/src/Exports/DetectorInfo.cpp
deleted file mode 100644
index cb2aa1c730016998cff493bd39b38bc1c9cf5d7f..0000000000000000000000000000000000000000
--- a/Framework/PythonInterface/mantid/api/src/Exports/DetectorInfo.cpp
+++ /dev/null
@@ -1,26 +0,0 @@
-#include "MantidGeometry/Instrument/DetectorInfo.h"
-#include <boost/python/class.hpp>
-
-using Mantid::Geometry::DetectorInfo;
-using namespace boost::python;
-
-void export_DetectorInfo() {
- // WARNING DetectorInfo is work in progress and not ready for exposing more of
- // its functionality to Python, and should not yet be used in user scripts. DO
- // NOT ADD EXPORTS TO OTHER METHODS without contacting the team working on
- // Instrument-2.0.
- bool (DetectorInfo::*isMonitor)(const size_t) const =
- &DetectorInfo::isMonitor;
- bool (DetectorInfo::*isMasked)(const size_t) const = &DetectorInfo::isMasked;
- class_<DetectorInfo, boost::noncopyable>("DetectorInfo", no_init)
- .def("__len__", &DetectorInfo::size, (arg("self")),
- "Returns the size of the DetectorInfo, i.e., the number of "
- "detectors in the instrument.")
- .def("size", &DetectorInfo::size, (arg("self")),
- "Returns the size of the DetectorInfo, i.e., the number of "
- "detectors in the instrument.")
- .def("isMonitor", isMonitor, (arg("self"), arg("index")),
- "Returns True if the detector is a monitor.")
- .def("isMasked", isMasked, (arg("self"), arg("index")),
- "Returns True if the detector is masked.");
-}
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/ExperimentInfo.cpp b/Framework/PythonInterface/mantid/api/src/Exports/ExperimentInfo.cpp
index 237397700903b022f28c1b59d178ee455291164c..459a987c54318dffd3c2f2436c93ded403f5b046 100644
--- a/Framework/PythonInterface/mantid/api/src/Exports/ExperimentInfo.cpp
+++ b/Framework/PythonInterface/mantid/api/src/Exports/ExperimentInfo.cpp
@@ -75,7 +75,8 @@ void export_ExperimentInfo() {
.def("detectorInfo", &ExperimentInfo::detectorInfo,
return_value_policy<reference_existing_object>(), args("self"),
- "Return a const reference to the :class:`~mantid.api.DetectorInfo` "
+ "Return a const reference to the "
+ ":class:`~mantid.geometry.DetectorInfo` "
"object.")
.def("spectrumInfo", &ExperimentInfo::spectrumInfo,
return_value_policy<reference_existing_object>(), args("self"),
diff --git a/Framework/PythonInterface/mantid/api/src/Exports/OrientedLatticeValidator.cpp b/Framework/PythonInterface/mantid/api/src/Exports/OrientedLatticeValidator.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..fd6a74a50a1c96b043a6daa73aba8cc9671cb7c3
--- /dev/null
+++ b/Framework/PythonInterface/mantid/api/src/Exports/OrientedLatticeValidator.cpp
@@ -0,0 +1,19 @@
+#include "MantidAPI/OrientedLatticeValidator.h"
+#include "MantidPythonInterface/kernel/TypedValidatorExporter.h"
+#include <boost/python/class.hpp>
+
+using namespace Mantid::API;
+using Mantid::PythonInterface::TypedValidatorExporter;
+using namespace boost::python;
+
+// This is typed on the ExperimentInfo class
+void export_OrientedLatticeValidator() {
+ TypedValidatorExporter<ExperimentInfo_sptr>::define(
+ "OrientedLatticeValidator");
+
+ class_<OrientedLatticeValidator,
+ bases<Mantid::Kernel::TypedValidator<ExperimentInfo_sptr>>,
+ boost::noncopyable>(
+ "OrientedLatticeValidator",
+ init<>("Checks that the workspace has an orientation matrix defined"));
+}
diff --git a/Framework/PythonInterface/mantid/dataobjects/src/Exports/EventList.cpp b/Framework/PythonInterface/mantid/dataobjects/src/Exports/EventList.cpp
index 538a8620ec61f2304ecaf2e98d1b8f46a98d26dd..9b810b94f2d69191f6c87c609bdbaa5d8a4c8041 100644
--- a/Framework/PythonInterface/mantid/dataobjects/src/Exports/EventList.cpp
+++ b/Framework/PythonInterface/mantid/dataobjects/src/Exports/EventList.cpp
@@ -2,6 +2,7 @@
#include "MantidPythonInterface/kernel/GetPointer.h"
#include <boost/python/class.hpp>
#include <boost/python/register_ptr_to_python.hpp>
+#include <boost/python/return_arg.hpp>
using namespace boost::python;
using namespace Mantid::DataObjects;
@@ -22,5 +23,13 @@ void export_EventList() {
"EventList")
.def("addEventQuickly", &addEventToEventList,
args("self", "tof", "pulsetime"),
- "Create TofEvent and add to EventList.");
+ "Create TofEvent and add to EventList.")
+ .def("__iadd__",
+ (EventList & (EventList::*)(const EventList &)) &
+ EventList::operator+=,
+ return_self<>(), (arg("self"), arg("other")))
+ .def("__isub__",
+ (EventList & (EventList::*)(const EventList &)) &
+ EventList::operator-=,
+ return_self<>(), (arg("self"), arg("other")));
}
diff --git a/Framework/PythonInterface/mantid/geometry/CMakeLists.txt b/Framework/PythonInterface/mantid/geometry/CMakeLists.txt
index 7034d098719d25ec1f94e1ce2e685de3c94b29db..4392273d5aea71c4a4f18d200f41f4d21dc46a75 100644
--- a/Framework/PythonInterface/mantid/geometry/CMakeLists.txt
+++ b/Framework/PythonInterface/mantid/geometry/CMakeLists.txt
@@ -38,6 +38,7 @@ set ( EXPORT_FILES
src/Exports/SymmetryOperationFactory.cpp
src/Exports/CrystalStructure.cpp
src/Exports/ReflectionGenerator.cpp
+ src/Exports/DetectorInfo.cpp
)
#############################################################################################
diff --git a/Framework/PythonInterface/mantid/geometry/src/Exports/DetectorInfo.cpp b/Framework/PythonInterface/mantid/geometry/src/Exports/DetectorInfo.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..0952b0c8ae7c834a715660f135e7e070eae26049
--- /dev/null
+++ b/Framework/PythonInterface/mantid/geometry/src/Exports/DetectorInfo.cpp
@@ -0,0 +1,72 @@
+#include "MantidGeometry/Instrument/DetectorInfo.h"
+#include "MantidKernel/Quat.h"
+#include "MantidKernel/V3D.h"
+#include <boost/python/class.hpp>
+#include <boost/python/copy_const_reference.hpp>
+#include <boost/python/return_value_policy.hpp>
+
+using Mantid::Geometry::DetectorInfo;
+using Mantid::Kernel::Quat;
+using Mantid::Kernel::V3D;
+using namespace boost::python;
+
+void export_DetectorInfo() {
+
+ // Function pointers to distinguish between overloaded versions
+ bool (DetectorInfo::*isMonitor)(const size_t) const =
+ &DetectorInfo::isMonitor;
+
+ bool (DetectorInfo::*isMasked)(const size_t) const = &DetectorInfo::isMasked;
+
+ double (DetectorInfo::*twoTheta)(const size_t) const =
+ &DetectorInfo::twoTheta;
+
+ Mantid::Kernel::V3D (DetectorInfo::*position)(const size_t) const =
+ &DetectorInfo::position;
+
+ Mantid::Kernel::Quat (DetectorInfo::*rotation)(const size_t) const =
+ &DetectorInfo::rotation;
+
+ void (DetectorInfo::*setMasked)(const size_t, bool) =
+ &DetectorInfo::setMasked;
+
+ // Export to Python
+ class_<DetectorInfo, boost::noncopyable>("DetectorInfo", no_init)
+ .def("__len__", &DetectorInfo::size, (arg("self")),
+ "Returns the size of the DetectorInfo, i.e., the number of "
+ "detectors in the instrument.")
+
+ .def("size", &DetectorInfo::size, (arg("self")),
+ "Returns the size of the DetectorInfo, i.e., the number of "
+ "detectors in the instrument.")
+
+ .def("isMonitor", isMonitor, (arg("self"), arg("index")),
+ "Returns True if the detector is a monitor.")
+
+ .def("isMasked", isMasked, (arg("self"), arg("index")),
+ "Returns True if the detector is masked.")
+
+ .def("setMasked", setMasked, (arg("self"), arg("index"), arg("masked")),
+ "Set the mask flag of the detector where the detector is identified "
+ "by 'index'.")
+
+ .def("clearMaskFlags", &DetectorInfo::clearMaskFlags, (arg("self")),
+ "Sets all mask flags to false (unmasked).")
+
+ .def("isEquivalent", &DetectorInfo::isEquivalent,
+ (arg("self"), arg("other")),
+ "Returns True if the content of this "
+ "detector is equivalent to the content "
+ "of the other detector.")
+
+ .def("twoTheta", twoTheta, (arg("self"), arg("index")),
+ "Returns 2 theta (scattering angle w.r.t beam direction).")
+
+ .def("position", position, (arg("self"), arg("index")),
+ "Returns the absolute position of the detector where the detector "
+ "is identified by 'index'.")
+
+ .def("rotation", rotation, (arg("self"), arg("index")),
+ "Returns the absolute rotation of the detector where the detector "
+ "is identified by 'index'.");
+}
diff --git a/Framework/PythonInterface/mantid/kernel/CMakeLists.txt b/Framework/PythonInterface/mantid/kernel/CMakeLists.txt
index b8ce08e9069086e3ec66795771b1c7875e46226e..ca639abb8e96d43ade974d3463057629f8b535ec 100644
--- a/Framework/PythonInterface/mantid/kernel/CMakeLists.txt
+++ b/Framework/PythonInterface/mantid/kernel/CMakeLists.txt
@@ -60,6 +60,7 @@ set ( EXPORT_FILES
src/Exports/UsageService.cpp
src/Exports/Atom.cpp
src/Exports/StringContainsValidator.cpp
+ src/Exports/PropertyFactory.cpp
)
set ( MODULE_DEFINITION ${CMAKE_CURRENT_BINARY_DIR}/kernel.cpp )
diff --git a/Framework/PythonInterface/mantid/kernel/funcinspect.py b/Framework/PythonInterface/mantid/kernel/funcinspect.py
index 1da6e1e69032960d9efbe82e1d7f32b0642e09b0..8f6354b1287e2f690d7605ca567e13c636525bd7 100644
--- a/Framework/PythonInterface/mantid/kernel/funcinspect.py
+++ b/Framework/PythonInterface/mantid/kernel/funcinspect.py
@@ -148,7 +148,7 @@ __operator_names = set(['CALL_FUNCTION', 'CALL_FUNCTION_VAR', 'CALL_FUNCTION_KW'
'INPLACE_MODULO', 'INPLACE_ADD', 'INPLACE_SUBTRACT',
'INPLACE_LSHIFT','INPLACE_RSHIFT','INPLACE_AND', 'INPLACE_XOR',
'INPLACE_OR', 'COMPARE_OP',
- 'CALL_FUNCTION_EX'])
+ 'CALL_FUNCTION_EX', 'LOAD_METHOD', 'CALL_METHOD'])
#--------------------------------------------------------------------------------------
def process_frame(frame):
diff --git a/Framework/PythonInterface/mantid/kernel/src/Exports/ArrayProperty.cpp b/Framework/PythonInterface/mantid/kernel/src/Exports/ArrayProperty.cpp
index c765253ae931cb167a601d4dbf2a6530cee44265..3dab4e7248a82d8072dc5f2f447cd629ad4d4d34 100644
--- a/Framework/PythonInterface/mantid/kernel/src/Exports/ArrayProperty.cpp
+++ b/Framework/PythonInterface/mantid/kernel/src/Exports/ArrayProperty.cpp
@@ -33,6 +33,35 @@ template <typename type> std::string dtype(ArrayProperty<type> &self) {
return Converters::dtype(self);
}
+// Check for the special case of a string
+template <> std::string dtype(ArrayProperty<std::string> &self) {
+ // Get a vector of all the strings
+ std::vector<std::string> values = self();
+
+ // Vector of ints to store the sizes of each of the strings
+ std::vector<size_t> stringSizes;
+
+ // Block allocate memory
+ stringSizes.reserve(self.size());
+
+ // Loop for the number of strings
+ // For each string store the number of characters
+ for (auto val : values) {
+ auto size = val.size();
+ stringSizes.emplace_back(size);
+ }
+
+ // Find the maximum number of characters
+ size_t max =
+ *std::max_element(std::begin(stringSizes), std::end(stringSizes));
+
+ // Create the string to return
+ std::stringstream ss;
+ ss << "S" << max;
+ std::string retVal = ss.str();
+ return retVal;
+}
+
#define EXPORT_ARRAY_PROP(type, prefix) \
class_<ArrayProperty<type>, bases<PropertyWithValue<std::vector<type>>>, \
boost::noncopyable>(#prefix "ArrayProperty", no_init) \
diff --git a/Framework/PythonInterface/mantid/kernel/src/Exports/PropertyFactory.cpp b/Framework/PythonInterface/mantid/kernel/src/Exports/PropertyFactory.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..8e3f145c4238923e32eb696e72c465d91878f7cf
--- /dev/null
+++ b/Framework/PythonInterface/mantid/kernel/src/Exports/PropertyFactory.cpp
@@ -0,0 +1,38 @@
+#include "MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h"
+#include "MantidPythonInterface/kernel/Registry/SequenceTypeHandler.h"
+#include "MantidPythonInterface/kernel/Registry/TypedPropertyValueHandler.h"
+
+#include <boost/python/class.hpp>
+#include <boost/python/manage_new_object.hpp>
+#include <boost/python/register_ptr_to_python.hpp>
+#include <boost/python/return_value_policy.hpp>
+
+using Mantid::Kernel::Property;
+using Mantid::PythonInterface::Registry::PropertyWithValueFactory;
+using namespace boost::python;
+
+// Empty class definition
+class PropertyFactory {};
+
+// Helper namespace
+namespace propertyFactoryHelper {
+
+// Helper function to remove unique pointer and return a raw pointer
+Property *removeUniquePointer(const std::string &name,
+ const boost::python::list &defaultValue) {
+
+ // Get the unique pointer from the factory and convert it into a raw pointer
+ auto ptr = PropertyWithValueFactory::createTimeSeries(name, defaultValue);
+
+ return ptr.release();
+}
+} // namespace propertyFactoryHelper
+
+// Export the PropertyFactory
+void export_PropertyFactory() {
+ class_<PropertyFactory, boost::noncopyable>("PropertyFactory", no_init)
+ .def("createTimeSeries", &propertyFactoryHelper::removeUniquePointer,
+ arg("log_name"), arg("log_values"),
+ return_value_policy<manage_new_object>())
+ .staticmethod("createTimeSeries");
+}
diff --git a/Framework/PythonInterface/mantid/kernel/src/Exports/TimeSeriesProperty.cpp b/Framework/PythonInterface/mantid/kernel/src/Exports/TimeSeriesProperty.cpp
index 1d279c71e452db4315d262945a3a96854af0d97e..747aa190f702724de5c4485c90762c2dbf92f1ab 100644
--- a/Framework/PythonInterface/mantid/kernel/src/Exports/TimeSeriesProperty.cpp
+++ b/Framework/PythonInterface/mantid/kernel/src/Exports/TimeSeriesProperty.cpp
@@ -42,6 +42,33 @@ template <typename TYPE> std::string dtype(TimeSeriesProperty<TYPE> &self) {
return Mantid::PythonInterface::Converters::dtype(self);
}
+// Check for the special case of a string
+template <> std::string dtype(TimeSeriesProperty<std::string> &self) {
+ // Vector of ints to store the sizes of each of the strings
+ std::vector<size_t> stringSizes;
+
+ // Block allocate memory
+ stringSizes.reserve(self.size());
+
+ // Loop for the number of strings in self
+ for (int i = 0; i < self.size(); i++) {
+ // For each string store the number of characters
+ std::string val = self.nthValue(i);
+ size_t size = val.size();
+ stringSizes.emplace_back(size);
+ }
+
+ // Find the maximum number of characters
+ size_t max =
+ *std::max_element(std::begin(stringSizes), std::end(stringSizes));
+
+ // Create the string to return
+ std::stringstream ss;
+ ss << "S" << max;
+ std::string retVal = ss.str();
+ return retVal;
+}
+
// Macro to reduce copy-and-paste
#define EXPORT_TIMESERIES_PROP(TYPE, Prefix) \
register_ptr_to_python<TimeSeriesProperty<TYPE> *>(); \
diff --git a/Framework/PythonInterface/mantid/kernel/src/Registry/PropertyWithValueFactory.cpp b/Framework/PythonInterface/mantid/kernel/src/Registry/PropertyWithValueFactory.cpp
index 6a36d5fb6d89133990ec0a228e18a44c4cef0c1b..eefac49393bcb5bcc3d8dd2540593ef904baba09 100644
--- a/Framework/PythonInterface/mantid/kernel/src/Registry/PropertyWithValueFactory.cpp
+++ b/Framework/PythonInterface/mantid/kernel/src/Registry/PropertyWithValueFactory.cpp
@@ -3,15 +3,27 @@
//-----------------------------------------------------------------------------
#include "MantidPythonInterface/kernel/Registry/PropertyWithValueFactory.h"
#include "MantidKernel/PropertyWithValue.h"
+#include "MantidKernel/TimeSeriesProperty.h"
#include "MantidKernel/WarningSuppressions.h"
#include "MantidPythonInterface/kernel/Registry/MappingTypeHandler.h"
#include "MantidPythonInterface/kernel/Registry/SequenceTypeHandler.h"
#include "MantidPythonInterface/kernel/Registry/TypedPropertyValueHandler.h"
#include <boost/make_shared.hpp>
+#include <boost/python.hpp>
+#include <boost/python/class.hpp>
+#include <boost/python/extract.hpp>
+#include <boost/python/list.hpp>
+#include <boost/python/object.hpp>
#include <cassert>
+using Mantid::Kernel::TimeSeriesProperty;
+using Mantid::PythonInterface::Registry::PropertyWithValueFactory;
+using namespace boost::python;
+using namespace Mantid::Kernel;
+using namespace Mantid::PythonInterface;
+
namespace Mantid {
namespace PythonInterface {
namespace Registry {
@@ -139,6 +151,42 @@ PropertyWithValueFactory::create(const std::string &name,
return create(name, defaultValue, validator, direction);
}
+/**
+ * Creates a TimeSeriesProperty<Type> instance from the given information.
+ * The python type is mapped to a C type
+ * @param name :: The name of the property
+ * @param defaultValue :: A default value for this property.
+ * @returns A pointer to a new Property object
+ */
+std::unique_ptr<Mantid::Kernel::Property>
+PropertyWithValueFactory::createTimeSeries(const std::string &name,
+ const list &defaultValue) {
+
+ // Use a PyObject pointer to determine the type stored in the list
+ auto obj = object(defaultValue[0]).ptr();
+ auto val = defaultValue[0];
+
+ /**
+ * Decide which kind of TimeSeriesProperty to return
+ * Need to use a different method to check for boolean values
+ * since extract<> seems to get confused sometimes.
+ */
+ if (PyBool_Check(obj)) {
+ return Mantid::Kernel::make_unique<TimeSeriesProperty<bool>>(name);
+ } else if (extract<int>(val).check()) {
+ return Mantid::Kernel::make_unique<TimeSeriesProperty<int>>(name);
+ } else if (extract<double>(val).check()) {
+ return Mantid::Kernel::make_unique<TimeSeriesProperty<double>>(name);
+ } else if (extract<std::string>(val).check()) {
+ return Mantid::Kernel::make_unique<TimeSeriesProperty<std::string>>(name);
+ }
+
+ // If we reach here an error has occurred as there are no type to create
+ // a TimeSeriesProperty from
+ throw std::runtime_error(
+ "Cannot create a TimeSeriesProperty with that data type!");
+}
+
//-------------------------------------------------------------------------
// Private methods
//-------------------------------------------------------------------------
diff --git a/Framework/PythonInterface/plugins/algorithms/ExportSampleLogsToHDF5.py b/Framework/PythonInterface/plugins/algorithms/ExportSampleLogsToHDF5.py
index 4c5cbe388fedbb14f45b08449d7b28fa0508ef32..ef85ddedc9e768949b794ea9ada787b5d5666290 100644
--- a/Framework/PythonInterface/plugins/algorithms/ExportSampleLogsToHDF5.py
+++ b/Framework/PythonInterface/plugins/algorithms/ExportSampleLogsToHDF5.py
@@ -49,7 +49,7 @@ class ExportSampleLogsToHDF5(PythonAlgorithm):
if prop.name not in blacklist and not self._ignore_property(prop)]
for log_property in log_properties:
- property_dtype = self._dtype_from_property_type(log_property)
+ property_dtype = log_property.dtype()
log_value = self._get_value_from_property(log_property)
if log_value is None:
continue
@@ -58,18 +58,6 @@ class ExportSampleLogsToHDF5(PythonAlgorithm):
data=[log_value])
log_dataset.attrs["Units"] = log_property.units
- def _dtype_from_property_type(self, prop):
- if isinstance(prop, (FloatPropertyWithValue, FloatTimeSeriesProperty, FloatArrayProperty)):
- return "f"
- if isinstance(prop, (IntPropertyWithValue, Int32TimeSeriesProperty, Int64TimeSeriesProperty)):
- return "i"
- if isinstance(prop, (BoolPropertyWithValue, BoolTimeSeriesProperty)):
- return "b"
- if isinstance(prop, StringPropertyWithValue):
- return "S{}".format(len(prop.value))
- raise RuntimeError("Unrecognised property type: \"{}\". Please contact the development team with this message".
- format(prop.type))
-
def _get_value_from_property(self, prop):
if isinstance(prop, FloatArrayProperty):
if len(prop.value) > 0:
diff --git a/Framework/PythonInterface/plugins/algorithms/LRScalingFactors.py b/Framework/PythonInterface/plugins/algorithms/LRScalingFactors.py
index 85432d320798cf24b808636fe26af8c4171ccd66..236e92d55103eaeade54e4c54180d3c5918da1be 100644
--- a/Framework/PythonInterface/plugins/algorithms/LRScalingFactors.py
+++ b/Framework/PythonInterface/plugins/algorithms/LRScalingFactors.py
@@ -63,7 +63,9 @@ class LRScalingFactors(PythonAlgorithm):
"Pixel range defining the data peak")
self.declareProperty(IntArrayProperty("SignalBackgroundPixelRange", [147, 163]),
"Pixel range defining the background")
- self.declareProperty(IntArrayProperty("LowResolutionPixelRange", [94, 160]),
+ self.declareProperty(IntArrayProperty("LowResolutionPixelRange",
+ [Property.EMPTY_INT, Property.EMPTY_INT],
+ direction=Direction.Input),
"Pixel range defining the region to use in the low-resolution direction")
self.declareProperty("IncidentMedium", "Medium", doc="Name of the incident medium")
self.declareProperty("FrontSlitName", "S1", doc="Name of the front slit")
@@ -454,6 +456,12 @@ class LRScalingFactors(PythonAlgorithm):
@param background_range: range of pixels defining the background
@param low_res_range: range of pixels in the x-direction
"""
+ # Check low-res axis
+ if low_res_range[0] == Property.EMPTY_INT:
+ low_res_range[0] = 0
+ if low_res_range[1] == Property.EMPTY_INT:
+ low_res_range[1] = int(workspace.getInstrument().getNumberParameter("number-of-x-pixels")[0])-1
+
# Rebin TOF axis
tof_range = self.getProperty("TOFRange").value
tof_step = self.getProperty("TOFSteps").value
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/LoadWAND.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/LoadWAND.py
index f4f9aa7578416a6d32915769490f87d8f863ea35..101c8126ab11f88e8380e370218ffe633221f4e5 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/LoadWAND.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/LoadWAND.py
@@ -1,9 +1,11 @@
from __future__ import absolute_import, division, print_function
from mantid.api import DataProcessorAlgorithm, AlgorithmFactory, MultipleFileProperty, FileAction, WorkspaceProperty
-from mantid.kernel import Direction, UnitConversion, Elastic, Property, IntArrayProperty
-from mantid.simpleapi import (LoadEventNexus, Integration, mtd, SetGoniometer, DeleteWorkspace, AddSampleLog,
- MaskBTP, RenameWorkspace, GroupWorkspaces)
+from mantid.kernel import Direction, UnitConversion, Elastic, Property, IntArrayProperty, StringListValidator
+from mantid.simpleapi import (mtd, SetGoniometer, AddSampleLog, MaskBTP, RenameWorkspace, GroupWorkspaces,
+ CreateWorkspace, LoadNexusLogs, LoadInstrument)
from six.moves import range
+import numpy as np
+import h5py
class LoadWAND(DataProcessorAlgorithm):
@@ -22,6 +24,7 @@ class LoadWAND(DataProcessorAlgorithm):
self.declareProperty(IntArrayProperty("RunNumbers", []), 'Run numbers to load')
self.declareProperty("Wavelength", 1.488, doc="Wavelength to set the workspace")
self.declareProperty("ApplyMask", True, "If True standard masking will be applied to the workspace")
+ self.declareProperty("Grouping", 'None', StringListValidator(['None', '2x2', '4x4']), "Group pixels")
self.declareProperty(WorkspaceProperty(name="OutputWorkspace", defaultValue="", direction=Direction.Output))
def validateInputs(self):
@@ -44,11 +47,59 @@ class LoadWAND(DataProcessorAlgorithm):
outWS = self.getPropertyValue("OutputWorkspace")
group_names = []
+ grouping = self.getProperty("Grouping").value
+ if grouping == 'None':
+ grouping = 1
+ else:
+ grouping = 2 if grouping == '2x2' else 4
+
for i, run in enumerate(runs):
- LoadEventNexus(Filename=run, OutputWorkspace='__tmp_load', LoadMonitors=True, EnableLogging=False,
- startProgress=i/len(runs), endProgress=(i+0.8)/len(runs))
- Integration(InputWorkspace='__tmp_load', OutputWorkspace='__tmp_load', EnableLogging=False,
- startProgress=(i+0.8)/len(runs), endProgress=(i+1)/len(runs))
+ data = np.zeros((512*480*8),dtype=np.int64)
+ with h5py.File(run, 'r') as f:
+ monitor_count = f['/entry/monitor1/total_counts'].value[0]
+ run_number = f['/entry/run_number'].value[0]
+ for b in range(8):
+ data += np.bincount(f['/entry/bank'+str(b+1)+'_events/event_id'].value,minlength=512*480*8)
+ data = data.reshape((480*8, 512))
+ if grouping == 2:
+ data = data[::2,::2] + data[1::2,::2] + data[::2,1::2] + data[1::2,1::2]
+ elif grouping == 4:
+ data = (data[::4,::4] + data[1::4,::4] + data[2::4,::4] + data[3::4,::4]
+ + data[::4,1::4] + data[1::4,1::4] + data[2::4,1::4] + data[3::4,1::4]
+ + data[::4,2::4] + data[1::4,2::4] + data[2::4,2::4] + data[3::4,2::4]
+ + data[::4,3::4] + data[1::4,3::4] + data[2::4,3::4] + data[3::4,3::4])
+
+ CreateWorkspace(DataX=[wavelength-0.001, wavelength+0.001],
+ DataY=data,
+ DataE=np.sqrt(data),
+ UnitX='Wavelength',
+ YUnitLabel='Counts',
+ NSpec=1966080//grouping**2,
+ OutputWorkspace='__tmp_load', EnableLogging=False)
+ LoadNexusLogs('__tmp_load', Filename=run, EnableLogging=False)
+ AddSampleLog('__tmp_load', LogName="monitor_count", LogType='Number', NumberType='Double',
+ LogText=str(monitor_count), EnableLogging=False)
+ AddSampleLog('__tmp_load', LogName="gd_prtn_chrg", LogType='Number', NumberType='Double',
+ LogText=str(monitor_count), EnableLogging=False)
+ AddSampleLog('__tmp_load', LogName="Wavelength", LogType='Number', NumberType='Double',
+ LogText=str(wavelength), EnableLogging=False)
+ AddSampleLog('__tmp_load', LogName="Ei", LogType='Number', NumberType='Double',
+ LogText=str(UnitConversion.run('Wavelength', 'Energy', wavelength, 0, 0, 0, Elastic, 0)), EnableLogging=False)
+ AddSampleLog('__tmp_load', LogName="run_number", LogText=run_number, EnableLogging=False)
+
+ if grouping > 1: # Fix detector IDs per spectrum before loading instrument
+ __tmp_load = mtd['__tmp_load']
+ for n in range(__tmp_load.getNumberHistograms()):
+ s=__tmp_load.getSpectrum(n)
+ for i in range(grouping):
+ for j in range(grouping):
+ s.addDetectorID(int(n*grouping%512 + n//(512/grouping)*512*grouping + j + i*512))
+
+ LoadInstrument('__tmp_load', InstrumentName='WAND', RewriteSpectraMap=False, EnableLogging=False)
+ else:
+ LoadInstrument('__tmp_load', InstrumentName='WAND', RewriteSpectraMap=True, EnableLogging=False)
+
+ SetGoniometer('__tmp_load', Axis0="HB2C:Mot:s1,0,1,0,1", EnableLogging=False)
if self.getProperty("ApplyMask").value:
MaskBTP('__tmp_load', Pixel='1,2,511,512', EnableLogging=False)
@@ -58,20 +109,6 @@ class LoadWAND(DataProcessorAlgorithm):
else:
MaskBTP('__tmp_load', Bank='8', Tube='475-480', EnableLogging=False)
- mtd['__tmp_load'].getAxis(0).setUnit("Wavelength")
- w = [wavelength-0.001, wavelength+0.001]
- for idx in range(mtd['__tmp_load'].getNumberHistograms()):
- mtd['__tmp_load'].setX(idx, w)
-
- SetGoniometer('__tmp_load', Axis0="HB2C:Mot:s1,0,1,0,1", EnableLogging=False)
- AddSampleLog('__tmp_load', LogName="gd_prtn_chrg", LogType='Number', NumberType='Double',
- LogText=str(mtd['__tmp_load'+'_monitors'].getNumberEvents()), EnableLogging=False)
- DeleteWorkspace('__tmp_load'+'_monitors', EnableLogging=False)
-
- AddSampleLog('__tmp_load', LogName="Wavelength", LogType='Number', NumberType='Double',
- LogText=str(wavelength), EnableLogging=False)
- AddSampleLog('__tmp_load', LogName="Ei", LogType='Number', NumberType='Double',
- LogText=str(UnitConversion.run('Wavelength', 'Energy', wavelength, 0, 0, 0, Elastic, 0)), EnableLogging=False)
if len(runs) == 1:
RenameWorkspace('__tmp_load', outWS, EnableLogging=False)
else:
diff --git a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
index 2cc9e8cbf5c7ad07415e90c0395cd056b45391df..d0a59e59c21cdeae92f0b9b19b32d70dd6be0b98 100644
--- a/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/WANDPowderReduction.py
@@ -1,11 +1,13 @@
from __future__ import absolute_import, division, print_function
from mantid.api import (DataProcessorAlgorithm, AlgorithmFactory,
MatrixWorkspaceProperty, PropertyMode)
+from mantid.dataobjects import MaskWorkspaceProperty
from mantid.simpleapi import (ConvertSpectrumAxis, Transpose,
ResampleX, CopyInstrumentParameters,
Divide, DeleteWorkspace, Scale,
MaskAngle, ExtractMask, Minus,
- RemoveMaskedSpectra, mtd)
+ ExtractUnmaskedSpectra, mtd,
+ BinaryOperateMasks)
from mantid.kernel import StringListValidator, Direction, Property, FloatBoundedValidator
@@ -48,6 +50,11 @@ class WANDPowderReduction(DataProcessorAlgorithm):
validator=FloatBoundedValidator(0.0),
doc="The background will be scaled by this number before being subtracted.")
+ self.declareProperty(MaskWorkspaceProperty("MaskWorkspace", '',
+ optional=PropertyMode.Optional,
+ direction=Direction.Input),
+ doc='The mask from this workspace will be applied before reduction')
+
self.copyProperties('ConvertSpectrumAxis', ['Target', 'EFixed'])
self.copyProperties('ResampleX', ['XMin', 'XMax', 'NumberBins', 'LogBinning'])
@@ -65,6 +72,7 @@ class WANDPowderReduction(DataProcessorAlgorithm):
data = self.getProperty("InputWorkspace").value
cal = self.getProperty("CalibrationWorkspace").value
bkg = self.getProperty("BackgroundWorkspace").value
+ mask = self.getProperty("MaskWorkspace").value
target = self.getProperty("Target").value
eFixed = self.getProperty("EFixed").value
xMin = self.getProperty("XMin").value
@@ -88,13 +96,17 @@ class WANDPowderReduction(DataProcessorAlgorithm):
if maskAngle != Property.EMPTY_DBL:
MaskAngle(Workspace='__mask_tmp', MinAngle=maskAngle, Angle='Phi', EnableLogging=False)
- RemoveMaskedSpectra(InputWorkspace=data, MaskedWorkspace='__mask_tmp', OutputWorkspace='__data_tmp', EnableLogging=False)
+ if mask is not None:
+ BinaryOperateMasks(InputWorkspace1='__mask_tmp', InputWorkspace2=mask,
+ OperationType='OR', OutputWorkspace='__mask_tmp', EnableLogging=False)
+
+ ExtractUnmaskedSpectra(InputWorkspace=data, MaskWorkspace='__mask_tmp', OutputWorkspace='__data_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__data_tmp', Target=target, EFixed=eFixed, OutputWorkspace=outWS, EnableLogging=False)
Transpose(InputWorkspace=outWS, OutputWorkspace=outWS, EnableLogging=False)
ResampleX(InputWorkspace=outWS, OutputWorkspace=outWS, XMin=xMin, XMax=xMax, NumberBins=numberBins, EnableLogging=False)
if cal is not None:
- RemoveMaskedSpectra(InputWorkspace=cal, MaskedWorkspace='__mask_tmp', OutputWorkspace='__cal_tmp', EnableLogging=False)
+ ExtractUnmaskedSpectra(InputWorkspace=cal, MaskWorkspace='__mask_tmp', OutputWorkspace='__cal_tmp', EnableLogging=False)
CopyInstrumentParameters(data, '__cal_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__cal_tmp', Target=target, EFixed=eFixed, OutputWorkspace='__cal_tmp', EnableLogging=False)
Transpose(InputWorkspace='__cal_tmp', OutputWorkspace='__cal_tmp', EnableLogging=False)
@@ -109,7 +121,7 @@ class WANDPowderReduction(DataProcessorAlgorithm):
Scale(InputWorkspace=outWS, OutputWorkspace=outWS, Factor=cal_scale/data_scale, EnableLogging=False)
if bkg is not None:
- RemoveMaskedSpectra(InputWorkspace=bkg, MaskedWorkspace='__mask_tmp', OutputWorkspace='__bkg_tmp', EnableLogging=False)
+ ExtractUnmaskedSpectra(InputWorkspace=bkg, MaskWorkspace='__mask_tmp', OutputWorkspace='__bkg_tmp', EnableLogging=False)
CopyInstrumentParameters(data, '__bkg_tmp', EnableLogging=False)
ConvertSpectrumAxis(InputWorkspace='__bkg_tmp', Target=target, EFixed=eFixed, OutputWorkspace='__bkg_tmp', EnableLogging=False)
Transpose(InputWorkspace='__bkg_tmp', OutputWorkspace='__bkg_tmp', EnableLogging=False)
diff --git a/Framework/PythonInterface/test/python/mantid/api/CMakeLists.txt b/Framework/PythonInterface/test/python/mantid/api/CMakeLists.txt
index afd9d68ce1f6220c96711de0e574fdb6eadbd293..6a6816959dea5cd0d8bf275861851bb10d97ea22 100644
--- a/Framework/PythonInterface/test/python/mantid/api/CMakeLists.txt
+++ b/Framework/PythonInterface/test/python/mantid/api/CMakeLists.txt
@@ -14,7 +14,6 @@ set ( TEST_PY_FILES
CompositeFunctionTest.py
DataProcessorAlgorithmTest.py
DeprecatedAlgorithmCheckerTest.py
- DetectorInfoTest.py
ExperimentInfoTest.py
FilePropertyTest.py
FileFinderTest.py
diff --git a/Framework/PythonInterface/test/python/mantid/api/DetectorInfoTest.py b/Framework/PythonInterface/test/python/mantid/api/DetectorInfoTest.py
deleted file mode 100644
index efac03965c6f05761ee13ee2361994f4eec67f16..0000000000000000000000000000000000000000
--- a/Framework/PythonInterface/test/python/mantid/api/DetectorInfoTest.py
+++ /dev/null
@@ -1,29 +0,0 @@
-from __future__ import (absolute_import, division, print_function)
-
-import unittest
-from testhelpers import WorkspaceCreationHelper
-
-class DetectorInfoTest(unittest.TestCase):
-
- _ws = None
-
- def setUp(self):
- if self.__class__._ws is None:
- self.__class__._ws = WorkspaceCreationHelper.create2DWorkspaceWithFullInstrument(2, 1, False) # no monitors
- self.__class__._ws.getSpectrum(0).clearDetectorIDs()
-
- def test_len(self):
- info = self._ws.detectorInfo()
- self.assertEquals(len(info), 2)
-
- def test_size(self):
- info = self._ws.detectorInfo()
- self.assertEquals(info.size(), 2)
-
- def test_isMasked(self):
- info = self._ws.detectorInfo()
- self.assertEquals(info.isMasked(0), False)
- self.assertEquals(info.isMasked(1), False)
-
-if __name__ == '__main__':
- unittest.main()
diff --git a/Framework/PythonInterface/test/python/mantid/api/WorkspaceValidatorsTest.py b/Framework/PythonInterface/test/python/mantid/api/WorkspaceValidatorsTest.py
index 128b3f48ddfcc8310219d4063d38703a0e47eded..a2de10979bb1fda1200bdb7abfac059b819e7368 100644
--- a/Framework/PythonInterface/test/python/mantid/api/WorkspaceValidatorsTest.py
+++ b/Framework/PythonInterface/test/python/mantid/api/WorkspaceValidatorsTest.py
@@ -9,7 +9,8 @@ from mantid.kernel import IValidator
from mantid.api import (WorkspaceUnitValidator, HistogramValidator,
RawCountValidator, CommonBinsValidator,
SpectraAxisValidator, NumericAxisValidator,
- InstrumentValidator, MDFrameValidator)
+ InstrumentValidator, MDFrameValidator,
+ OrientedLatticeValidator)
class WorkspaceValidatorsTest(unittest.TestCase):
@@ -68,9 +69,19 @@ class WorkspaceValidatorsTest(unittest.TestCase):
testhelpers.assertRaisesNothing(self, InstrumentValidator)
def test_MDFrameValidator_construction(self):
+ """
+ Test that the MDFrameValidator can be constructed
+ with a single string
+ """
testhelpers.assertRaisesNothing(self, MDFrameValidator, "HKL")
self.assertRaises(Exception, MDFrameValidator)
+ def test_OrientedLatticeValidator_construction(self):
+ """
+ Test that the OrientedLatticeValidator can be constructed
+ with no args
+ """
+ testhelpers.assertRaisesNothing(self, OrientedLatticeValidator)
if __name__ == '__main__':
unittest.main()
diff --git a/Framework/PythonInterface/test/python/mantid/dataobjects/EventListTest.py b/Framework/PythonInterface/test/python/mantid/dataobjects/EventListTest.py
index edcffb793905e1e7db9d1c91429e410086d79c78..00429a7bf89d8520bc7e7364cc193447c6e14695 100644
--- a/Framework/PythonInterface/test/python/mantid/dataobjects/EventListTest.py
+++ b/Framework/PythonInterface/test/python/mantid/dataobjects/EventListTest.py
@@ -9,6 +9,12 @@ from mantid.dataobjects import EventList
class EventListTest(unittest.TestCase):
+ def createRandomEventList(self, length):
+ el = EventList()
+ for i in range(length):
+ el.addEventQuickly(float(i), DateAndTime(i))
+ return el
+
def test_event_list_constructor(self):
el = EventList()
self.assertEquals(el.getNumberEvents(), 0)
@@ -23,5 +29,31 @@ class EventListTest(unittest.TestCase):
self.assertEquals(el.getPulseTimes()[0], DateAndTime(42))
+ def test_event_list_iadd(self):
+ left = self.createRandomEventList(10)
+ rght = self.createRandomEventList(20)
+
+ left += rght
+
+ self.assertEquals(left.getEventType(), EventType.TOF)
+ self.assertEquals(rght.getEventType(), EventType.TOF)
+
+ self.assertEquals(left.getNumberEvents(), 30)
+ self.assertEquals(rght.getNumberEvents(), 20)
+
+ def test_event_list_isub(self):
+ left = self.createRandomEventList(10)
+ rght = self.createRandomEventList(20)
+
+ left -= rght
+
+ self.assertEquals(left.getEventType(), EventType.WEIGHTED)
+ self.assertEquals(rght.getEventType(), EventType.TOF)
+
+ self.assertEquals(left.getNumberEvents(), 30)
+ self.assertEquals(rght.getNumberEvents(), 20)
+
+ self.assertEquals(left.integrate(-1.,31., True), -10.)
+
if __name__ == '__main__':
unittest.main()
diff --git a/Framework/PythonInterface/test/python/mantid/geometry/CMakeLists.txt b/Framework/PythonInterface/test/python/mantid/geometry/CMakeLists.txt
index 4939ae92b77ddc8754c1b373d029f45847660e43..22cb63524b998c5c881652b68600205ee27cf4ae 100644
--- a/Framework/PythonInterface/test/python/mantid/geometry/CMakeLists.txt
+++ b/Framework/PythonInterface/test/python/mantid/geometry/CMakeLists.txt
@@ -20,6 +20,7 @@ set ( TEST_PY_FILES
GroupTest.py
CrystalStructureTest.py
ReflectionGeneratorTest.py
+ DetectorInfoTest.py
)
check_tests_valid ( ${CMAKE_CURRENT_SOURCE_DIR} ${TEST_PY_FILES} )
diff --git a/Framework/PythonInterface/test/python/mantid/geometry/DetectorInfoTest.py b/Framework/PythonInterface/test/python/mantid/geometry/DetectorInfoTest.py
new file mode 100644
index 0000000000000000000000000000000000000000..cf4af4bf44aef00817695caf0327220950e6021b
--- /dev/null
+++ b/Framework/PythonInterface/test/python/mantid/geometry/DetectorInfoTest.py
@@ -0,0 +1,202 @@
+from __future__ import (absolute_import, division, print_function)
+
+import unittest
+from testhelpers import WorkspaceCreationHelper
+from mantid.kernel import V3D
+from mantid.kernel import Quat
+from mantid.simpleapi import *
+
+
+class DetectorInfoTest(unittest.TestCase):
+
+ _ws = None
+
+ def setUp(self):
+ """ Setup Workspace to use"""
+ if self.__class__._ws is None:
+ self.__class__._ws = WorkspaceCreationHelper.create2DWorkspaceWithFullInstrument(2, 1, False) # no monitors
+ self.__class__._ws.getSpectrum(0).clearDetectorIDs()
+
+ """
+ ----------------------------------------------------------------------------
+ Normal Tests
+ ----------------------------------------------------------------------------
+
+ The following test cases test normal usage of the exposed methods.
+ """
+
+ def test_len(self):
+ """ Test return value for number of detectors """
+ info = self._ws.detectorInfo()
+ self.assertEquals(len(info), 2)
+
+ def test_size(self):
+ """ Test return value for number of detectors """
+ info = self._ws.detectorInfo()
+ self.assertEquals(info.size(), 2)
+
+ def test_isMonitor(self):
+ """ Check if detector is a monitor """
+ info = self._ws.detectorInfo()
+ self.assertEquals(info.isMonitor(0), False)
+ self.assertEquals(info.isMonitor(1), False)
+
+ def test_isMasked(self):
+ """ Check masking of detector """
+ info = self._ws.detectorInfo()
+ self.assertEquals(info.isMasked(0), False)
+ self.assertEquals(info.isMasked(1), False)
+
+ def test_setMasked(self):
+ """ Test that the detector's masking can be set to True. """
+ info = self._ws.detectorInfo()
+ info.setMasked(0, True)
+ self.assertTrue(info.isMasked(0))
+
+ def test_clearMaskFlags(self):
+ """ Test that the detector's masking can be cleared. """
+ info = self._ws.detectorInfo()
+ info.setMasked(0, True)
+ self.assertTrue(info.isMasked(0))
+ info.clearMaskFlags()
+ self.assertFalse(info.isMasked(0))
+
+ def test_isEquivalent(self):
+ """ Check equality of detectors """
+ info = self._ws.detectorInfo()
+ self.assertTrue(info.isEquivalent(info))
+ self.assertTrue(info == info)
+
+ def test_twoTheta(self):
+ """ See if the returned value is a double (float in Python). """
+ info = self._ws.detectorInfo()
+ self.assertEquals(type(info.twoTheta(0)), float)
+
+ def test_createWorkspaceAndDetectorInfo(self):
+ """ Try to create a workspace and see if DetectorInfo object
+ is accessable """
+ dataX = [1,2,3,4,5]
+ dataY = [1,2,3,4,5]
+ workspace = CreateWorkspace(DataX=dataX, DataY=dataY)
+ info = workspace.detectorInfo()
+ self.assertEquals(info.size(), 0)
+
+ """
+ The following test cases test for returned objects to do with position
+ and rotation.
+ """
+
+ def test_position(self):
+ """ Test that the detector's position is returned. """
+ info = self._ws.detectorInfo()
+ self.assertEquals(type(info.position(0)), V3D)
+ self.assertEquals(type(info.position(1)), V3D)
+
+ def test_rotation(self):
+ """ Test that the detector's rotation is returned. """
+ info = self._ws.detectorInfo()
+ self.assertEquals(type(info.rotation(0)), Quat)
+ self.assertEquals(type(info.rotation(1)), Quat)
+
+
+ """
+ ----------------------------------------------------------------------------
+ Extreme Tests
+ ----------------------------------------------------------------------------
+
+ The following test cases test around boundary cases for the exposed methods.
+ """
+ def test_isMonitor_extreme(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(OverflowError):
+ info.isMonitor(-1)
+
+ def test_isMasked_extreme(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(OverflowError):
+ info.isMasked(-1)
+
+ def test_twoTheta_extreme(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(OverflowError):
+ info.twoTheta(-1)
+ self.assertEquals(type(info.twoTheta(0)), float)
+ self.assertEquals(type(info.twoTheta(1)), float)
+
+ def test_position_extreme(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(OverflowError):
+ info.position(-1)
+
+
+ """
+ ----------------------------------------------------------------------------
+ Exceptional Tests
+ ----------------------------------------------------------------------------
+
+ Each of the tests below tries to pass invalid parameters to the exposed
+ methods and expect an error to be thrown.
+ """
+ def test_size_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.size(0)
+
+ def test_isMonitor_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.isMonitor("Error")
+ with self.assertRaises(TypeError):
+ info.isMonitor(10.0)
+
+ def test_isMasked_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.isMasked("Error")
+ with self.assertRaises(TypeError):
+ info.isMasked(10.0)
+
+ def test_setMasked_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.setMasked(0, "False")
+ with self.assertRaises(TypeError):
+ info.setMasked("False", True)
+
+ def test_clearMaskFlags_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.clearMaskFlags("All")
+ with self.assertRaises(TypeError):
+ info.clearMaskFlags(1.10)
+
+ def test_isEquivalent_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.isEquivalent("Hello")
+ with self.assertRaises(TypeError):
+ info.isEquivalent(11.1)
+
+ def test_twoTheta_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.twoTheta("Zero")
+ with self.assertRaises(TypeError):
+ info.twoTheta(1.0)
+
+ def test_position_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.position("Zero")
+ with self.assertRaises(TypeError):
+ info.position(0.0)
+
+ def test_rotation_exceptional(self):
+ info = self._ws.detectorInfo()
+ with self.assertRaises(TypeError):
+ info.rotation("Zero")
+ with self.assertRaises(TypeError):
+ info.rotation(0.0)
+
+if __name__ == '__main__':
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/mantid/kernel/ArrayPropertyTest.py b/Framework/PythonInterface/test/python/mantid/kernel/ArrayPropertyTest.py
index db5f08d0f2783b2a600c8b6c576f9a78edc110f4..2564e68a9791e6d2204dc09112f0cdb0ca08b244 100644
--- a/Framework/PythonInterface/test/python/mantid/kernel/ArrayPropertyTest.py
+++ b/Framework/PythonInterface/test/python/mantid/kernel/ArrayPropertyTest.py
@@ -154,17 +154,9 @@ class ArrayPropertyTest(unittest.TestCase):
str_arr = StringArrayProperty("letters", str_input_values, validator, direc)
# Test
- self.assertEquals(float_arr.dtype(), "float64")
- self.assertEquals(str_arr.dtype(), "string_")
-
- # Implementation of IntArrayProperty is based on long
- # (which is itself implementation defined, so a special case is needed here)
- if sys.platform == 'win32' or sys.platform == 'darwin':
- # Windows and macOS should return "int_"
- self.assertEquals(int_arr.dtype(), "int_")
- else:
- # Linux based systems should return "int64"
- self.assertEquals(int_arr.dtype(), "int64")
+ self.assertEquals(float_arr.dtype(), "f")
+ self.assertEquals(int_arr.dtype(), "i")
+ self.assertEquals(str_arr.dtype(), "S1")
def test_construct_numpy_array_with_given_dtype_float(self):
# Set up
@@ -174,11 +166,11 @@ class ArrayPropertyTest(unittest.TestCase):
# Create float array
float_input_values = [1.1, 2.5, 5.6, 4.6, 9.0, 6.0]
float_arr = FloatArrayProperty("floats", float_input_values, validator, direc)
-
+
# Use the returned dtype() to check it works with numpy arrays
x = np.arange(1, 10, dtype=float_arr.dtype())
self.assertIsInstance(x, np.ndarray)
- self.assertEquals(x.dtype, float_arr.dtype())
+ self.assertEquals(x.dtype, float_arr.dtype())
def test_construct_numpy_array_with_given_dtype_int(self):
# Set up
@@ -188,7 +180,7 @@ class ArrayPropertyTest(unittest.TestCase):
# Create int array
int_input_values = [1, 2, 5, 4, 9, 6]
int_arr = IntArrayProperty("integers", int_input_values, validator, direc)
-
+
# Use the returned dtype() to check it works with numpy arrays
x = np.arange(1, 10, dtype=int_arr.dtype())
self.assertIsInstance(x, np.ndarray)
@@ -202,12 +194,12 @@ class ArrayPropertyTest(unittest.TestCase):
# Create string array
str_input_values = ["hello", "testing", "word", "another word", "word"]
str_arr = StringArrayProperty("letters", str_input_values, validator, direc)
-
+
# Use the returned dtype() to check it works with numpy arrays
x = np.array(str_input_values, dtype=str_arr.dtype())
self.assertIsInstance(x, np.ndarray)
# Expect longest string to be returned
- self.assertEquals(x.dtype, "S12")
+ self.assertEquals(x.dtype, "S12")
def test_PythonAlgorithm_setProperty_With_Ranges_String(self):
"""
diff --git a/Framework/PythonInterface/test/python/mantid/kernel/PropertyWithValueTest.py b/Framework/PythonInterface/test/python/mantid/kernel/PropertyWithValueTest.py
index 56908e8161f3b6e592b3ba4dd07e1a8e2c46d88a..ecab49de0d4f581e60f363e66e929eda7929c424 100644
--- a/Framework/PythonInterface/test/python/mantid/kernel/PropertyWithValueTest.py
+++ b/Framework/PythonInterface/test/python/mantid/kernel/PropertyWithValueTest.py
@@ -128,7 +128,7 @@ class PropertyWithValueTest(unittest.TestCase):
self.assertEquals(result.endswith("98,99"), True)
# Check the dtype return value
- self.assertEquals(det_list_prop.dtype(), "int32")
+ self.assertEquals(det_list_prop.dtype(), "i")
def _do_vector_double_numpy_test(self, int_type=False):
create_ws = AlgorithmManager.createUnmanaged('CreateWorkspace')
diff --git a/Framework/PythonInterface/test/python/mantid/kernel/TimeSeriesPropertyTest.py b/Framework/PythonInterface/test/python/mantid/kernel/TimeSeriesPropertyTest.py
index 265cec042163963dc593dbb1030c5bb7965754f2..7313b62885e78df25ef71a000e1326b8e8d3eaf5 100644
--- a/Framework/PythonInterface/test/python/mantid/kernel/TimeSeriesPropertyTest.py
+++ b/Framework/PythonInterface/test/python/mantid/kernel/TimeSeriesPropertyTest.py
@@ -61,7 +61,7 @@ class TimeSeriesPropertyTest(unittest.TestCase):
self.assertEquals(log_series.size(), self._ntemp)
self.assertAlmostEqual(log_series.nthValue(0), -0.00161)
# Check the dtype return value
- self.assertEquals(log_series.dtype(), "float64")
+ self.assertEquals(log_series.dtype(), "f")
def test_time_series_int_can_be_extracted(self):
log_series = self._test_ws.getRun()["raw_frames"]
@@ -69,7 +69,7 @@ class TimeSeriesPropertyTest(unittest.TestCase):
self.assertEquals(log_series.size(), self._nframes)
self.assertEquals(log_series.nthValue(1), 1436)
# Check the dtype return value
- self.assertEquals(log_series.dtype(), "int64")
+ self.assertEquals(log_series.dtype(), "i")
def test_time_series_string_can_be_extracted(self):
log_series = self._test_ws.getRun()["icp_event"]
@@ -77,14 +77,14 @@ class TimeSeriesPropertyTest(unittest.TestCase):
self.assertEquals(log_series.size(), 4)
self.assertEquals(log_series.nthValue(0).strip(), 'CHANGE_PERIOD 1')
# Check the dtype return value
- self.assertEquals(log_series.dtype(), "string_")
+ self.assertEquals(log_series.dtype(), "S61")
def test_time_series_bool_can_be_extracted(self):
log_series = self._test_ws.getRun()["period 1"]
self._check_has_time_series_attributes(log_series)
self.assertEquals(log_series.size(), 1)
# Check the dtype return value
- self.assertEquals(log_series.dtype(), "bool_")
+ self.assertEquals(log_series.dtype(), "b")
def _check_has_time_series_attributes(self, log, values_type=np.ndarray):
self.assertTrue(hasattr(log, "value"))
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/ExportSampleLogsToHDF5Test.py b/Framework/PythonInterface/test/python/plugins/algorithms/ExportSampleLogsToHDF5Test.py
index e5fdde253267ccad8e974d70f435682c4930e31c..2f81160e3fe5e3e8acf397e7edb011a999abd8da 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/ExportSampleLogsToHDF5Test.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/ExportSampleLogsToHDF5Test.py
@@ -26,7 +26,7 @@ class ExportSampleLogsToHDF5Test(unittest.TestCase):
if mantid.mtd.doesExist(self.TEST_WS_NAME):
mantid.mtd.remove(self.TEST_WS_NAME)
-
+
def test_saveFileWithSingleValueProperties(self):
input_ws = self._create_sample_workspace()
self._add_log_to_workspace(input_ws, "Test1", 1.0)
@@ -80,6 +80,34 @@ class ExportSampleLogsToHDF5Test(unittest.TestCase):
logs_group = output_file["Sample Logs"]
self.assertEquals(logs_group["TestLog"].attrs["Units"], "uAmps")
+ def test_create_timeSeries(self):
+ """ Tests that the correct TimeSeriesProperty is returned when given a
+ name and a list of values of a given type."""
+
+ # Test for Int32TimeSeriesProperty
+ int_log_name = "Int32Series"
+ int_log_values = [1,2,3,4,5,6,7]
+ int_prop = PropertyFactory.createTimeSeries(int_log_name, int_log_values)
+ self.assertEquals(type(int_prop), Int32TimeSeriesProperty)
+
+ # Test for BoolTimeSeriesProperty
+ bool_log_name = "BoolSeries"
+ bool_log_values = [True, False, False, True, False]
+ bool_prop = PropertyFactory.createTimeSeries(bool_log_name, bool_log_values)
+ self.assertEquals(type(bool_prop), BoolTimeSeriesProperty)
+
+ # Test for StringSeriesProperty
+ str_log_name = "StringSeries"
+ str_log_values = ["Testing", "string", "time", "series", "property"]
+ str_prop = PropertyFactory.createTimeSeries(str_log_name, str_log_values)
+ self.assertEquals(type(str_prop), StringTimeSeriesProperty)
+
+ # Test for FloatTimeSeriesProperty
+ float_log_name = "FloatSeries"
+ float_log_values = [1.0 ,2.1, 3.2, 4.3, 5.6, 6.7, 7.8]
+ float_prop = PropertyFactory.createTimeSeries(float_log_name, float_log_values)
+ self.assertTrue(type(float_prop), FloatTimeSeriesProperty)
+
def _add_log_to_workspace(self, ws, log_name, log_value):
if isinstance(log_value, list):
ws.mutableRun()[log_name] = self._create_time_series_log(log_name, log_value)
@@ -98,21 +126,11 @@ class ExportSampleLogsToHDF5Test(unittest.TestCase):
return ws
def _create_time_series_log(self, log_name, log_value):
- if isinstance(log_value[0], int):
- prop = Int32TimeSeriesProperty(log_name)
- elif isinstance(log_value[0], float):
- prop = FloatTimeSeriesProperty(log_name)
- elif isinstance(log_value[0], str):
- prop = StringTimeSeriesProperty(log_name)
- elif isinstance(log_value[0], bool):
- prop = BoolTimeSeriesProperty(log_name)
- else:
- raise RuntimeError("Unsupported property type {}".format(type(log_value[0])))
-
+ prop = PropertyFactory.createTimeSeries(log_name, log_value)
for i, value in enumerate(log_value):
prop.addValue(i, value)
return prop
if __name__ == "__main__":
- unittest.main()
\ No newline at end of file
+ unittest.main()
diff --git a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/LoadWANDTest.py b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/LoadWANDTest.py
index b0d5a4746ffc20ad922f0d5afeddafe1eaab9603..21ffa1ac0bfda45dc032c35be1b8347b3b430193 100644
--- a/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/LoadWANDTest.py
+++ b/Framework/PythonInterface/test/python/plugins/algorithms/WorkflowAlgorithms/LoadWANDTest.py
@@ -6,11 +6,11 @@ import unittest
class LoadWANDTest(unittest.TestCase):
def test(self):
- ws = LoadWAND('HB2C_7000.nxs.h5')
+ ws = LoadWAND('HB2C_7000.nxs.h5', Grouping='2x2')
self.assertTrue(ws)
self.assertEquals(ws.blocksize(), 1)
- self.assertEquals(ws.getNumberHistograms(), 1966080)
- self.assertEquals(ws.readY(1031100), 5)
+ self.assertEquals(ws.getNumberHistograms(), 1966080//4)
+ self.assertEquals(ws.readY(257775), 4)
self.assertEquals(ws.run().getProtonCharge(), 907880)
self.assertAlmostEqual(ws.run().getGoniometer().getEulerAngles()[0], -142.6)
self.assertEquals(ws.run().getLogData('Wavelength').value, 1.488)
diff --git a/MantidPlot/CMakeLists.txt b/MantidPlot/CMakeLists.txt
index 7d114bcccc73e7fd702e531532b1f6067f470953..66d1fff962807c4399153f6f3453780ac873e6c4 100644
--- a/MantidPlot/CMakeLists.txt
+++ b/MantidPlot/CMakeLists.txt
@@ -455,7 +455,7 @@ add_custom_command ( OUTPUT ${SIP_SRC_AUTO}
-I ${PYQT4_SIP_DIR} ${MANTIDQTPYTHON_SIP_INCLUDES} ${PYQT4_SIP_FLAGS}
-c ${CMAKE_CURRENT_BINARY_DIR} -j1 -w -o
${SIP_SPEC}
- DEPENDS ${SIP_INCLUDE_DIRECTORY}/sip.h src/qti.sip ${QTI_SIP_HDRS} ../qt/python/mantidqtpython/mantidqtpython_def.sip
+ DEPENDS ${SIP_INCLUDE_DIR}/sip.h src/qti.sip ${QTI_SIP_HDRS} ../qt/python/mantidqtpython/mantidqtpython_def.sip
COMMENT "Generating python bindings using sip"
)
diff --git a/MantidPlot/pymantidplot/__init__.py b/MantidPlot/pymantidplot/__init__.py
index bf537f68c501e696c644af7f503ed09e47a29112..fe00aacdcaa078cf3939c1d557bc48cf05b973db 100644
--- a/MantidPlot/pymantidplot/__init__.py
+++ b/MantidPlot/pymantidplot/__init__.py
@@ -57,17 +57,17 @@ def _get_analysis_data_service():
# -------------------------- Wrapped MantidPlot functions -----------------
-def runPythonScript(code, async=False, quiet=False, redirect=True):
+def runPythonScript(code, asynchronous=False, quiet=False, redirect=True):
"""
Redirects the runPythonScript method to the app object
@param code :: A string of code to execute
- @param async :: If the true the code is executed in a separate thread
+ @param asynchronous :: If the true the code is executed in a separate thread
@param quiet :: If true no messages reporting status are issued
@param redirect :: If true then output is redirected to MantidPlot
"""
- if async and QtCore.QThread.currentThread() != QtGui.qApp.thread():
- async = False
- threadsafe_call(_qti.app.runPythonScript, code, async, quiet, redirect)
+ if asynchronous and QtCore.QThread.currentThread() != QtGui.qApp.thread():
+ asynchronous = False
+ threadsafe_call(_qti.app.runPythonScript, code, asynchronous, quiet, redirect)
# Overload for consistency with qtiplot table(..) & matrix(..) commands
diff --git a/MantidPlot/src/ApplicationWindow.h b/MantidPlot/src/ApplicationWindow.h
index 1e0122798c3b7846121c284c68e50acb3d48b8fc..61c1c66d5db19de26b8e15fb6385d817311660b8 100644
--- a/MantidPlot/src/ApplicationWindow.h
+++ b/MantidPlot/src/ApplicationWindow.h
@@ -257,7 +257,7 @@ public slots:
int lineNumber);
/// Runs an arbitrary lump of python code, return true/false on
/// success/failure.
- bool runPythonScript(const QString &code, bool async = false,
+ bool runPythonScript(const QString &code, bool asynchronous = false,
bool quiet = false, bool redirect = true);
QList<MdiSubWindow *> windowsList() const;
diff --git a/MantidPlot/src/qti.sip b/MantidPlot/src/qti.sip
index 2972608196c575f291d27c6678b8a8d48bb0460e..679cf688fb15308704c0ee85321019cf3b5de161 100644
--- a/MantidPlot/src/qti.sip
+++ b/MantidPlot/src/qti.sip
@@ -1103,7 +1103,7 @@ sipType=sipFindType(sipCpp->metaObject()->className());
public:
void setExitCode(int code);
- bool runPythonScript(const QString & code, const bool async = false,
+ bool runPythonScript(const QString & code, const bool asynchronous = false,
bool quiet=false, bool redirect=true);
enum MatrixToTableConversion{Direct, XYZ, YXZ};
diff --git a/Testing/SystemTests/lib/systemtests/stresstesting.py b/Testing/SystemTests/lib/systemtests/stresstesting.py
index 6d7d12bc24ae83b6186b532a928f1549414e4f09..92efbd7a86f640de138235b3ded0b161f129a8e0 100644
--- a/Testing/SystemTests/lib/systemtests/stresstesting.py
+++ b/Testing/SystemTests/lib/systemtests/stresstesting.py
@@ -933,7 +933,6 @@ class MantidFrameworkConfig:
# Up the log level so that failures can give useful information
config['logging.loggers.root.level'] = self.__loglevel
- config['logging.channels.consoleFilterChannel.level'] = self.__loglevel
# Set the correct search path
config['datasearch.directories'] = self.__dataDirs
diff --git a/Testing/SystemTests/tests/analysis/LRScalingFactorsTest.py b/Testing/SystemTests/tests/analysis/LRScalingFactorsTest.py
index a501b481cd1f10049b2157d3f425c19ef8a581f7..edf904e295bf7ed368f110605aad31504bda081c 100644
--- a/Testing/SystemTests/tests/analysis/LRScalingFactorsTest.py
+++ b/Testing/SystemTests/tests/analysis/LRScalingFactorsTest.py
@@ -25,6 +25,7 @@ class LRPrimaryFractionTest(stresstesting.MantidStressTest):
TOFRange=[10008, 35000], TOFSteps=200,
SignalPeakPixelRange=[150, 160],
SignalBackgroundPixelRange=[147, 163],
+ LowResolutionPixelRange=[94, 160],
ScalingFactorFile=self.cfg_file)
def validate(self):
diff --git a/buildconfig/CMake/LinuxPackageScripts.cmake b/buildconfig/CMake/LinuxPackageScripts.cmake
index 4e70e144b791cfe3b02a08f77f0acd7b8ec31253..8fb1be25b6be2633e98510ccc7f2dab2ece4510a 100644
--- a/buildconfig/CMake/LinuxPackageScripts.cmake
+++ b/buildconfig/CMake/LinuxPackageScripts.cmake
@@ -3,6 +3,9 @@
#
# It provides:
# - launch_mantidplot.sh
+# - launch_mantidworkbench.sh
+# - mantid.sh <- for stable releases
+# - mantid.csh <- for stable releases
#
###########################################################################
@@ -17,7 +20,7 @@ set ( PLUGINS_DIR plugins )
# Separate directory of plugins to be discovered by the ParaView framework
# These cannot be mixed with our other plugins. Further sub-directories
# based on the Qt version will also be created by the installation targets
-set ( PVPLUGINS_SUBDIR paraview )
+set ( PVPLUGINS_DIR "plugins/paraview/qt4/" )
if ( CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT )
set ( CMAKE_INSTALL_PREFIX /opt/mantid${CPACK_PACKAGE_SUFFIX} CACHE PATH "Install path" FORCE )
@@ -34,7 +37,7 @@ set ( CPACK_RPM_EXCLUDE_FROM_AUTO_FILELIST_ADDITION /opt /usr/share/applications
file ( WRITE ${CMAKE_CURRENT_BINARY_DIR}/mantid.sh
"#!/bin/sh\n"
"MANTIDPATH=${CMAKE_INSTALL_PREFIX}/${BIN_DIR}\n"
- "PV_PLUGIN_PATH=${CMAKE_INSTALL_PREFIX}/${PVPLUGINS_DIR}/${PVPLUGINS_DIR}\n"
+ "PV_PLUGIN_PATH=${CMAKE_INSTALL_PREFIX}/${PVPLUGINS_DIR}\n"
"PATH=$PATH:$MANTIDPATH\n"
"export MANTIDPATH PV_PLUGIN_PATH PATH\n"
@@ -44,7 +47,7 @@ file ( WRITE ${CMAKE_CURRENT_BINARY_DIR}/mantid.sh
file ( WRITE ${CMAKE_CURRENT_BINARY_DIR}/mantid.csh
"#!/bin/csh\n"
"setenv MANTIDPATH \"${CMAKE_INSTALL_PREFIX}/${BIN_DIR}\"\n"
- "setenv PV_PLUGIN_PATH \"${CMAKE_INSTALL_PREFIX}/${PVPLUGINS_DIR}/${PVPLUGINS_DIR}\"\n"
+ "setenv PV_PLUGIN_PATH \"${CMAKE_INSTALL_PREFIX}/${PVPLUGINS_DIR}\"\n"
"setenv PATH \"\${PATH}:\${MANTIDPATH}\"\n"
)
@@ -132,6 +135,17 @@ endif()
############################################################################
# Launcher scripts
############################################################################
+# common definition of work for virtualgl - lots of escaping things from cmake
+set ( VIRTUAL_GL_WRAPPER
+"# whether or not to use vglrun
+if [ -n \"\${NXSESSIONID}\" ]; then
+ command -v vglrun >/dev/null 2>&1 || { echo >&2 \"MantidPlot requires VirtualGL but it's not installed. Aborting.\"; exit 1; }
+ VGLRUN=\"vglrun\"
+elif [ -n \"\${TLSESSIONDATA}\" ]; then
+ command -v vglrun >/dev/null 2>&1 || { echo >&2 \"MantidPlot requires VirtualGL but it's not installed. Aborting.\"; exit 1; }
+ VGLRUN=\"vglrun\"
+fi" )
+
# The scripts need tcmalloc to be resolved to the runtime library as the plain
# .so symlink is only present when a -dev/-devel package is present
if ( TCMALLOC_FOUND )
@@ -140,6 +154,46 @@ if ( TCMALLOC_FOUND )
string( REGEX REPLACE "([0-9]+)\.[0-9]+\.[0-9]+$" "\\1" TCMALLOC_RUNTIME_LIB ${TCMALLOC_RUNTIME_LIB} )
endif ()
+# definitions to preload tcmalloc
+set ( TCMALLOC_DEFINITIONS
+"# Define parameters for tcmalloc
+LOCAL_PRELOAD=${TCMALLOC_RUNTIME_LIB}
+if [ -n \"\${LD_PRELOAD}\" ]; then
+ LOCAL_PRELOAD=\${LOCAL_PRELOAD}:\${LD_PRELOAD}
+fi
+if [ -z \"\${TCMALLOC_RELEASE_RATE}\" ]; then
+ TCM_RELEASE=10000
+else
+ TCM_RELEASE=\${TCMALLOC_RELEASE_RATE}
+fi
+
+# Define when to report large memory allocation
+if [ -z \"\${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}\" ]; then
+ # total available memory
+ TCM_REPORT=\$(grep MemTotal /proc/meminfo --color=never | awk '{print \$2}')
+ # half of available memory
+ TCM_REPORT=`expr 512 \\* \$TCM_REPORT`
+ # minimum is 1GB
+ if [ \${TCM_REPORT} -le 1073741824 ]; then
+ TCM_REPORT=1073741824
+ fi
+else
+ TCM_REPORT=\${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}
+fi" )
+
+# chunk of code for fixing MANTIDPATH
+set ( MTD_PATH_DEFINITION "MANTIDPATH=\${INSTALLDIR}/bin" )
+
+# chunk of code for launching gdb
+set ( GDB_DEFINITIONS
+"# run with gdb THIS OPTION MUST BE SUPPLIED FIRST
+if [ -n \"\$1\" ] && [ \"\$1\" = \"--debug\" ]; then
+ shift
+ GDB=\"gdb --args\"
+fi" )
+
+set ( ERROR_CMD "ErrorReporter/error_dialog_app.py --exitcode=\$? --directory=\$INSTALLDIR/bin" )
+
# Local dev version
if ( MAKE_VATES )
set ( PARAVIEW_PYTHON_PATHS ":${ParaView_DIR}/lib:${ParaView_DIR}/lib/site-packages" )
@@ -147,15 +201,26 @@ else ()
set ( PARAVIEW_PYTHON_PATHS "" )
endif ()
+set ( LOCAL_PYPATH "\${INSTALLDIR}/bin" )
+set ( SCRIPTSDIR ${CMAKE_HOME_DIRECTORY}/scripts)
+
+# used by mantidplot and mantidworkbench
if (ENABLE_MANTIDPLOT)
set ( MANTIDPLOT_EXEC MantidPlot )
- set ( SCRIPTSDIR ${CMAKE_HOME_DIRECTORY}/scripts)
configure_file ( ${CMAKE_MODULE_PATH}/Packaging/launch_mantidplot.sh.in
${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/launch_mantidplot.sh @ONLY )
# Needs to be executable
execute_process ( COMMAND "chmod" "+x" "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/launch_mantidplot.sh"
OUTPUT_QUIET ERROR_QUIET )
endif ()
+if (ENABLE_WORKBENCH)
+ set ( MANTIDWORKBENCH_EXEC workbench ) # what the actual thing is called
+ configure_file ( ${CMAKE_MODULE_PATH}/Packaging/launch_mantidworkbench.sh.in
+ ${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/launch_mantidworkbench.sh @ONLY )
+ # Needs to be executable
+ execute_process ( COMMAND "chmod" "+x" "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/launch_mantidworkbench.sh"
+ OUTPUT_QUIET ERROR_QUIET )
+endif()
configure_file ( ${CMAKE_MODULE_PATH}/Packaging/mantidpython.in
${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/mantidpython @ONLY )
# Needs to be executable
@@ -168,31 +233,33 @@ execute_process ( COMMAND "chmod" "+x" "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/AddPyt
OUTPUT_QUIET ERROR_QUIET )
# Package version
-set ( EXTRA_LDPATH "\${INSTALLDIR}/../lib/paraview-${ParaView_VERSION_MAJOR}.${ParaView_VERSION_MINOR}" )
if ( MAKE_VATES )
- set ( PV_PYTHON_PATH "\${INSTALLDIR}/../lib/paraview-${ParaView_VERSION_MAJOR}.${ParaView_VERSION_MINOR}" )
+ set ( EXTRA_LDPATH "\${INSTALLDIR}/lib/paraview-${ParaView_VERSION_MAJOR}.${ParaView_VERSION_MINOR}" )
+ set ( PV_PYTHON_PATH "\${INSTALLDIR}/lib/paraview-${ParaView_VERSION_MAJOR}.${ParaView_VERSION_MINOR}" )
set ( PARAVIEW_PYTHON_PATHS ":${PV_PYTHON_PATH}:${PV_PYTHON_PATH}/site-packages:${PV_PYTHON_PATH}/site-packages/vtk" )
else ()
set ( PARAVIEW_PYTHON_PATHS "" )
endif ()
+# used by mantidplot and mantidworkbench
+set ( LOCAL_PYPATH "\${INSTALLDIR}/lib:\${INSTALLDIR}/plugins" )
+set ( SCRIPTSDIR "\${INSTALLDIR}/scripts")
+
if (ENABLE_MANTIDPLOT)
set ( MANTIDPLOT_EXEC MantidPlot_exe )
- set ( SCRIPTSDIR "\${INSTALLDIR}/../scripts")
configure_file ( ${CMAKE_MODULE_PATH}/Packaging/launch_mantidplot.sh.in
${CMAKE_CURRENT_BINARY_DIR}/launch_mantidplot.sh.install @ONLY )
- install ( FILES ${CMAKE_CURRENT_BINARY_DIR}/launch_mantidplot.sh.install
- DESTINATION ${BIN_DIR} RENAME launch_mantidplot.sh
- PERMISSIONS OWNER_EXECUTE OWNER_WRITE OWNER_READ
- GROUP_EXECUTE GROUP_READ
- WORLD_EXECUTE WORLD_READ
- )
+ install ( PROGRAMS ${CMAKE_CURRENT_BINARY_DIR}/launch_mantidplot.sh.install
+ DESTINATION ${BIN_DIR} RENAME launch_mantidplot.sh )
endif ()
+if (PACKAGE_WORKBENCH) # will eventually switch to ENABLE_WORKBENCH
+ set ( MANTIDWORKBENCH_EXEC workbench ) # what the actual thing is called
+ configure_file ( ${CMAKE_MODULE_PATH}/Packaging/launch_mantidworkbench.sh.in
+ ${CMAKE_CURRENT_BINARY_DIR}/launch_mantidworkbench.sh.install @ONLY )
+ install ( PROGRAMS ${CMAKE_CURRENT_BINARY_DIR}/launch_mantidworkbench.sh.install
+ DESTINATION ${BIN_DIR} RENAME mantidworkbench )
+endif()
configure_file ( ${CMAKE_MODULE_PATH}/Packaging/mantidpython.in
${CMAKE_CURRENT_BINARY_DIR}/mantidpython.install @ONLY )
-install ( FILES ${CMAKE_CURRENT_BINARY_DIR}/mantidpython.install
- DESTINATION ${BIN_DIR} RENAME mantidpython
- PERMISSIONS OWNER_EXECUTE OWNER_WRITE OWNER_READ
- GROUP_EXECUTE GROUP_READ
- WORLD_EXECUTE WORLD_READ
-)
+install ( PROGRAMS ${CMAKE_CURRENT_BINARY_DIR}/mantidpython.install
+ DESTINATION ${BIN_DIR} RENAME mantidpython )
diff --git a/buildconfig/CMake/Packaging/launch_mantidplot.sh.in b/buildconfig/CMake/Packaging/launch_mantidplot.sh.in
index a8822b897ea6f5f97d204ae12853012924a03cb7..dc4c9d534d9ecfa1500ea81080660b4553a1328a 100644
--- a/buildconfig/CMake/Packaging/launch_mantidplot.sh.in
+++ b/buildconfig/CMake/Packaging/launch_mantidplot.sh.in
@@ -6,49 +6,18 @@
# Find out where we are
THISFILE=$(readlink -f "$0")
-INSTALLDIR=$(echo $THISFILE | sed -r -e 's|^(.*)/(.*)$|\1|g') #.* is greedy and eats up until the final slash
+INSTALLDIR=$(dirname $THISFILE) # directory of executable
+INSTALLDIR=$(dirname $INSTALLDIR) # root install directory
-# Define extra libraries and load paths
-LOCAL_PRELOAD=@TCMALLOC_RUNTIME_LIB@
-if [ -n "${LD_PRELOAD}" ]; then
- LOCAL_PRELOAD=${LOCAL_PRELOAD}:${LD_PRELOAD}
-fi
-if [ -z "${TCMALLOC_RELEASE_RATE}" ]; then
- TCM_RELEASE=10000
-else
- TCM_RELEASE=${TCMALLOC_RELEASE_RATE}
-fi
+@MTD_PATH_DEFINITION@
-if [ -n "${NXSESSIONID}" ]; then
- command -v vglrun >/dev/null 2>&1 || { echo >&2 "MantidPlot requires VirtualGL but it's not installed. Aborting."; exit 1; }
- VGLRUN="vglrun"
-elif [ -n "${TLSESSIONDATA}" ]; then
- command -v vglrun >/dev/null 2>&1 || { echo >&2 "MantidPlot requires VirtualGL but it's not installed. Aborting."; exit 1; }
- VGLRUN="vglrun"
-fi
+@TCMALLOC_DEFINITIONS@
-# Define when to report large memory allocation
-if [ -z "${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}" ]; then
- # total available memory
- TCM_REPORT=$(grep MemTotal /proc/meminfo --color=never | awk '{print $2}')
- # half of available memory
- TCM_REPORT=`expr 512 \* $TCM_REPORT`
- # minimum is 1GB
- if [ ${TCM_REPORT} -le 1073741824 ]; then
- TCM_REPORT=1073741824
- fi
-else
- TCM_REPORT=${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}
-fi
-
-# run with gdb THIS OPTION MUST BE SUPPLIED FIRST
-if [ -n "$1" ] && [ "$1" = "--debug" ]; then
- shift
- GDB="gdb --args"
-fi
+@VIRTUAL_GL_WRAPPER@
+@GDB_DEFINITIONS@
# Launch
LD_PRELOAD=${LOCAL_PRELOAD} TCMALLOC_RELEASE_RATE=${TCM_RELEASE} \
- TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD=${TCM_REPORT} QT_API=pyqt \
- @WRAPPER_PREFIX@$VGLRUN $GDB $INSTALLDIR/@MANTIDPLOT_EXEC@ $*@WRAPPER_POSTFIX@ || @PYTHON_EXECUTABLE@ @SCRIPTSDIR@/ErrorReporter/error_dialog_app.py --exitcode=$? --directory=$INSTALLDIR
+ TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD=${TCM_REPORT} \
+ @WRAPPER_PREFIX@$VGLRUN $GDB $INSTALLDIR/bin/@MANTIDPLOT_EXEC@ $*@WRAPPER_POSTFIX@ || @PYTHON_EXECUTABLE@ @SCRIPTSDIR@/@ERROR_CMD@
diff --git a/buildconfig/CMake/Packaging/launch_mantidworkbench.sh.in b/buildconfig/CMake/Packaging/launch_mantidworkbench.sh.in
new file mode 100644
index 0000000000000000000000000000000000000000..25a5d1354b675f266e61a519bb321768cf9d066f
--- /dev/null
+++ b/buildconfig/CMake/Packaging/launch_mantidworkbench.sh.in
@@ -0,0 +1,29 @@
+#!/bin/sh
+#
+# Launch Mantidplot using any necessary LD_PRELOAD or software collection behaviour
+#
+# Script is configured by CMake
+
+# Find out where we are
+THISFILE=$(readlink -f "$0")
+INSTALLDIR=$(dirname $THISFILE) # directory of executable
+INSTALLDIR=$(dirname $INSTALLDIR) # root install directory
+
+@MTD_PATH_DEFINITION@
+
+@TCMALLOC_DEFINITIONS@
+
+@VIRTUAL_GL_WRAPPER@
+
+# Define where python libraries are
+LOCAL_PYTHONPATH=@LOCAL_PYPATH@@PARAVIEW_PYTHON_PATHS@
+if [ -n "${PYTHONPATH}" ]; then
+ LOCAL_PYTHONPATH=${LOCAL_PYTHONPATH}:${PYTHONPATH}
+fi
+
+@GDB_DEFINITIONS@
+
+LD_PRELOAD=${LOCAL_PRELOAD} TCMALLOC_RELEASE_RATE=${TCM_RELEASE} \
+ TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD=${TCM_REPORT} \
+ PYTHONPATH=${LOCAL_PYTHONPATH} \
+ @WRAPPER_PREFIX@$VGLRUN $GDB @PYTHON_EXECUTABLE@ $INSTALLDIR/bin/@MANTIDWORKBENCH_EXEC@ $*@WRAPPER_POSTFIX@ || @PYTHON_EXECUTABLE@ @SCRIPTSDIR@/@ERROR_CMD@
diff --git a/buildconfig/CMake/Packaging/mantidpython.in b/buildconfig/CMake/Packaging/mantidpython.in
index 668620b986878f3a36a9dd9e47801860871eb9e4..1b9df21e90ce8a6ec06ea990e83108b3688746df 100755
--- a/buildconfig/CMake/Packaging/mantidpython.in
+++ b/buildconfig/CMake/Packaging/mantidpython.in
@@ -5,74 +5,44 @@
# Script is configured by CMake
# Find out where we are
-SCRIPTFILE=$(readlink -f "$0")
-INSTALLDIR=${SCRIPTFILE%/*}
+THISFILE=$(readlink -f "$0")
+INSTALLDIR=$(dirname $THISFILE) # directory of executable
+INSTALLDIR=$(dirname $INSTALLDIR) # root install directory
-# Define extra libraries and load paths
-LOCAL_PRELOAD=@TCMALLOC_RUNTIME_LIB@
-if [ -n "${LD_PRELOAD}" ]; then
- LOCAL_PRELOAD=${LOCAL_PRELOAD}:${LD_PRELOAD}
-fi
-if [ -z "${TCMALLOC_RELEASE_RATE}" ]; then
- TCM_RELEASE=10000
-else
- TCM_RELEASE=${TCMALLOC_RELEASE_RATE}
-fi
-LOCAL_LDPATH=@EXTRA_LDPATH@:${LD_LIBRARY_PATH}
+@MTD_PATH_DEFINITION@
-# Define when to report large memory allocation
-if [ -z "${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}" ]; then
- # total available memory
- TCM_REPORT=$(grep MemTotal /proc/meminfo --color=never | awk '{print $2}')
- # half of available memory
- TCM_REPORT=`expr 512 \* $TCM_REPORT`
- # minimum is 1GB
- if [ ${TCM_REPORT} -le 1073741824 ]; then
- TCM_REPORT=1073741824
- fi
-else
- TCM_REPORT=${TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD}
+@TCMALLOC_DEFINITIONS@
+
+LOCAL_LDPATH=@EXTRA_LDPATH@
+if [ -n "${LD_LIBRARY_PATH}" ]; then
+ LOCAL_LDPATH=${LOCAL_LDPATH}:${LD_LIBRARY_PATH}
fi
# Define paraview information
-PV_PLUGIN_PATH="${INSTALLDIR}/pvplugins/pvplugins"
+PV_PLUGIN_PATH="${INSTALLDIR}/plugins/paraview/qt4"
-# Define extra libraries for python
-LOCAL_PYTHONPATH=${INSTALLDIR}@PARAVIEW_PYTHON_PATHS@
+# Define where python libraries are
+LOCAL_PYTHONPATH=${INSTALLDIR}/bin:@LOCAL_PYPATH@@PARAVIEW_PYTHON_PATHS@
if [ -n "${PYTHONPATH}" ]; then
LOCAL_PYTHONPATH=${LOCAL_PYTHONPATH}:${PYTHONPATH}
fi
-# Define QT_API to pyqt if not provided
-if [ -z "${QT_API}" ]; then
- QT_API=pyqt
-fi
-
-# Define MANTIDPATH
-MANTIDPATH="${INSTALLDIR}"
-
if [ -n "$1" ] && [ "$1" = "--classic" ]; then
shift
-
set -- @WRAPPER_PREFIX@@PYTHON_EXECUTABLE@ $*@WRAPPER_POSTFIX@
-
elif [ -n "$1" ] && [ -n "$2" ] && [ "$1" = "-n" ]; then
ranks=$2
shift 2
set -- mpirun -n $ranks @WRAPPER_PREFIX@@PYTHON_EXECUTABLE@ $*@WRAPPER_POSTFIX@
-
else
IPYTHON_STARTUP="import IPython;IPython.start_ipython()"
-
set -- @WRAPPER_PREFIX@@PYTHON_EXECUTABLE@ -c "${IPYTHON_STARTUP}" $*@WRAPPER_POSTFIX@
-
fi
-
LD_PRELOAD=${LOCAL_PRELOAD} TCMALLOC_RELEASE_RATE=${TCM_RELEASE} \
- TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD=${TCM_REPORT} \
- LD_LIBRARY_PATH=${LOCAL_LDPATH} QT_API=${QT_API} \
- PV_PLUGIN_PATH=${PV_PLUGIN_PATH} \
- MANTIDPATH=${MANTIDPATH} \
- PYTHONPATH=${LOCAL_PYTHONPATH} \
- exec "$@"
+ TCMALLOC_LARGE_ALLOC_REPORT_THRESHOLD=${TCM_REPORT} \
+ PYTHONPATH=${LOCAL_PYTHONPATH} \
+ LD_LIBRARY_PATH=${LOCAL_LDPATH} \
+ PV_PLUGIN_PATH=${PV_PLUGIN_PATH} \
+ exec "$@"
+#
diff --git a/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_install.sh.in b/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_install.sh.in
index 98e6a3106cb167bc5edf26dd5acc56138cc8e5ed..671583b86c43ad6f2908d78ddb3ed39090f7f79c 100644
--- a/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_install.sh.in
+++ b/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_install.sh.in
@@ -12,6 +12,7 @@ if [ -f $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot ]; then
if [ ! -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot ]; then
ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot
fi
+ # create link to old name so upgrading from old packages doesn't delete the executable
if [ ! -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot ]; then
ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot
fi
@@ -24,11 +25,20 @@ if [ ${ENVVARS_ON_INSTALL} -eq 1 ]; then
ln -s $RPM_INSTALL_PREFIX0/@ETC_DIR@/mantid.csh /etc/profile.d/mantid.csh
ln -s $RPM_INSTALL_PREFIX0/@ETC_DIR@/mantid.pth @PYTHON_SITE@/mantid.pth
else
- # Create symbolic links in world's path
- if [ ! -L /usr/bin/mantidplot@CPACK_PACKAGE_SUFFIX@ ]; then
- ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh /usr/bin/mantidplot@CPACK_PACKAGE_SUFFIX@
+ # symbolic links in world's path of mantidplot
+ if [ -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot ]; then
+ if [ ! -L /usr/bin/mantidplot@CPACK_PACKAGE_SUFFIX@ ]; then
+ ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot /usr/bin/mantidplot@CPACK_PACKAGE_SUFFIX@
+ fi
fi
+ # symbolic link for mantidpython
if [ ! -L /usr/bin/mantidpython@CPACK_PACKAGE_SUFFIX@ ]; then
ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidpython /usr/bin/mantidpython@CPACK_PACKAGE_SUFFIX@
fi
+ # link the workbench if it exists
+ if [ -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidworkbench ]; then
+ if [ ! -L /usr/bin/mantidworkbench@CPACK_PACKAGE_SUFFIX@ ]; then
+ ln -s $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidworkbench /usr/bin/mantidworkbench@CPACK_PACKAGE_SUFFIX@
+ fi
+ fi
fi
diff --git a/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_uninstall.sh.in b/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_uninstall.sh.in
index 3b54e3bb45e7be20ac992f5c472446c0f6eda349..2ab08a710e0427a09c742c4dfa561f306f676fbb 100644
--- a/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_uninstall.sh.in
+++ b/buildconfig/CMake/Packaging/rpm/scripts/rpm_post_uninstall.sh.in
@@ -10,8 +10,10 @@ ENVVARS_ON_INSTALL=@ENVVARS_ON_INSTALL_INT@
# Remove exe and links only if it looks like we were removed
# and not upgraded. If launch_mantidplot.sh exists then package
# has been upgraded and MantidPlot_exe replaced so don't touch anything
-if [ ! -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh ]; then
- rm $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot_exe
+if [ ! -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh ]; then
+ if [ -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot_exe ]; then
+ rm $RPM_INSTALL_PREFIX0/@BIN_DIR@/MantidPlot_exe
+ fi
if [ ${ENVVARS_ON_INSTALL} -eq 1 ]; then
if [ -h /etc/profile.d/mantid.sh ]; then
@@ -40,6 +42,10 @@ if [ ! -e $RPM_INSTALL_PREFIX0/@BIN_DIR@/launch_mantidplot.sh ]; then
if [ -L $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot ]; then
rm $RPM_INSTALL_PREFIX0/@BIN_DIR@/mantidplot
fi
+
+ if [ -L /usr/bin/mantidworkbench@CPACK_PACKAGE_SUFFIX@ ]; then
+ rm /usr/bin/mantidworkbench@CPACK_PACKAGE_SUFFIX@
+ fi
fi
# If the install prefix contains mantid then prune empty directories.
diff --git a/buildconfig/CMake/PythonPackageTargetFunctions.cmake b/buildconfig/CMake/PythonPackageTargetFunctions.cmake
new file mode 100644
index 0000000000000000000000000000000000000000..afcc9daed46436c60aec95292fcc6fc9ac41d0d0
--- /dev/null
+++ b/buildconfig/CMake/PythonPackageTargetFunctions.cmake
@@ -0,0 +1,79 @@
+# Defines functions to help deal with python packages
+
+# Function to create links to python packages in the source tree
+# If the EXECUTABLE option is provided then it additional build rules are
+# defined to ensure startup scripts are regenerated appropriately
+function ( add_python_package pkg_name )
+ # Create a setup.py file if necessary
+ set ( _setup_py ${CMAKE_CURRENT_SOURCE_DIR}/setup.py )
+ set ( _setup_py_build_root ${CMAKE_CURRENT_BINARY_DIR} )
+ if ( EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/setup.py.in" )
+ set ( SETUPTOOLS_BUILD_COMMANDS_DEF
+"def patch_setuptools_command(cmd_cls_name):
+ import importlib
+ cmd_module = importlib.import_module('setuptools.command.' + cmd_cls_name)
+ setuptools_command_cls = getattr(cmd_module, cmd_cls_name)
+
+ class CustomCommand(setuptools_command_cls):
+ user_options = setuptools_command_cls.user_options[:]
+ boolean_options = setuptools_command_cls.boolean_options[:]
+ def finalize_options(self):
+ build_cmd = self.get_finalized_command('build')
+ self.build_lib = '${_setup_py_build_root}/build'
+ setuptools_command_cls.finalize_options(self)
+
+ return CustomCommand
+
+CustomBuildPy = patch_setuptools_command('build_py')
+CustomInstall = patch_setuptools_command('install')
+CustomInstallLib = patch_setuptools_command('install_lib')
+" )
+ set ( SETUPTOOLS_BUILD_COMMANDS_USE "cmdclass={'build_py': CustomBuildPy, 'install': CustomInstall, 'install-lib': CustomInstallLib }" )
+ configure_file ( ${CMAKE_CURRENT_SOURCE_DIR}/setup.py.in ${_setup_py} @ONLY )
+ endif ()
+
+ set ( _egg_link_dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR} )
+ set ( _egg_link ${_egg_link_dir}/${pkg_name}.egg-link )
+
+ if ( ARGC GREATER 1 AND "${ARGN}" STREQUAL "EXECUTABLE" )
+ if ( WIN32 )
+ set ( _startup_script ${_egg_link_dir}/${pkg_name}-script.pyw )
+ set ( _startup_exe ${_egg_link_dir}/${pkg_name}.exe )
+ else ()
+ set ( _startup_script )
+ set ( _startup_exe ${_egg_link_dir}/${pkg_name} )
+ endif ()
+ endif ()
+
+ # create the developer setup which just creates a pth file rather than copying things over
+ set ( _outputs ${_egg_link} ${_startup_script} ${_startup_exe} )
+ add_custom_command ( OUTPUT ${_outputs}
+ COMMAND ${CMAKE_COMMAND} -E env PYTHONPATH=${_egg_link_dir}
+ ${PYTHON_EXECUTABLE} ${_setup_py} develop
+ --install-dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR}
+ --script-dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR}
+ WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
+ DEPENDS ${_setup_py}
+ )
+ add_custom_target ( ${pkg_name} ALL
+ DEPENDS ${_outputs}
+ )
+
+ if ( ${PACKAGE_WORKBENCH} )
+ # setuptools by default wants to build into a directory called 'build' relative the to the working directory. We have overridden
+ # commands in setup.py.in to force the build directory to take place out of source. The install directory is specified here and then
+ # --install-scripts=bin --install-lib=lib removes any of the plaform/distribution specific install directories so we can have a flat
+ # structure
+ install(CODE "execute_process(COMMAND ${PYTHON_EXECUTABLE} ${_setup_py} install -O1 --single-version-externally-managed --root=${_setup_py_build_root}/install --install-scripts=bin --install-lib=lib WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR})")
+ # register the "installed" components with cmake so it will carry them over
+ install(DIRECTORY ${_setup_py_build_root}/install/lib
+ DESTINATION .
+ PATTERN "test" EXCLUDE )
+
+ # install the generated executable - only tested with "workbench"
+ if ( ARGC GREATER 1 AND "${ARGN}" STREQUAL "EXECUTABLE" )
+ install(PROGRAMS ${_setup_py_build_root}/install/bin/${pkg_name}
+ DESTINATION bin)
+ endif()
+ endif()
+endfunction ()
diff --git a/buildconfig/CMake/QtTargetFunctions.cmake b/buildconfig/CMake/QtTargetFunctions.cmake
index 7314faba29176e1386d232ea2e288345709851e6..01772f4b161f53eb6ef84cacfea6075cc3e8dbdb 100644
--- a/buildconfig/CMake/QtTargetFunctions.cmake
+++ b/buildconfig/CMake/QtTargetFunctions.cmake
@@ -214,13 +214,11 @@ function (mtd_add_qt_target)
_append_qt_suffix (AS_DIR VERSION ${PARSED_QT_VERSION} OUTPUT_VARIABLE _install_dir
${PARSED_INSTALL_DIR_BASE})
else()
- set ( _install_dir ${LIB_DIR} )
+ set ( _install_dir "" )
+ message ( FATAL_ERROR "Target: ${_target} is configured to build but has no install destination" )
endif()
- # Hack: Only install Qt4 to packages for now...
- if (${PARSED_QT_VERSION} EQUAL 4)
- install ( TARGETS ${_target} ${SYSTEM_PACKAGE_TARGET} DESTINATION ${_install_dir} )
- endif()
- endif()
+ mtd_install_qt_library ( ${PARSED_QT_VERSION} ${_target} "${SYSTEM_PACKAGE_TARGET}" ${_install_dir} )
+ endif ()
# Group into folder for VS
set_target_properties ( ${_target} PROPERTIES FOLDER "Qt${PARSED_QT_VERSION}" )
@@ -234,6 +232,17 @@ function (mtd_add_qt_target)
endfunction()
+# Create an install rule for a Qt target
+# - qt_version The version of Qt targeted
+# - target The name of the target
+# - install_target_type The type of target that should be installed. See https://cmake.org/cmake/help/latest/command/install.html?highlight=install
+# - install_dir A relative directory to install_prefix
+function (mtd_install_qt_library qt_version target install_target_type install_dir )
+ if ( qt_version EQUAL 4 OR (qt_version EQUAL 5 AND ${PACKAGE_WORKBENCH}) )
+ install ( TARGETS ${target} ${install_target_type} DESTINATION ${install_dir} )
+ endif ()
+endfunction ()
+
function (mtd_add_qt_tests)
_qt_versions(_qt_vers ${ARGN})
# Create targets
diff --git a/buildconfig/CMake/SipQtTargetFunctions.cmake b/buildconfig/CMake/SipQtTargetFunctions.cmake
index 120ad0175939f086b12674900e8a3874cb885081..85c049f710054a0027fdd9698a5649090d320509 100644
--- a/buildconfig/CMake/SipQtTargetFunctions.cmake
+++ b/buildconfig/CMake/SipQtTargetFunctions.cmake
@@ -3,7 +3,7 @@
# of .sip definitions
include ( QtTargetFunctions )
-#
+
# brief: Add a module target to generate Python bindings
# for a set of sip sources. The sources list should be a list of filenames
# without a path. The .sip module is generated in the CMAKE_CURRENT_BINARY_DIR
@@ -17,6 +17,9 @@ include ( QtTargetFunctions )
# keyword: LINK_LIBS A list of additional target_link_libraries
# keyword: PYQT_VERSION A single value indicating the version of PyQt
# to compile against
+# keyword: INSTALL_DIR The target location for installing this library
+# keyword: OSX_INSTALL_RPATH Install path for osx version > 10.8
+# keyword: LINUX_INSTALL_RPATH Install path for CMAKE_SYSTEM_NAME == Linux
function ( mtd_add_sip_module )
find_file ( _sipmodule_template_path NAME sipqtmodule_template.sip.in
PATHS ${CMAKE_MODULE_PATH} )
@@ -27,7 +30,7 @@ function ( mtd_add_sip_module )
set ( options )
set ( oneValueArgs MODULE_NAME TARGET_NAME MODULE_OUTPUT_DIR
PYQT_VERSION FOLDER )
- set ( multiValueArgs SIP_SRCS HEADER_DEPS INCLUDE_DIRS LINK_LIBS OSX_INSTALL_RPATH LINUX_INSTALL_RPATH )
+ set ( multiValueArgs SIP_SRCS HEADER_DEPS INCLUDE_DIRS LINK_LIBS INSTALL_DIR OSX_INSTALL_RPATH LINUX_INSTALL_RPATH )
cmake_parse_arguments ( PARSED "${options}" "${oneValueArgs}"
"${multiValueArgs}" ${ARGN} )
@@ -106,6 +109,10 @@ function ( mtd_add_sip_module )
endif ()
endif ()
+ if ( PARSED_INSTALL_DIR AND PACKAGE_WORKBENCH)
+ mtd_install_qt_library ( ${PARSED_PYQT_VERSION} ${PARSED_TARGET_NAME} "" ${PARSED_INSTALL_DIR} )
+ endif ()
+
if ( WIN32 )
set_target_properties( ${PARSED_TARGET_NAME} PROPERTIES PREFIX "" SUFFIX ".pyd" )
if ( PYTHON_DEBUG_LIBRARY )
diff --git a/buildconfig/Jenkins/buildscript b/buildconfig/Jenkins/buildscript
index 7f5edb19d98c68f0420e5bca482a824c1ca135b8..2a79c6fdf5e2e03887ce614b98fb278edadeb3c6 100755
--- a/buildconfig/Jenkins/buildscript
+++ b/buildconfig/Jenkins/buildscript
@@ -229,8 +229,9 @@ if [[ ${DO_BUILD_PKG} == true ]]; then
PACKAGINGVARS="-DPACKAGE_DOCS=ON"
# Set some variables relating to the linux packages
if [[ "${ON_MACOS}" == true ]]; then
- PACKAGINGVARS="${PACKAGINGVARS} -DCPACK_PACKAGE_SUFFIX="
+ PACKAGINGVARS="${PACKAGINGVARS} -DPACKAGE_WORKBENCH=OFF -DCPACK_PACKAGE_SUFFIX="
else
+ PACKAGINGVARS="${PACKAGINGVARS} -DPACKAGE_WORKBENCH=ON"
# Use different suffix for linux builds if parameter is not defined
if [[ -n "${PACKAGE_SUFFIX}" ]]; then
echo "Using PACKAGE_SUFFIX=${PACKAGE_SUFFIX} from job parameter"
@@ -293,7 +294,7 @@ rm -f -- *.dmg *.rpm *.deb *.tar.gz *.tar.xz
###############################################################################
# CMake configuration
###############################################################################
-$SCL_ENABLE "${CMAKE_EXE} ${CMAKE_GENERATOR} -DCMAKE_BUILD_TYPE=${BUILD_CONFIG} -DENABLE_CPACK=ON -DMAKE_VATES=ON -DParaView_DIR=${PARAVIEW_DIR} -DMANTID_DATA_STORE=${MANTID_DATA_STORE} -DDOCS_HTML=ON -DENABLE_CONDA=ON -DENABLE_WORKBENCH=ON -DENABLE_FILE_LOGGING=OFF ${DIST_FLAGS} ${PACKAGINGVARS} ${CLANGTIDYVAR} .."
+$SCL_ENABLE "${CMAKE_EXE} ${CMAKE_GENERATOR} -DCMAKE_BUILD_TYPE=${BUILD_CONFIG} -DENABLE_CPACK=ON -DMAKE_VATES=ON -DParaView_DIR=${PARAVIEW_DIR} -DMANTID_DATA_STORE=${MANTID_DATA_STORE} -DDOCS_HTML=ON -DENABLE_CONDA=ON -DENABLE_WORKBENCH=ON ${DIST_FLAGS} ${PACKAGINGVARS} ${CLANGTIDYVAR} .."
###############################################################################
# Coverity build should exit early
diff --git a/buildconfig/Jenkins/buildscript.bat b/buildconfig/Jenkins/buildscript.bat
index 7244fd4fd2b4f31da34e7a21d058263ef7b2cbdb..8a7d9211c778f75ecf4b43c5778b5dbe115332a6 100755
--- a/buildconfig/Jenkins/buildscript.bat
+++ b/buildconfig/Jenkins/buildscript.bat
@@ -150,7 +150,7 @@ if not "%JOB_NAME%"=="%JOB_NAME:debug=%" (
) else (
set VATES_OPT_VAL=ON
)
-call cmake.exe -G "%CM_GENERATOR%" -DCMAKE_SYSTEM_VERSION=%SDK_VERSION% -DCONSOLE=OFF -DENABLE_CPACK=ON -DMAKE_VATES=%VATES_OPT_VAL% -DParaView_DIR=%PARAVIEW_DIR% -DMANTID_DATA_STORE=!MANTID_DATA_STORE! -DENABLE_WORKBENCH=ON -DUSE_PRECOMPILED_HEADERS=ON -DENABLE_FILE_LOGGING=OFF %PACKAGE_OPTS% ..
+call cmake.exe -G "%CM_GENERATOR%" -DCMAKE_SYSTEM_VERSION=%SDK_VERSION% -DCONSOLE=OFF -DENABLE_CPACK=ON -DMAKE_VATES=%VATES_OPT_VAL% -DParaView_DIR=%PARAVIEW_DIR% -DMANTID_DATA_STORE=!MANTID_DATA_STORE! -DENABLE_WORKBENCH=ON -DPACKAGE_WORKBENCH=OFF -DUSE_PRECOMPILED_HEADERS=ON %PACKAGE_OPTS% ..
if ERRORLEVEL 1 exit /B %ERRORLEVEL%
:::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::
diff --git a/dev-docs/source/GettingStartedWithPyCharm.rst b/dev-docs/source/GettingStartedWithPyCharm.rst
index 58aa3852d64eb2c6a248ed9807da7d30b75e407a..8d138d26e53fd04c859ee59410267e4cc67930f2 100644
--- a/dev-docs/source/GettingStartedWithPyCharm.rst
+++ b/dev-docs/source/GettingStartedWithPyCharm.rst
@@ -103,3 +103,18 @@ On Linux the instructions are identical to Windows except that :
- In step 1, the file is ``pycharm.sh`` rather than ``pycharm.bat``
- In step 2, use the native python interpreter (``/usr/bin/python2.7/python.exe``) rather than from ``<Mantid Source Directory>/external/src/ThirdParty/lib/python2.7/python.exe``
- In step 4, add ``<Mantid Build Directory>/bin;`` to the ``PATH`` environment variable in the new configuration (rather than ``<Mantid Build Directory>/bin/Debug;``), and remove the other three file paths.
+
+Useful Plugins
+##############
+
+You can install non-default plugins by pressing ``Ctrl+Alt+S`` to open the **Settings/Preferences** dialog and then going to **Plugins**.
+From here you can manage plugins, or add new ones by clicking **Browse repositories**.
+
+The following non-default plugins are things our team has found useful for Mantid development:
+
+- **Markdown support** - Side by side rendering of markdown documents such as``.md`` , ``.rst`` (requires `Graphviz <https://graphviz.gitlab.io/download/>`_ to show graphs in preview)
+- **dotplugin** - Syntax highlighting for ``DOT``
+- **BashSupport** - Syntax highlighting for ``BASH`` scripts
+- **CMD Support** - Syntax highlighting for ``.BAT`` ~scripts
+
+Please add to this list if you find a useful plugin of your own
diff --git a/dev-docs/source/IndividualTicketTesting.rst b/dev-docs/source/IndividualTicketTesting.rst
new file mode 100644
index 0000000000000000000000000000000000000000..de0d31601d3e47794da51efd1edd3033d7f78377
--- /dev/null
+++ b/dev-docs/source/IndividualTicketTesting.rst
@@ -0,0 +1,50 @@
+.. _IndividualTicketTesting:
+
+=========================
+Individual Ticket Testing
+=========================
+
+An important step in our :ref:`development workflow <GitWorkflow>` is the testing of individual issues/tickets after the development on them is complete, and before the code is merges into the master branch. Developers pick one from `the list <https://github.com/mantidproject/mantid/pulls>`_ of completed issues and perform a number of verification steps on it. The mechanics of testing a pull request (e.g. the git commands to use) are described :ref:`here <GitWorkflow>`. This page is concerned with the aspects that should be considered in deciding whether a pull request should be recommended to merge or sent back to the developer for further work. *There should be very little reluctance to reopen a ticket even for minor issues.*
+
+Code Review
+===========
+
+The code changes should be manually reviewed (the github compare view is ideal for this). A couple of pieces on the value of code review can be found at `scientopia <http://scientopia.org/blogs/goodmath/2011/07/06/things-everyone-should-do-code-review>`_ and `codinghorror <http://www.codinghorror.com/blog/2006/01/code-reviews-just-do-it.html>`_.
+
+* The primary aim is to find bugs that the developer and tests so far have not spotted.
+* But also consider whether the code is 'clean', well-structured and easy to read/maintain.
+* Part of this is that:
+
+ * There should be are no compiler (or doxygen) warnings coming from any modified classes
+ * The code conforms to our :ref:`coding standards <MantidStandards>`.
+
+* Unit tests (or system tests if more appropriate) should be checked that they:
+
+ * Exist and give adequate coverage (see :ref:`unit testing practices <UnitTestGoodPractice>`).
+ * If the ticket is fixing a bug there should be a test that makes sure we don't have to fix the same bug again!
+ * Do not load real data (data loading algorithms get a free pass on this one).
+ * Leave the system in the same state that they found it (i.e. clean up).
+ * Have a performance test, if appropriate.
+
+* Check that any user documentation is adequate and that there are release notes. In the case of new algorithms, there should be an accompanying ``*.rst`` file that has been added, containing an explanation of what exactly the algorithm does along with Python usage examples.
+
+Functional Testing
+==================
+
+The first thing to note is that this should **not** just be a quick check of whatever the ticket says it does. Testing should be as much, if not more, about making sure the code *does not do what it's not supposed to do* as that it *does do what it's supposed to*.
+
+* All of the builds pass
+* The developer should have included instructions in the ticket of how to test things work.
+* But, as noted above, don’t just do that – also try to break it: click random buttons on GUIs, give unexpected/invalid inputs, etc.
+* Note down what you did in the ticket, and the platform you did it on.
+
+If all the requirements have been met and documented approve the PR using `GitHub's review mechanism <https://help.github.com/articles/about-pull-request-reviews/>`_.
+
+Gatekeeper
+==========
+
+The ``@mantidproject/gatekeepers`` group is who is meant to merge pull requests into master. This is done by social contract. A gatekeeper can ``merge`` code if:
+
+* Green tick on the last build indicating all automated testing has succeeded
+* Adequate tests, both success and failure cases have been performed
+* There is comment on the code being reviewed
diff --git a/dev-docs/source/Standards/MantidStandards.rst b/dev-docs/source/Standards/MantidStandards.rst
index adfa95c3beecd23abf4a54afb0fd2f2394b5ca90..b8533c1da97b1a97e2b9fc00d027b425c4b537c4 100644
--- a/dev-docs/source/Standards/MantidStandards.rst
+++ b/dev-docs/source/Standards/MantidStandards.rst
@@ -1,3 +1,5 @@
+.. _MantidStandards:
+
================
Mantid Standards
================
@@ -106,7 +108,7 @@ Parameter names must:
- Start with a capital letter
- Have a capital letter for each new word (e.g. 'InputWorkspace')
- Use alphanumeric characters only (i.e. cannot contain any of these ``/,._-'\"`` or whitespace)
-- Can contain numbers but only allowed after the first character.
+- Can contain numbers but only allowed after the first character.
Notable exceptions to these rules are lattice constants (i.e. a, b, c,
alpha, beta, gamma).
diff --git a/dev-docs/source/index.rst b/dev-docs/source/index.rst
index f03b7c4e3dad06d0709ea427a9f8b7e30435186d..a951ad20986b624cdf8c29953a99626affefc34e 100644
--- a/dev-docs/source/index.rst
+++ b/dev-docs/source/index.rst
@@ -125,7 +125,7 @@ Tools
:doc:`GettingStartedWithPyCharm`
Describes how to set up the PyCharm interpreter, and debug python code (Windows/Linux only).
-
+
:doc:`Eclipse`
Guide to setting up Eclipse on Ubuntu
@@ -139,6 +139,7 @@ Testing
RunningTheUnitTests
DebuggingUnitTests
UnitTestGoodPractice
+ IndividualTicketTesting
WritingPerformanceTests
SystemTests
DataFilesForTesting
@@ -153,6 +154,9 @@ Testing
:doc:`UnitTestGoodPractice`
Guidance on writing good unit tests.
+:doc:`IndividualTicketTesting`
+ What to expect and inspect when reviewing an individual contribution to mantid.
+
:doc:`WritingPerformanceTests`
A walk through of how to write a performance test.
@@ -206,4 +210,3 @@ Component Overviews
RemoteJobSubmissionAPI
WritingAnAlgorithm
WritingCustomConvertToMDTransformation
-
diff --git a/docs/source/algorithms/LoadDNSSCD-v1.rst b/docs/source/algorithms/LoadDNSSCD-v1.rst
index d3b24caaf87f879236a4aa96b3150f23a7673dff..28f2f8d005c83ead775b47e92b15c551ea79c1fc 100644
--- a/docs/source/algorithms/LoadDNSSCD-v1.rst
+++ b/docs/source/algorithms/LoadDNSSCD-v1.rst
@@ -25,7 +25,7 @@ As a result, two workspaces are created:
- `NormalizationWorkspace` contains the choosen normalization data (either monitor counts or experiment duration time).
-Both workspaces have :math:`(H,K,L)` dimensions. The metadata are loaded into time series sample logs.
+Both workspaces have :math:`(H,K,L,dE)` dimensions. The metadata are loaded into time series sample logs.
.. note::
@@ -36,11 +36,11 @@ Restrictions
- This algorithm only supports the *DNS* instrument in its configuration with one detector bank (polarisation analysis).
-- This algorithm does not support DNS TOF mode data. It is meant only for single crystal diffraction experiments with 1 TOF channel.
+- This algorithm does not allow to merge datasets with different number of TOF channels.
Data replication
-________________
+----------------
For standard data (vanadium, NiCr, background) the sample rotation angle is assumed to be not important. These data are typically measured only for one sample rotation angle. The algorithm can replicate these data for the same sample rotation angles as a single crystal sample has been measured. For this purpose optional input fields *SaveHuberTo* and *LoadHuberFrom* can be used.
@@ -91,7 +91,7 @@ Usage
dimension.getUnits()))
# print information about the table workspace
- print ("TableWorkspace '{0}' has {1} row in the column '{2}'.".format(huber_ws.getName(),
+ print ("TableWorkspace '{0}' has {1} row in the column '{2}'.".format(huber_ws.name(),
huber_ws.rowCount(),
huber_ws.getColumnNames()[0]))
print("It contains sample rotation angle {} degrees".format(huber_ws.cell(0, 0)))
@@ -100,11 +100,12 @@ Usage
.. testoutput:: LoadDNSSCDEx1
- Output Workspace Type is: MDEventWorkspace<MDEvent,3>
- It has 24 events and 3 dimensions:
+ Output Workspace Type is: MDEventWorkspace<MDEvent,4>
+ It has 24 events and 4 dimensions:
Dimension 0 has name: H, id: H, Range: -15.22 to 15.22 r.l.u
Dimension 1 has name: K, id: K, Range: -15.22 to 15.22 r.l.u
Dimension 2 has name: L, id: L, Range: -41.95 to 41.95 r.l.u
+ Dimension 3 has name: DeltaE, id: DeltaE, Range: -10.00 to 4.64 r.l.u
TableWorkspace 'huber_ws' has 1 row in the column 'Huber(degrees)'.
It contains sample rotation angle 79.0 degrees
@@ -147,10 +148,10 @@ Usage
.. testoutput:: LoadDNSSCDEx2
- Output Workspace Type is: MDEventWorkspace<MDEvent,3>
- It has 10 events and 3 dimensions.
- Normalization Workspace Type is: MDEventWorkspace<MDEvent,3>
- It has 10 events and 3 dimensions.
+ Output Workspace Type is: MDEventWorkspace<MDEvent,4>
+ It has 10 events and 4 dimensions.
+ Normalization Workspace Type is: MDEventWorkspace<MDEvent,4>
+ It has 10 events and 4 dimensions.
**Example 3 - Load sample rotation angles from the table**
@@ -186,17 +187,18 @@ Usage
print("It has {0} events and {1} dimensions.".format(ws.getNEvents(), ws.getNumDims()))
# setting for the BinMD algorithm
- bvec0 = '[100],unit,1,0,0'
- bvec1 = '[001],unit,0,0,1'
- bvec2 = '[010],unit,0,1,0'
- extents = '-2,1.5,-0.2,6.1,-10,10'
- bins = '10,10,1'
+ bvec0 = '[100],unit,1,0,0,0'
+ bvec1 = '[001],unit,0,0,1,0'
+ bvec2 = '[010],unit,0,1,0,0'
+ bvec3 = 'dE,meV,0,0,0,1'
+ extents = '-2,1.5,-0.2,6.1,-10,10,-10,4.6'
+ bins = '10,10,1,1'
# bin the data
- data_raw = BinMD(ws, AxisAligned='0', BasisVector0=bvec0, BasisVector1=bvec1,
- BasisVector2=bvec2, OutputExtents=extents, OutputBins=bins, NormalizeBasisVectors='0')
+ data_raw = BinMD(ws, AxisAligned='0', BasisVector0=bvec0, BasisVector1=bvec1, BasisVector2=bvec2,
+ BasisVector3=bvec3, OutputExtents=extents, OutputBins=bins, NormalizeBasisVectors='0')
# bin normalization
- data_norm = BinMD(ws_norm, AxisAligned='0', BasisVector0=bvec0, BasisVector1=bvec1,
- BasisVector2=bvec2, OutputExtents=extents, OutputBins=bins, NormalizeBasisVectors='0')
+ data_norm = BinMD(ws_norm, AxisAligned='0', BasisVector0=bvec0, BasisVector1=bvec1, BasisVector2=bvec2,
+ BasisVector3=bvec3, OutputExtents=extents, OutputBins=bins, NormalizeBasisVectors='0')
# normalize data
data = data_raw/data_norm
@@ -204,16 +206,17 @@ Usage
print("Reduced Workspace Type is: {}".format(data.id()))
print("It has {} dimensions.".format(data.getNumDims()))
s = data.getSignalArray()
- print("Signal at some points: {0:.4f}, {1:.4f}, {2:.4f}".format(s[7,1][0], s[7,2][0], s[7,3][0]))
+ print("Signal at some points: {0:.4f}, {1:.4f}, {2:.4f}".format(
+ float(s[7,1][0]), float(s[7,2][0]), float(s[7,3][0])))
**Output:**
.. testoutput:: LoadDNSSCDEx3
- Output Workspace Type is: MDEventWorkspace<MDEvent,3>
- It has 240 events and 3 dimensions.
+ Output Workspace Type is: MDEventWorkspace<MDEvent,4>
+ It has 240 events and 4 dimensions.
Reduced Workspace Type is: MDHistoWorkspace
- It has 3 dimensions.
+ It has 4 dimensions.
Signal at some points: 0.0035, 0.0033, 0.0035
.. categories::
diff --git a/docs/source/algorithms/LoadWAND-v1.rst b/docs/source/algorithms/LoadWAND-v1.rst
index e42fefb113a075212f4ba28a5b21932c003d25d9..c2229dcb094fd5b93a7606463463a411a8f44571 100644
--- a/docs/source/algorithms/LoadWAND-v1.rst
+++ b/docs/source/algorithms/LoadWAND-v1.rst
@@ -32,6 +32,11 @@ numbers, see Usage example bellow. If multiple files are loaded they
will be named 'OutputWorkspace'+'_runnumber' and be grouped in
'OutputWorkspace'.
+There is a grouping option to group pixels by either 2x2 or 4x4 which
+will help in reducing memory usage and speed up the later reduction
+steps. In most cases you will not see a difference in reduced data
+with 4x4 pixel grouping.
+
Usage
-----
diff --git a/docs/source/api/python/mantid/api/DetectorInfo.rst b/docs/source/api/python/mantid/api/DetectorInfo.rst
deleted file mode 100644
index c089436d90c88b882fa41ddb854c4ecaadbf3fa3..0000000000000000000000000000000000000000
--- a/docs/source/api/python/mantid/api/DetectorInfo.rst
+++ /dev/null
@@ -1,15 +0,0 @@
-==============
- DetectorInfo
-==============
-
-This a python binding to the C++ class Mantid::API::DetectorInfo.
-
-*bases:* :py:obj:`mantid.api.DetectorInfo`
-
-.. module:`mantid.api`
-
-.. autoclass:: mantid.api.DetectorInfo
- :members:
- :undoc-members:
- :inherited-members:
-
diff --git a/docs/source/api/python/mantid/api/SpectrumInfo.rst b/docs/source/api/python/mantid/api/SpectrumInfo.rst
index 6b8e3c5cf1912f99e8c643bc989139a111e794fe..f66653f6cdbb965d14e84553324c15250a54b0d3 100644
--- a/docs/source/api/python/mantid/api/SpectrumInfo.rst
+++ b/docs/source/api/python/mantid/api/SpectrumInfo.rst
@@ -2,7 +2,7 @@
SpectrumInfo
==============
-This a python binding to the C++ class Mantid::API::SpectrumInfo.
+This is a python binding to the C++ class Mantid::API::SpectrumInfo.
*bases:* :py:obj:`mantid.api.SpectrumInfo`
diff --git a/docs/source/api/python/mantid/geometry/DetectorInfo.rst b/docs/source/api/python/mantid/geometry/DetectorInfo.rst
new file mode 100644
index 0000000000000000000000000000000000000000..d8d0cae824046b23f4496f14af139955cd59b506
--- /dev/null
+++ b/docs/source/api/python/mantid/geometry/DetectorInfo.rst
@@ -0,0 +1,113 @@
+==============
+ DetectorInfo
+==============
+
+This is a python binding to the C++ class Mantid::Geometry::DetectorInfo.
+
+Most of the information concerning ``DetectorInfo`` can be found in the `Instrument Access Layers <https://github.com/mantidproject/mantid/blob/9e3d799d40fda4a5ca08887e8c47f41c3316da91/docs/source/concepts/InstrumentAccessLayers.rst>`_ document.
+
+--------
+Purpose
+--------
+The purpose of the ``DetectorInfo`` object is to allow the user to access information about the detector(s) being used in an experiment. The ``DetectorInfo`` object can be used to access geometric information such as the number of detectors in the beamline, the absolute position of a detector as well as the absolute rotation of a detector.
+
+Many users may need this extra information so that they can have a better understanding of the beamline they are using. This information is easy and fast to access. Some information like mask flags can be modified directly.
+
+The ``DetectorInfo`` object is one of three objects that the user can gain access to from a workspace.
+The other two are:
+
+ * SpectrumInfo
+ * ComponentInfo
+
+---------
+Indexing
+---------
+The ``DetectorInfo`` object is accessed by an index going from 0 to N-1, where N is the number of detectors.
+It is important to note that the detector index is NOT the detector ID. A detector index is a way of addressing and enumerating detectors in the beamline.
+A detector index can be found from a detector ID using ``indexOf``.
+
+-------
+Usage
+-------
+
+**Example 1 - Creating a DetectorInfo Object:**
+This example shows how to obtain a ``DetectorInfo`` object from a workspace object.
+The return value is a ``DetectorInfo`` object.
+
+.. testcode:: CreateDetectorInfoObject
+
+ # Create a workspace to use
+ ws = CreateSampleWorkspace()
+
+ # Get the DetectorInfo object
+ info = ws.detectorInfo()
+ print(type(info))
+
+Output:
+
+.. testoutput:: CreateDetectorInfoObject
+
+ <class 'mantid.geometry._geometry.DetectorInfo'>
+
+
+**Example 2 - Calling Some Methods on the DetectorInfo Object:**
+This example shows how to call a few different methods on the DetectorInfo object.
+
+The ``setMasked`` method takes in an integer ``index`` parameter which corresponds to a detector as well as a boolean ``masked`` parameter.
+The user then has the option to set the masking of the detector identified by ``index`` to ``True`` or ``False``.
+
+The ``twoTheta()`` method takes in an integer ``index`` parameter which represents a detector index.
+The return value is a float which represents the scattering angle with respect to the beam direction.
+
+The ``position()`` method takes an ``index`` parameter which represents a detector index.
+The method returns the absolute position of that detector.
+The returned object is of type ``V3D`` which is a point in 3D space.
+
+The ``size()`` method does not take in any parameters and returns the number of detectors in the instrument.
+One can also use the built in ``__len__`` function to obtain the same result.
+
+.. testcode:: CallMethods
+
+ # Create a workspace to use
+ ws = CreateSampleWorkspace()
+
+ # Get the DetectorInfo object
+ info = ws.detectorInfo()
+
+ # Call setMasked
+ info.setMasked(0, True)
+ print(info.isMasked(0))
+ info.setMasked(0, False)
+ print(info.isMasked(0))
+
+ # Call twoTheta
+ print(info.twoTheta(0))
+
+ # Call the position method
+ print(info.position(0))
+
+ # Call size and __len__
+ print(info.size())
+ print(len(info))
+
+Output:
+
+.. testoutput:: CallMethods
+
+ True
+ False
+ 0.0
+ [0,0,5]
+ 200
+ 200
+
+
+*bases:* :py:obj:`mantid.geometry.DetectorInfo`
+
+.. module:`mantid.geometry`
+
+.. autoclass:: mantid.geometry.DetectorInfo
+ :members:
+ :undoc-members:
+ :inherited-members:
+
diff --git a/docs/source/release/v3.14.0/diffraction.rst b/docs/source/release/v3.14.0/diffraction.rst
index 3e1bebd3e81151c493a06216ef8cad1b26babc30..63cd639b84e49daafc6aae2986973162d3db127d 100644
--- a/docs/source/release/v3.14.0/diffraction.rst
+++ b/docs/source/release/v3.14.0/diffraction.rst
@@ -13,6 +13,8 @@ Improvements
############
- :ref:`SNAPReduce <algm-SNAPReduce>` now has progress bar and all output workspaces have history
+- :ref:`LoadWAND <algm-LoadWAND>` has grouping option added and loads faster
+- Mask workspace option added to :ref:`WANDPowderReduction <algm-WANDPowderReduction>`
:ref:`Release 3.14.0 <v3.14.0>`
diff --git a/docs/source/release/v3.14.0/direct_inelastic.rst b/docs/source/release/v3.14.0/direct_inelastic.rst
index 17c7168d3801571e16d51d9d97e6d1aa702a564f..bd9955f081f110392f1c3585718f87aa85c49086 100644
--- a/docs/source/release/v3.14.0/direct_inelastic.rst
+++ b/docs/source/release/v3.14.0/direct_inelastic.rst
@@ -28,3 +28,8 @@ Improvements
:ref:`Release 3.14.0 <v3.14.0>`
+
+Improvements
+############
+
+- :ref:`LoadDNSSCD <algm-LoadDNSSCD>` has been improved to be able to load TOF data.
diff --git a/docs/source/release/v3.14.0/framework.rst b/docs/source/release/v3.14.0/framework.rst
index 0f3567c74535eaf288d510a9aae48450ee4a00ec..68ff8bc001e92b240993eaa2de48a6452c9f8036 100644
--- a/docs/source/release/v3.14.0/framework.rst
+++ b/docs/source/release/v3.14.0/framework.rst
@@ -55,6 +55,8 @@ Python
New
###
+ - New python validator type: `:class:`~mantid.geometry.OrientedLattice`. Checks whether a workspace has an oriented lattice object attached.
+
Improvements
############
diff --git a/docs/source/release/v3.14.0/muon.rst b/docs/source/release/v3.14.0/muon.rst
index e0350f5c48c7760d3986cbe4afc183fc58ba4701..d7482b1100c2514bae59dd070dbbdc463a54052f 100644
--- a/docs/source/release/v3.14.0/muon.rst
+++ b/docs/source/release/v3.14.0/muon.rst
@@ -11,10 +11,12 @@ Interface
Improvements
############
- Elemental Analysis added to Muon Interfaces: Includes a selectable Periodic Table.
+- TF Asymmetry mode now displays the chi squared value at the top of the browser.
Bugfixes
########
- Results table now includes all logs that are common to all of the loaded files.
+- When turning TF Asymmetry mode off it no longer resets the global options.
Algorithms
----------
diff --git a/docs/source/release/v3.14.0/reflectometry.rst b/docs/source/release/v3.14.0/reflectometry.rst
index 2452fc016e8c72c90d04c3ca47e9e0b478c05408..eb95dda9c5a7fbb39089a7f6a8050a2da203d3cd 100644
--- a/docs/source/release/v3.14.0/reflectometry.rst
+++ b/docs/source/release/v3.14.0/reflectometry.rst
@@ -9,4 +9,8 @@ Reflectometry Changes
putting new features at the top of the section, followed by
improvements, followed by bug fixes.
+Liquids Reflectometer
+---------------------
+- Default x-direction pixel range for the scaling factor calculation is now set to the full width of the detector as opposed to a restricted guess.
+
:ref:`Release 3.14.0 <v3.14.0>`
diff --git a/instrument/V20_4-tubes_150deg_Definition_v01.xml b/instrument/V20_4-tubes_150deg_Definition_v01.xml
index f124bc641ea87c3f4a44f41ad39e96f2a8d04e50..1b270aeaf13d461c0d48798c7af92dbd8341ed7f 100644
--- a/instrument/V20_4-tubes_150deg_Definition_v01.xml
+++ b/instrument/V20_4-tubes_150deg_Definition_v01.xml
@@ -1,6 +1,7 @@
<?xml version="1.0" encoding="UTF-8"?>
<!-- For help on the notation used to specify an Instrument Definition File
see http://www.mantidproject.org/IDF -->
+<!-- IDF configurations can be gound here https://github.com/mantidproject/documents/blob/master/IDF-Configurations/V20_idf_configurations_v05.pptx -->
<instrument xmlns="http://www.mantidproject.org/IDF/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 Schema/IDFSchema.xsd"
name="IMAT" valid-from ="1900-01-31 23:59:59"
valid-to ="2099-12-31 23:59:59"
@@ -19,7 +20,7 @@ last-modified="2018-02-09 09:00:00">
</defaults>
<component type="source-chopper">
- <location x="0.0" y="0.0" z="-50.6"/>
+ <location x="0.0" y="0.0" z="-28.9"/>
</component>
<type name="source-chopper"/>
diff --git a/instrument/V20_4-tubes_90deg_Definition_v01.xml b/instrument/V20_4-tubes_90deg_Definition_v01.xml
index f798c1ca10ba3ef246ea8d465661d3a5c2b51c94..e60b04144da4c94225646941f05b950306304906 100644
--- a/instrument/V20_4-tubes_90deg_Definition_v01.xml
+++ b/instrument/V20_4-tubes_90deg_Definition_v01.xml
@@ -1,6 +1,7 @@
<?xml version="1.0" encoding="UTF-8"?>
<!-- For help on the notation used to specify an Instrument Definition File
see http://www.mantidproject.org/IDF -->
+<!-- IDF configurations can be gound here https://github.com/mantidproject/documents/blob/master/IDF-Configurations/V20_idf_configurations_v05.pptx -->
<instrument xmlns="http://www.mantidproject.org/IDF/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 Schema/IDFSchema.xsd"
name="IMAT" valid-from ="1900-01-31 23:59:59"
valid-to ="2099-12-31 23:59:59"
@@ -19,7 +20,7 @@ last-modified="2018-02-09 09:00:00">
</defaults>
<component type="source-chopper">
- <location x="0.0" y="0.0" z="-50.6"/>
+ <location x="0.0" y="0.0" z="-28.9"/>
</component>
<type name="source-chopper"/>
@@ -42,7 +43,7 @@ last-modified="2018-02-09 09:00:00">
<location x="-0.070" />
<location x="-0.035" />
<location x="0.000" />
- <location x="-0.035" />
+ <location x="0.035" />
</component>
</type>
diff --git a/instrument/V20_Transm_BeamMonitor_Definition_v01.xml b/instrument/V20_Transm_BeamMonitor_Definition_v01.xml
new file mode 100644
index 0000000000000000000000000000000000000000..9a3777c977f49c2821ab272939074eff43772bf4
--- /dev/null
+++ b/instrument/V20_Transm_BeamMonitor_Definition_v01.xml
@@ -0,0 +1,54 @@
+<?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 -->
+<!-- IDF configurations can be gound here https://github.com/mantidproject/documents/blob/master/IDF-Configurations/V20_idf_configurations_v05.pptx -->
+<instrument xmlns="http://www.mantidproject.org/IDF/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.mantidproject.org/IDF/1.0 Schema/IDFSchema.xsd"
+name="IMAT" valid-from ="1900-01-31 23:59:59"
+valid-to ="2099-12-31 23:59:59"
+last-modified="2018-02-09 09:00:00">
+ <defaults>
+ <length unit="meter"/>
+ <angle unit="degree"/>
+ <reference-frame>
+ <!-- The z-axis is set parallel to and in the direction of the beam. the
+ y-axis points up and the coordinate system is right handed. -->
+ <along-beam axis="z"/>
+ <pointing-up axis="y"/>
+ <handedness val="right"/>
+ </reference-frame>
+ <default-view axis-view="z"/>
+ </defaults>
+
+ <component type="source-chopper">
+ <location x="0.0" y="0.0" z="-25.3"/>
+ </component>
+ <type name="source-chopper"/>
+
+ <component type="wfm-chopper">
+ <location x="0.0" y="0.0" z="-18.45"/>
+ </component>
+ <type name="wfm-chopper" is="Source" />
+
+ <component type="some-sample-holder">
+ <location x="0.0" y="0.0" z="0"/>
+ </component>
+ <type name="some-sample-holder" is="SamplePos" />
+
+ <component name="transmission-beam-monitor" type="monitor" idlist="monitor-id-list">
+ <location x="0.0" y="0.0" z="0.030" />
+ </component>
+
+ <type name="monitor" is="monitor">
+ <cuboid id="shape">
+ <left-front-bottom-point x="0.02" y="-0.0525" z="0.0" />
+ <left-front-top-point x="0.02" y="-0.0525" z="0.040" />
+ <left-back-bottom-point x="-0.02" y="-0.0525" z="0.0" />
+ <right-front-bottom-point x="0.02" y="0.0525" z="0.0" />
+ </cuboid>
+ </type>
+
+ <idlist idname="monitor-id-list">
+ <id val="3" />
+ </idlist>
+
+</instrument>
diff --git a/qt/CMakeLists.txt b/qt/CMakeLists.txt
index 28e79e57ca2f3bf5ee139bc00793373bd40f8634..5df1efb28936b4320e15951c35aceb7fd8e4bc42 100644
--- a/qt/CMakeLists.txt
+++ b/qt/CMakeLists.txt
@@ -3,37 +3,6 @@ find_package ( QScintillaQt4 REQUIRED )
# Utilities for defining targets
include ( QtTargetFunctions )
-# Function to create links to python packages in the source tree
-# If the EXECUTABLE option is provided then it additional build rules are
-# defined to ensure startup scripts are regenerated appropriately
-function ( add_python_package pkg_name )
- # Create a setup.py file
- set ( _setup_py ${CMAKE_CURRENT_SOURCE_DIR}/setup.py )
- set ( _egg_link_dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR} )
- set ( _egg_link ${_egg_link_dir}/${pkg_name}.egg-link )
- if ( ARGV0 EQUAL "EXECUTABLE" )
- if ( WIN32 )
- set ( _startup_script ${_egg_link_dir}/${pkg_name}-script.pyw )
- set ( _startup_exe ${_egg_link_dir}/${pkg_name}.exe )
- else ()
- set ( _startup_script )
- set ( _startup_exe ${_egg_link_dir}/${pkg_name} )
- endif ()
- endif ()
- set ( _outputs ${_egg_link} ${_startup_script} ${_startup_exe} )
- add_custom_command ( OUTPUT ${_outputs}
- COMMAND ${CMAKE_COMMAND} -E env PYTHONPATH=${_egg_link_dir}
- ${PYTHON_EXECUTABLE} ${_setup_py} develop
- --install-dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR}
- --script-dir ${CMAKE_LIBRARY_OUTPUT_DIRECTORY}/${CMAKE_CFG_INTDIR}
- WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
- DEPENDS ${_setup_py}
- )
- add_custom_target ( ${pkg_name} ALL
- DEPENDS ${_outputs}
- )
-endfunction ()
-
# Resource compiler for PyQt5
if ( ENABLE_WORKBENCH AND NOT PYRCC5_CMD )
# Newer versions of PyQt5 have a pyrcc_main python module, whereas older
diff --git a/qt/applications/workbench/setup.py b/qt/applications/workbench/setup.py.in
similarity index 76%
rename from qt/applications/workbench/setup.py
rename to qt/applications/workbench/setup.py.in
index 6e3db4ad665309e688d04d56de958f5b79b2dfc1..dedef6c41ab3a5163ac374765dd40d1cdac50b42 100644
--- a/qt/applications/workbench/setup.py
+++ b/qt/applications/workbench/setup.py.in
@@ -16,15 +16,20 @@
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
-from setuptools import setup
+from setuptools import find_packages, setup
+
+@SETUPTOOLS_BUILD_COMMANDS_DEF@
# The most basic setup possible to be able to use setup.py develop
setup(
- name="workbench",
+ name='MantidWorkbench', # probaly the wrong name if someone wants to include it
+ version='@VERSION_MAJOR@.@VERSION_MINOR@.@VERSION_PATCH@',
install_requires=['mantidqt'],
+ packages=find_packages(exclude=['*.test']),
entry_points={
'gui_scripts': [
'workbench = workbench.app.mainwindow:main'
]
},
+ @SETUPTOOLS_BUILD_COMMANDS_USE@
)
diff --git a/qt/applications/workbench/workbench/app/mainwindow.py b/qt/applications/workbench/workbench/app/mainwindow.py
index 19c6f7e14d6acdf693fa91d9c4eb084aa6d4ac3e..5bc70668d16fd7e4ced0d99dc70517f87c754cd2 100644
--- a/qt/applications/workbench/workbench/app/mainwindow.py
+++ b/qt/applications/workbench/workbench/app/mainwindow.py
@@ -21,7 +21,9 @@ from __future__ import (absolute_import, division,
print_function, unicode_literals)
import atexit
+import imp
import importlib
+import os
import sys
# -----------------------------------------------------------------------------
@@ -42,7 +44,7 @@ requirements.check_qt()
# -----------------------------------------------------------------------------
# Qt
# -----------------------------------------------------------------------------
-from qtpy.QtCore import (QEventLoop, Qt, QTimer, QCoreApplication) # noqa
+from qtpy.QtCore import (QEventLoop, Qt, QCoreApplication) # noqa
from qtpy.QtGui import (QColor, QPixmap) # noqa
from qtpy.QtWidgets import (QApplication, QDesktopWidget, QFileDialog,
QMainWindow, QSplashScreen) # noqa
@@ -90,11 +92,8 @@ QApplication.processEvents(QEventLoop.AllEvents)
# -----------------------------------------------------------------------------
# Utilities/Widgets
# -----------------------------------------------------------------------------
-from mantidqt.py3compat import qbytearray_to_str # noqa
from mantidqt.utils.qt import add_actions, create_action # noqa
from mantidqt.widgets.manageuserdirectories import ManageUserDirectories # noqa
-from workbench.config.main import CONF # noqa
-from workbench.external.mantid import prepare_mantid_env # noqa
# -----------------------------------------------------------------------------
# MainWindow
@@ -413,12 +412,19 @@ def start_workbench(app):
def main():
"""Main entry point for the application"""
- # Prepare for mantid import
- prepare_mantid_env()
+ # Mantid needs to be able to find its .properties file. It looks
+ # in the application directory by default but this is
+ # the directory of python[.exe] and not guaranteed to be where
+ # the properties files is located. MANTIDPATH overrides this.
+ # If we allow a user to override MANTIDPATH then we could end up
+ # loading the wrong properties file and plugins built against
+ # a different version of Mantid and this would likely result in
+ # segfault.
+ _, pkgpath, _ = imp.find_module('mantid')
+ os.environ['MANTIDPATH'] = os.path.dirname(pkgpath)
# todo: parse command arguments
- # general initialization
app = initialize()
# the default sys check interval leads to long lags
# when request scripts to be aborted
diff --git a/qt/applications/workbench/workbench/external/__init__.py b/qt/applications/workbench/workbench/external/__init__.py
deleted file mode 100644
index 38b6452e68f2d819b646bccff5c213e92581ea5a..0000000000000000000000000000000000000000
--- a/qt/applications/workbench/workbench/external/__init__.py
+++ /dev/null
@@ -1,16 +0,0 @@
-# This file is part of the mantid workbench.
-#
-# Copyright (C) 2017 mantidproject
-#
-# This program 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.
-#
-# This program 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/>.
diff --git a/qt/applications/workbench/workbench/external/mantid.py b/qt/applications/workbench/workbench/external/mantid.py
deleted file mode 100644
index 39dd34eedca38d121b8d0f8b150cf1bf53e147ee..0000000000000000000000000000000000000000
--- a/qt/applications/workbench/workbench/external/mantid.py
+++ /dev/null
@@ -1,33 +0,0 @@
-# This file is part of the mantid workbench.
-#
-# Copyright (C) 2017 mantidproject
-#
-# This program 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.
-#
-# This program 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/>.
-"""Defines utility functionality for interacting with the mantid framework
-"""
-from __future__ import unicode_literals
-
-from imp import find_module
-import os
-
-
-def prepare_mantid_env():
- # Mantid needs to be able to find its .properties file. It looks
- # in the application directory but by default but this is python.exe.
- # MANTIDPATH can be used to override this. If it is not set
- # we currently assume the Mantid.properties is in the same location as the
- # mantid module itself
- if 'MANTIDPATH' not in os.environ:
- _, pkgpath, _ = find_module('mantid')
- os.environ['MANTIDPATH'] = os.path.dirname(pkgpath)
diff --git a/qt/applications/workbench/workbench/plugins/test/test_jupyterconsole.py b/qt/applications/workbench/workbench/plugins/test/test_jupyterconsole.py
index f1ae661e90d3e4e8d804651b025fdc944edb1f9e..ed88ea6334583c8f3310dd4e8ab1715144406709 100644
--- a/qt/applications/workbench/workbench/plugins/test/test_jupyterconsole.py
+++ b/qt/applications/workbench/workbench/plugins/test/test_jupyterconsole.py
@@ -20,7 +20,7 @@ from __future__ import (absolute_import)
import unittest
# third-party library imports
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from qtpy.QtWidgets import QMainWindow
# local package imports
diff --git a/qt/applications/workbench/workbench/widgets/plotselector/test/test_plotselector_view.py b/qt/applications/workbench/workbench/widgets/plotselector/test/test_plotselector_view.py
index fba1be352f09d0e0f51f8fdf0c53dd3f5330b992..dcb7fa8b9bc75df912e9eb9056c43934c0486a74 100644
--- a/qt/applications/workbench/workbench/widgets/plotselector/test/test_plotselector_view.py
+++ b/qt/applications/workbench/workbench/widgets/plotselector/test/test_plotselector_view.py
@@ -21,7 +21,7 @@ from qtpy.QtTest import QTest
import qtawesome as qta
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from workbench.widgets.plotselector.presenter import PlotSelectorPresenter
from workbench.widgets.plotselector.view import EXPORT_TYPES, PlotSelectorView, Column
diff --git a/qt/paraview_ext/VatesAlgorithms/CMakeLists.txt b/qt/paraview_ext/VatesAlgorithms/CMakeLists.txt
index 5fc54adb2eeddf14972e2714d1fd9130b6818eda..8d4a794b3cb33c5f4745f254454c4de8237d6e4e 100644
--- a/qt/paraview_ext/VatesAlgorithms/CMakeLists.txt
+++ b/qt/paraview_ext/VatesAlgorithms/CMakeLists.txt
@@ -50,7 +50,7 @@ ${POCO_LIBRARIES}
if (OSX_VERSION VERSION_GREATER 10.8)
set_target_properties(VatesAlgorithms PROPERTIES INSTALL_RPATH "@loader_path/../Contents/MacOS;@loader_path/../Libraries")
elseif ( ${CMAKE_SYSTEM_NAME} STREQUAL "Linux" )
- set_target_properties(VatesAlgorithms PROPERTIES INSTALL_RPATH "\$ORIGIN/../${LIB_DIR}")
+ set_target_properties(VatesAlgorithms PROPERTIES INSTALL_RPATH "\$ORIGIN/../${LIB_DIR};\$ORIGIN/../${LIB_DIR}/paraview-${ParaView_VERSION_MAJOR}.${ParaView_VERSION_MINOR}")
endif ()
# Create test file projects
diff --git a/qt/python/CMakeLists.txt b/qt/python/CMakeLists.txt
index 508b70e03026ca2f7cf23c5f7150a0e5a3366cea..e92c9fd5375c586af71ca8c5ad6c13d0973518db 100644
--- a/qt/python/CMakeLists.txt
+++ b/qt/python/CMakeLists.txt
@@ -1,6 +1,7 @@
# This file manages building/installation of the mantidqt and mantidqtpython
# Python wrappers.
#
+include ( PythonPackageTargetFunctions )
# Legacy wrappers for MantidPlot
add_subdirectory ( mantidqtpython )
@@ -20,7 +21,6 @@ if ( ENABLE_WORKBENCH )
${CMAKE_CURRENT_SOURCE_DIR}/mantidqt/utils/qt/plugins.py
)
- # Create egg link to binary output directory for mantidqt
add_python_package ( mantidqt )
# Configure resources data in place for ease of development. The output
diff --git a/qt/python/mantidqt/CMakeLists.txt b/qt/python/mantidqt/CMakeLists.txt
index 1ec7b21fc9d2478fea791db55318cfe486266792..6ca91e85bdc9c66d88074b58a1754ab417e5c70b 100644
--- a/qt/python/mantidqt/CMakeLists.txt
+++ b/qt/python/mantidqt/CMakeLists.txt
@@ -2,7 +2,6 @@ include ( SipQtTargetFunctions )
set ( COMMON_INC_DIR ../../../widgets/common/inc )
set ( HEADER_DEPENDS
- ${COMMON_INC_DIR}/MantidQtWidgets/Common/AlgorithmDialog.h
${COMMON_INC_DIR}/MantidQtWidgets/Common/AlgorithmDialog.h
${COMMON_INC_DIR}/MantidQtWidgets/Common/Message.h
${COMMON_INC_DIR}/MantidQtWidgets/Common/MessageDisplay.h
@@ -18,7 +17,8 @@ list ( APPEND common_link_libs
${PYTHON_LIBRARIES}
)
-# Wrapper module linked against Qt4
+# Wrapper module linked against Qt4 - not currently installed until required for backward compatability
+# with MantidPlot
mtd_add_sip_module (
MODULE_NAME _commonqt4
TARGET_NAME mantidqt_commonqt4
@@ -59,5 +59,9 @@ mtd_add_sip_module (
${PYTHON_LIBRARIES}
${Boost_LIBRARIES}
API
+ INSTALL_DIR
+ ${LIB_DIR}/mantidqt
+ LINUX_INSTALL_RPATH
+ "\$ORIGIN/.."
FOLDER Qt5
)
diff --git a/qt/python/mantidqt/dialogs/test/test_algorithm_dialog.py b/qt/python/mantidqt/dialogs/test/test_algorithm_dialog.py
index d5ac28bfd304a7da8221cd7fd6f590e8570d5319..3d4595a4e13d49b8e43db64031d48543e1c498ff 100644
--- a/qt/python/mantidqt/dialogs/test/test_algorithm_dialog.py
+++ b/qt/python/mantidqt/dialogs/test/test_algorithm_dialog.py
@@ -20,7 +20,7 @@ from qtpy.QtWidgets import QWidget, QLineEdit
from mantid.api import AlgorithmManager, AlgorithmFactory, PythonAlgorithm
from mantid.kernel import Direction, FloatArrayProperty
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.dialogs.algorithmdialog import AlgorithmDialog
from mantidqt.dialogs.genericdialog import GenericDialog
from mantidqt.interfacemanager import InterfaceManager
diff --git a/qt/python/mantidqt/dialogs/test/test_spectraselectiondialog.py b/qt/python/mantidqt/dialogs/test/test_spectraselectiondialog.py
index 135614b46a41c1f39fb20cbac9d6062c3098a72d..fe899f3841ba35e7edbc38524b1b3a592c91734d 100644
--- a/qt/python/mantidqt/dialogs/test/test_spectraselectiondialog.py
+++ b/qt/python/mantidqt/dialogs/test/test_spectraselectiondialog.py
@@ -24,7 +24,7 @@ from mantid.simpleapi import CreateSampleWorkspace, CropWorkspace
from qtpy.QtWidgets import QDialogButtonBox
# local imports
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.dialogs.spectraselectordialog import parse_selection_str, SpectraSelectionDialog
diff --git a/qt/python/mantidqt/utils/qt/testing/__init__.py b/qt/python/mantidqt/utils/qt/test/__init__.py
similarity index 100%
rename from qt/python/mantidqt/utils/qt/testing/__init__.py
rename to qt/python/mantidqt/utils/qt/test/__init__.py
diff --git a/qt/python/mantidqt/utils/qt/testing/modal_tester.py b/qt/python/mantidqt/utils/qt/test/modal_tester.py
similarity index 100%
rename from qt/python/mantidqt/utils/qt/testing/modal_tester.py
rename to qt/python/mantidqt/utils/qt/test/modal_tester.py
diff --git a/qt/python/mantidqt/utils/qt/testing/run_test_app.py b/qt/python/mantidqt/utils/qt/test/run_test_app.py
similarity index 100%
rename from qt/python/mantidqt/utils/qt/testing/run_test_app.py
rename to qt/python/mantidqt/utils/qt/test/run_test_app.py
diff --git a/qt/python/mantidqt/utils/test/test_modal_tester.py b/qt/python/mantidqt/utils/test/test_modal_tester.py
index 66ec5ff868b2092b947658ad327bd18462163dd3..9d68103564fd269b16e9edc55b824ea5ebd4fafc 100644
--- a/qt/python/mantidqt/utils/test/test_modal_tester.py
+++ b/qt/python/mantidqt/utils/test/test_modal_tester.py
@@ -22,7 +22,7 @@ import unittest
from qtpy.QtWidgets import QInputDialog
-from mantidqt.utils.qt.testing import requires_qapp, ModalTester
+from mantidqt.utils.qt.test import requires_qapp, ModalTester
@requires_qapp
diff --git a/qt/python/mantidqt/utils/test/test_qt_utils.py b/qt/python/mantidqt/utils/test/test_qt_utils.py
index 6e9497eaf7ed1d56aa70560cfefb4ec20a89c5e8..d1d88a021bd98dafb4538b498fb45c6b94b1f1d0 100644
--- a/qt/python/mantidqt/utils/test/test_qt_utils.py
+++ b/qt/python/mantidqt/utils/test/test_qt_utils.py
@@ -27,7 +27,7 @@ try:
except ImportError:
NEW_STYLE_SIGNAL = True
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.utils.qt import add_actions, create_action
diff --git a/qt/python/mantidqt/utils/test/test_writetosignal.py b/qt/python/mantidqt/utils/test/test_writetosignal.py
index e65614158ae8ac1bb7058806cf4b7b19ca39d198..5742e465dd9acba02a5aee5d224c9a786dbcb3e9 100644
--- a/qt/python/mantidqt/utils/test/test_writetosignal.py
+++ b/qt/python/mantidqt/utils/test/test_writetosignal.py
@@ -23,7 +23,7 @@ import unittest
from qtpy.QtCore import QCoreApplication, QObject
# local imports
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.utils.writetosignal import WriteToSignal
diff --git a/qt/python/mantidqt/widgets/algorithmselector/test/test_algorithmselector.py b/qt/python/mantidqt/widgets/algorithmselector/test/test_algorithmselector.py
index ae0da9bbb0a345b6e979513582c72ddab9d321f8..c346fd1266bd52a75c11d2f2206a298cd5ad8089 100644
--- a/qt/python/mantidqt/widgets/algorithmselector/test/test_algorithmselector.py
+++ b/qt/python/mantidqt/widgets/algorithmselector/test/test_algorithmselector.py
@@ -23,7 +23,7 @@ import unittest
from qtpy.QtCore import Qt
from qtpy.QtTest import QTest
-from mantidqt.utils.qt.testing import requires_qapp, select_item_in_combo_box, select_item_in_tree
+from mantidqt.utils.qt.test import requires_qapp, select_item_in_combo_box, select_item_in_tree
from mantidqt.widgets.algorithmselector.model import AlgorithmSelectorModel
from mantidqt.widgets.algorithmselector.widget import AlgorithmSelectorWidget
diff --git a/qt/python/mantidqt/widgets/codeeditor/test/test_codeeditor.py b/qt/python/mantidqt/widgets/codeeditor/test/test_codeeditor.py
index 933547f4e0c0de6cef74fd06ff31cc0c647a8e18..63887f2d8a8d39c8a1d810ae058b4fbfe5eee833 100644
--- a/qt/python/mantidqt/widgets/codeeditor/test/test_codeeditor.py
+++ b/qt/python/mantidqt/widgets/codeeditor/test/test_codeeditor.py
@@ -21,7 +21,7 @@ import unittest
# local imports
from mantidqt.widgets.codeeditor.editor import CodeEditor
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
TEST_LANG = "Python"
diff --git a/qt/python/mantidqt/widgets/codeeditor/test/test_execution.py b/qt/python/mantidqt/widgets/codeeditor/test/test_execution.py
index b0d6a5b7865644ca2882d7d21827ba53437ce2ab..e10529105be6e44c524b5b603224007499ea462c 100644
--- a/qt/python/mantidqt/widgets/codeeditor/test/test_execution.py
+++ b/qt/python/mantidqt/widgets/codeeditor/test/test_execution.py
@@ -23,7 +23,7 @@ import unittest
from qtpy.QtCore import QCoreApplication, QObject
# local imports
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.widgets.codeeditor.execution import PythonCodeExecution
diff --git a/qt/python/mantidqt/widgets/codeeditor/test/test_interpreter.py b/qt/python/mantidqt/widgets/codeeditor/test/test_interpreter.py
index 18cfbb0d85db0bec0e740485ff0572b9750ba0c6..43956c43a5659fb2963b15b8010c2715a1329565 100644
--- a/qt/python/mantidqt/widgets/codeeditor/test/test_interpreter.py
+++ b/qt/python/mantidqt/widgets/codeeditor/test/test_interpreter.py
@@ -24,7 +24,7 @@ import six
# local imports
from mantidqt.widgets.codeeditor.interpreter import PythonFileInterpreter
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
if six.PY2:
import mock
diff --git a/qt/python/mantidqt/widgets/codeeditor/test/test_multifileinterpreter.py b/qt/python/mantidqt/widgets/codeeditor/test/test_multifileinterpreter.py
index 2122b51f23169e5cdd40d11ce8fe7bc9426ba3e6..c152e31c23da4dab3d83092c5f1e8451f2b97c50 100644
--- a/qt/python/mantidqt/widgets/codeeditor/test/test_multifileinterpreter.py
+++ b/qt/python/mantidqt/widgets/codeeditor/test/test_multifileinterpreter.py
@@ -22,7 +22,7 @@ import unittest
# third-party library imports
# local imports
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
from mantidqt.widgets.codeeditor.multifileinterpreter import MultiPythonFileInterpreter
diff --git a/qt/python/mantidqt/widgets/test/test_jupyterconsole.py b/qt/python/mantidqt/widgets/test/test_jupyterconsole.py
index b102633b5c92652eb504ccb9f5c5a09dce04a367..c13e8e3c877e1843b54e57fae112bb60eb4b09cf 100644
--- a/qt/python/mantidqt/widgets/test/test_jupyterconsole.py
+++ b/qt/python/mantidqt/widgets/test/test_jupyterconsole.py
@@ -26,7 +26,7 @@ from qtpy import QT_VERSION
# local package imports
from mantidqt.widgets.jupyterconsole import InProcessJupyterConsole
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
PRE_IPY5_PY3_QT5 = (sys.version_info.major == 3 and IPython.version_info[0] < 5 and int(QT_VERSION[0]) == 5)
diff --git a/qt/python/mantidqt/widgets/test/test_messagedisplay.py b/qt/python/mantidqt/widgets/test/test_messagedisplay.py
index 01a2fc1287d9ef0367e118ce9a69ebe7ca346757..665d73c88c00d3c3026ec0cfc86196af4b5e82f6 100644
--- a/qt/python/mantidqt/widgets/test/test_messagedisplay.py
+++ b/qt/python/mantidqt/widgets/test/test_messagedisplay.py
@@ -20,7 +20,7 @@ from __future__ import (absolute_import, division, print_function,
import unittest
from mantidqt.widgets.messagedisplay import MessageDisplay
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
@requires_qapp
diff --git a/qt/python/mantidqt/widgets/workspacewidget/test/test_workspacetreewidget.py b/qt/python/mantidqt/widgets/workspacewidget/test/test_workspacetreewidget.py
index c58f0c263fc8320d25b9cd3ba5303a9e8f2b3158..bcd52c80976fb17b152005878e17cc4fbbf190c1 100644
--- a/qt/python/mantidqt/widgets/workspacewidget/test/test_workspacetreewidget.py
+++ b/qt/python/mantidqt/widgets/workspacewidget/test/test_workspacetreewidget.py
@@ -19,7 +19,7 @@ from __future__ import absolute_import, print_function
import unittest
from mantidqt.widgets.workspacewidget.workspacetreewidget import WorkspaceTreeWidget
-from mantidqt.utils.qt.testing import requires_qapp
+from mantidqt.utils.qt.test import requires_qapp
@requires_qapp
diff --git a/qt/python/mantidqt/widgets/workspacewidget/workspacetreewidget.py b/qt/python/mantidqt/widgets/workspacewidget/workspacetreewidget.py
index f8fee5faa670f553f8595f478f3c8bcfede1c4c5..fbb7909906199c03ac31c44a3635f487a6f71d2f 100644
--- a/qt/python/mantidqt/widgets/workspacewidget/workspacetreewidget.py
+++ b/qt/python/mantidqt/widgets/workspacewidget/workspacetreewidget.py
@@ -24,5 +24,5 @@ from __future__ import (absolute_import, unicode_literals)
from mantidqt.utils.qt import import_qt
-WorkspaceTreeWidget = import_qt('.._common', 'mantidqt.widgets.workspacewidget',
+WorkspaceTreeWidget = import_qt('..._common', 'mantidqt.widgets.workspacewidget',
'WorkspaceTreeWidgetSimple')
diff --git a/qt/python/setup.py b/qt/python/setup.py.in
similarity index 70%
rename from qt/python/setup.py
rename to qt/python/setup.py.in
index bdfe7f9bd16f6f1e16d2ca037f09879741805526..12ed9d606069c5e990b1b74048429d6fd1ddb27d 100644
--- a/qt/python/setup.py
+++ b/qt/python/setup.py.in
@@ -16,9 +16,15 @@
# You should have received a copy of the GNU General Public License
# along with this program. If not, see <http://www.gnu.org/licenses/>.
-from setuptools import setup
+from setuptools import find_packages, setup
+
+@SETUPTOOLS_BUILD_COMMANDS_DEF@
# The most basic setup possible to be able to use setup.py develop
setup(
- name="mantidqt",
+ name='mantidqt', # must match what is required by workbench setup.py
+ version='@VERSION_MAJOR@.@VERSION_MINOR@.@VERSION_PATCH@',
+ packages=find_packages(exclude=['*.test']),
+ package_data={'mantidqt': ['dialogs/*.ui']},
+ @SETUPTOOLS_BUILD_COMMANDS_USE@
)
diff --git a/qt/widgets/common/CMakeLists.txt b/qt/widgets/common/CMakeLists.txt
index 58323bb8d146747ce0b1eea469939e39b426d508..2783cc5b2400bd7457126257969078b2630873fe 100644
--- a/qt/widgets/common/CMakeLists.txt
+++ b/qt/widgets/common/CMakeLists.txt
@@ -531,6 +531,8 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsCommon
Qt5::PrintSupport
${_webwidgets_tgt}
Qt5::Qscintilla
+ INSTALL_DIR
+ ${LIB_DIR}
OSX_INSTALL_RPATH
@loader_path/../MacOS
@loader_path/../Libraries
diff --git a/qt/widgets/common/src/MuonFitPropertyBrowser.cpp b/qt/widgets/common/src/MuonFitPropertyBrowser.cpp
index 0f583c6c95b0ba88d3cea7047475cd80335176e9..243dc4aadce2c2c5c95eb00867e97a8cc128cd1f 100644
--- a/qt/widgets/common/src/MuonFitPropertyBrowser.cpp
+++ b/qt/widgets/common/src/MuonFitPropertyBrowser.cpp
@@ -872,7 +872,6 @@ void MuonFitPropertyBrowser::showEvent(QShowEvent *e) {
* @param ws :: The workspace
*/
bool MuonFitPropertyBrowser::isWorkspaceValid(Workspace_sptr ws) const {
- auto fsad = ws->getName();
QString workspaceName(QString::fromStdString(ws->getName()));
if ((workspaceName.contains("_Raw")) ||
@@ -944,6 +943,11 @@ void MuonFitPropertyBrowser::finishHandleTF(const IAlgorithm *alg) {
std::vector<std::string> wsList =
alg->getProperty("UnNormalizedWorkspaceList");
emit fittingDone(QString::fromStdString(wsList[0]));
+ double quality = alg->getProperty("ChiSquared");
+ // std::string costFunction =
+
+ emit changeWindowTitle(QString("Fit Function (") + "Chi-sq " + " = " +
+ QString::number(quality) + ", " + status + ")");
if (nWorkspaces == 1) {
emit algorithmFinished(QString::fromStdString(wsList[0] + "_workspace"));
}
@@ -1170,7 +1174,7 @@ void MuonFitPropertyBrowser::ConvertFitFunctionForMuonTFAsymmetry(
boost::dynamic_pointer_cast<IFunction>(m_compositeFunction);
QStringList globals;
- if (enabled && m_isMultiFittingMode) {
+ if (m_isMultiFittingMode) {
// manually set the function values
old = m_functionBrowser->getGlobalFunction();
globals = m_functionBrowser->getGlobalParameters();
diff --git a/qt/widgets/factory/CMakeLists.txt b/qt/widgets/factory/CMakeLists.txt
index 1f6dd12c4dd5f92a61183efd198fe9f8f009c656..be29eaa80bbf78bafb8fd38dcf5315a5bfe24b1b 100644
--- a/qt/widgets/factory/CMakeLists.txt
+++ b/qt/widgets/factory/CMakeLists.txt
@@ -6,11 +6,11 @@ set ( INC_FILES
inc/MantidQtWidgets/Factory/WidgetFactory.h
)
-set ( MOC_FILES
+set ( MOC_FILES
inc/MantidQtWidgets/Factory/WidgetFactory.h
)
-set ( UI_FILES
+set ( UI_FILES
)
set ( TEST_FILES
@@ -37,7 +37,8 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsFactory
MantidQtWidgetsCommon
MantidQtWidgetsLegacyQwt
MantidQtWidgetsSliceViewer
+ INSTALL_DIR
+ ${LIB_DIR}
LINUX_INSTALL_RPATH
"\$ORIGIN/../${LIB_DIR}"
)
-
diff --git a/qt/widgets/instrumentview/CMakeLists.txt b/qt/widgets/instrumentview/CMakeLists.txt
index a0573d09f7853c4e3fac66650aecb7591d17e045..e63d30c9986470a3c20b27e65682038b098c6534 100644
--- a/qt/widgets/instrumentview/CMakeLists.txt
+++ b/qt/widgets/instrumentview/CMakeLists.txt
@@ -135,10 +135,11 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsInstrumentView
MTD_QT_LINK_LIBS
MantidQtWidgetsCommon
MantidQtWidgetsLegacyQwt
+ INSTALL_DIR
+ ${LIB_DIR}
+ OSX_INSTALL_RPATH
+ @loader_path/../MacOS
+ @loader_path/../Libraries
+ LINUX_INSTALL_RPATH
+ "\$ORIGIN/../${LIB_DIR}"
)
-
-if (OSX_VERSION VERSION_GREATER 10.8)
- set_target_properties(MantidQtWidgetsInstrumentViewQt4 PROPERTIES INSTALL_RPATH "@loader_path/../MacOS;@loader_path/../Libraries")
-elseif ( ${CMAKE_SYSTEM_NAME} STREQUAL "Linux" )
- set_target_properties(MantidQtWidgetsInstrumentViewQt4 PROPERTIES INSTALL_RPATH "\$ORIGIN/../${LIB_DIR}")
-endif ()
diff --git a/qt/widgets/legacyqwt/CMakeLists.txt b/qt/widgets/legacyqwt/CMakeLists.txt
index 004a0271725b9273dc9f2c10eb9ff12b3d7d49fa..d2014997a426d7489ccd0b6ba24417b41fb93768 100644
--- a/qt/widgets/legacyqwt/CMakeLists.txt
+++ b/qt/widgets/legacyqwt/CMakeLists.txt
@@ -77,6 +77,8 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsLegacyQwt
Qwt5
MTD_QT_LINK_LIBS
MantidQtWidgetsCommon
+ INSTALL_DIR
+ ${LIB_DIR}
OSX_INSTALL_RPATH
@loader_path/../MacOS
LINUX_INSTALL_RPATH
diff --git a/qt/widgets/refdetectorview/CMakeLists.txt b/qt/widgets/refdetectorview/CMakeLists.txt
index e0f806beb037465e0332b81c78721d8cc9d769e8..2d651511e4ff97ebe1b796c514aad3f57e99f6dc 100644
--- a/qt/widgets/refdetectorview/CMakeLists.txt
+++ b/qt/widgets/refdetectorview/CMakeLists.txt
@@ -50,14 +50,14 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsRefDetectorView
Qwt5
MTD_QT_LINK_LIBS
MantidQtWidgetsSpectrumViewer
+ INSTALL_DIR
+ ${LIB_DIR}
+ OSX_INSTALL_RPATH
+ @loader_path/../MacOS
+ LINUX_INSTALL_RPATH
+ "\$ORIGIN/../${LIB_DIR}"
)
-if (OSX_VERSION VERSION_GREATER 10.8)
- set_target_properties( MantidQtWidgetsRefDetectorViewQt4 PROPERTIES INSTALL_RPATH "@loader_path/../MacOS")
-elseif ( ${CMAKE_SYSTEM_NAME} STREQUAL "Linux" )
- set_target_properties( MantidQtWidgetsRefDetectorViewQt4 PROPERTIES INSTALL_RPATH "\$ORIGIN/../${LIB_DIR}")
-endif ()
-
###########################################################################
# DEMO/GUI TESTING APPLICATIONS
###########################################################################
diff --git a/qt/widgets/sliceviewer/CMakeLists.txt b/qt/widgets/sliceviewer/CMakeLists.txt
index 3473c45eddebfbe39d90627bd6f1b78a7ed6fd7f..97fe4355fa4b8b60918c1bd932e04dbacc89063e 100644
--- a/qt/widgets/sliceviewer/CMakeLists.txt
+++ b/qt/widgets/sliceviewer/CMakeLists.txt
@@ -138,6 +138,8 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsSliceViewer
MTD_QT_LINK_LIBS
MantidQtWidgetsCommon
MantidQtWidgetsLegacyQwt
+ INSTALL_DIR
+ ${LIB_DIR}
OSX_INSTALL_RPATH
loader_path/../MacOS
LINUX_INSTALL_RPATH
diff --git a/qt/widgets/spectrumviewer/CMakeLists.txt b/qt/widgets/spectrumviewer/CMakeLists.txt
index 233088f1c7a150dfbf97d02d72335167420906f2..29f1e5638fa6335f628f8b73c36376285d81bd93 100644
--- a/qt/widgets/spectrumviewer/CMakeLists.txt
+++ b/qt/widgets/spectrumviewer/CMakeLists.txt
@@ -74,6 +74,8 @@ mtd_add_qt_library (TARGET_NAME MantidQtWidgetsSpectrumViewer
MTD_QT_LINK_LIBS
MantidQtWidgetsCommon
MantidQtWidgetsLegacyQwt
+ INSTALL_DIR
+ ${LIB_DIR}
)
if (OSX_VERSION VERSION_GREATER 10.8)
diff --git a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
index ae6db76614fd6b86141e3848441d29d4273c90e8..4c18c8f528206ba1dca0877b8230e56bab29ef6c 100644
--- a/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
+++ b/scripts/Diffraction/isis_powder/gem_routines/gem_algs.py
@@ -3,8 +3,7 @@ from __future__ import (absolute_import, division, print_function)
import mantid.simpleapi as mantid
from isis_powder.routines import absorb_corrections, common
-from isis_powder.routines.run_details import create_run_details_object, \
- RunDetailsWrappedCommonFuncs, CustomFuncForRunDetails
+from isis_powder.routines.run_details import create_run_details_object, get_cal_mapping_dict
from isis_powder.gem_routines import gem_advanced_config
@@ -20,32 +19,31 @@ def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering, is_vana
return ws_to_correct
-def gem_get_chopper_config(forwarded_value, inst_settings):
- # Forwarded value should be a cal mapping
- cal_mapping = forwarded_value
- return common.cal_map_dictionary_key_helper(cal_mapping, inst_settings.mode)
-
-
def get_run_details(run_number_string, inst_settings, is_vanadium_run):
- cal_mapping_callable = CustomFuncForRunDetails().add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.get_cal_mapping_dict, run_number_string=run_number_string,
- inst_settings=inst_settings
- ).add_to_func_chain(user_function=gem_get_chopper_config, inst_settings=inst_settings)
-
# Get empty and vanadium
- err_message = "this must be under the relevant Rietveld or PDF mode."
- empty_run_callable = cal_mapping_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="empty_run_numbers",
- append_to_error_message=err_message)
+ mode_run_numbers = _get_current_mode_dictionary(run_number_string, inst_settings)
+
+ empty_runs = _get_run_numbers_for_key(current_mode_run_numbers=mode_run_numbers, key="empty_run_numbers")
+ vanadium_runs = _get_run_numbers_for_key(current_mode_run_numbers=mode_run_numbers, key="vanadium_run_numbers")
- vanadium_run_callable = cal_mapping_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="vanadium_run_numbers",
- append_to_error_message=err_message)
+ grouping_file_name = inst_settings.grouping_file_name
return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
- is_vanadium_run=is_vanadium_run, empty_run_call=empty_run_callable,
- vanadium_run_call=vanadium_run_callable)
+ is_vanadium_run=is_vanadium_run, empty_run_number=empty_runs,
+ grouping_file_name=grouping_file_name, vanadium_string=vanadium_runs)
+
+
+def _get_run_numbers_for_key(current_mode_run_numbers, key):
+ err_message = "this must be under the relevant Rietveld or PDF mode."
+ return common.cal_map_dictionary_key_helper(current_mode_run_numbers, key=key,
+ append_to_error_message=err_message)
+
+
+def _get_current_mode_dictionary(run_number_string, inst_settings):
+ mapping_dict = get_cal_mapping_dict(run_number_string, inst_settings.cal_mapping_path)
+ # Get the current mode "Rietveld" or "PDF" run numbers
+ return common.cal_map_dictionary_key_helper(mapping_dict, inst_settings.mode)
def save_maud(d_spacing_group, output_path):
diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/Examples/Calibration/16_5/hrpd_new_072_01_corr.cal b/scripts/Diffraction/isis_powder/hrpd_routines/Examples/Calibration/16_5/hrpd_new_072_01_corr.cal
new file mode 100644
index 0000000000000000000000000000000000000000..6fa7738b58539b2a7f8fc98ef6504e0341d2ec45
--- /dev/null
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/Examples/Calibration/16_5/hrpd_new_072_01_corr.cal
@@ -0,0 +1,2780 @@
+# Ariel detector file, written Sat Nov 24 16:52:56 2007
+# Format: number UDET offset select group
+ 0 1100 0.0000000 0 1
+ 1 1101 0.0000000 0 1
+ 2 1102 0.0000000 0 1
+ 3 1103 0.0000000 0 1
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diff --git a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py
index d1fcda6b683030ab32bd421aae5a2b48f74911f8..923004c53a1fe1d34a4d048e40bec7287210ba0e 100644
--- a/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py
+++ b/scripts/Diffraction/isis_powder/hrpd_routines/hrpd_algs.py
@@ -4,8 +4,7 @@ import mantid.simpleapi as mantid
from isis_powder.hrpd_routines import hrpd_advanced_config
from isis_powder.routines import common, absorb_corrections, sample_details, common_enums
-from isis_powder.routines.run_details import create_run_details_object, \
- RunDetailsWrappedCommonFuncs, CustomFuncForRunDetails
+from isis_powder.routines.run_details import create_run_details_object, get_cal_mapping_dict
def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering):
@@ -71,38 +70,25 @@ def calculate_slab_absorb_corrections(ws_to_correct, sample_details_obj):
def get_run_details(run_number_string, inst_settings, is_vanadium):
- cal_mapping_callable = CustomFuncForRunDetails().add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.get_cal_mapping_dict,
- run_number_string=run_number_string, inst_settings=inst_settings)
+ # Drill down to relevant section
+ run_mapping_dict = get_cal_mapping_dict(run_number_string, inst_settings.cal_mapping_path)
+ inst_mode_dict = common.cal_map_dictionary_key_helper(run_mapping_dict, key=inst_settings.mode)
+ tof_window = common.cal_map_dictionary_key_helper(dictionary=inst_mode_dict, key=inst_settings.tof_window)
- mapping_dict_callable = cal_mapping_callable.add_to_func_chain(user_function=hrpd_get_inst_mode,
- inst_settings=inst_settings)
+ empty_run = _get_run_numbers_for_key(tof_window, key="empty_run_numbers")
+ vanadium_run = _get_run_numbers_for_key(tof_window, key="vanadium_run_numbers")
- tof_dict_callable = mapping_dict_callable.add_to_func_chain(user_function=hrpd_get_tof_window,
- inst_settings=inst_settings)
-
- err_message = "this must be under 'coupled' or 'decoupled' and the time of flight window eg 10-110."
- empty_run_callable = tof_dict_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="empty_run_numbers",
- append_to_error_message=err_message)
-
- vanadium_run_callable = tof_dict_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="vanadium_run_numbers",
- append_to_error_message=err_message)
+ grouping_file_name = inst_settings.grouping_file_name
return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
- is_vanadium_run=is_vanadium, empty_run_call=empty_run_callable,
- vanadium_run_call=vanadium_run_callable)
+ is_vanadium_run=is_vanadium, empty_run_number=empty_run,
+ vanadium_string=vanadium_run, grouping_file_name=grouping_file_name)
-def hrpd_get_inst_mode(forwarded_value, inst_settings):
- cal_mapping = forwarded_value
- return common.cal_map_dictionary_key_helper(dictionary=cal_mapping, key=inst_settings.mode)
-
-
-def hrpd_get_tof_window(forwarded_value, inst_settings):
- cal_mapping = forwarded_value
- return common.cal_map_dictionary_key_helper(dictionary=cal_mapping, key=inst_settings.tof_window)
+def _get_run_numbers_for_key(tof_dict, key):
+ err_message = "this must be under 'coupled' or 'decoupled' and the time of flight window eg 10-110."
+ return common.cal_map_dictionary_key_helper(tof_dict, key=key,
+ append_to_error_message=err_message)
def process_vanadium_for_focusing(bank_spectra, spline_number):
diff --git a/scripts/Diffraction/isis_powder/pearl.py b/scripts/Diffraction/isis_powder/pearl.py
index 4d44606046d5eaecee7e81a2fbe4c67bc98125c6..ef5d8fc5fc4901c2431f94227741771b3e188916 100644
--- a/scripts/Diffraction/isis_powder/pearl.py
+++ b/scripts/Diffraction/isis_powder/pearl.py
@@ -140,8 +140,10 @@ class Pearl(AbstractInst):
pearl_output.generate_and_save_focus_output(self, processed_spectra=processed_spectra,
run_details=run_details, focus_mode=output_mode,
attenuation_filepath=attenuation_path)
- group_name = "PEARL" + str(run_details.output_run_string)
- group_name += '_' + self._inst_settings.tt_mode + "-Results-D-Grp"
+
+ group_name = "PEARL{0!s}_{1}{2}-Results-D-Grp"
+ mode = "_long" if self._inst_settings.long_mode else ""
+ group_name = group_name.format(run_details.output_run_string, self._inst_settings.tt_mode, mode)
grouped_d_spacing = mantid.GroupWorkspaces(InputWorkspaces=output_spectra, OutputWorkspace=group_name)
return grouped_d_spacing, None
@@ -173,5 +175,4 @@ class Pearl(AbstractInst):
absorb_ws=absorb_corrections)
def _switch_long_mode_inst_settings(self, long_mode_on):
- self._inst_settings.update_attributes(advanced_config=pearl_advanced_config.get_long_mode_dict(long_mode_on),
- suppress_warnings=True)
+ self._inst_settings.update_attributes(advanced_config=pearl_advanced_config.get_long_mode_dict(long_mode_on))
diff --git a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
index 125a3fc6f0a3218b3ce94b54d47231aa4953a594..eb7b48d542606a3b932d98087ad5347f57327e4a 100644
--- a/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
+++ b/scripts/Diffraction/isis_powder/pearl_routines/pearl_algs.py
@@ -3,7 +3,7 @@ from __future__ import (absolute_import, division, print_function)
import mantid.simpleapi as mantid
import isis_powder.routines.common as common
-from isis_powder.routines.run_details import create_run_details_object, CustomFuncForRunDetails
+from isis_powder.routines.run_details import create_run_details_object, get_cal_mapping_dict
def attenuate_workspace(attenuation_file_path, ws_to_correct):
@@ -64,21 +64,6 @@ def generate_vanadium_absorb_corrections(van_ws, output_filename):
return absorb_ws
-def get_run_details(run_number_string, inst_settings, is_vanadium_run):
- spline_identifier = [inst_settings.tt_mode]
- if inst_settings.long_mode:
- spline_identifier.append("_long")
-
- grouping_file_name_callable = CustomFuncForRunDetails().add_to_func_chain(
- user_function=_pearl_get_tt_grouping_file_name,
- inst_settings=inst_settings)
-
- return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
- is_vanadium_run=is_vanadium_run, splined_name_list=spline_identifier,
- grouping_file_name_call=grouping_file_name_callable,
- van_abs_file_name=inst_settings.van_absorb_file)
-
-
def _pearl_get_tt_grouping_file_name(inst_settings):
tt_grouping_key = str(inst_settings.tt_mode).lower() + '_grouping'
try:
@@ -88,6 +73,29 @@ def _pearl_get_tt_grouping_file_name(inst_settings):
return grouping_file_name
+def _get_run_numbers_for_key(current_mode_run_numbers, key):
+ err_message = "this must be under the relevant Rietveld or PDF mode."
+ return common.cal_map_dictionary_key_helper(current_mode_run_numbers, key=key,
+ append_to_error_message=err_message)
+
+
+def get_run_details(run_number_string, inst_settings, is_vanadium_run):
+ all_run_numbers = get_cal_mapping_dict(run_number_string, inst_settings.cal_mapping_path)
+ empty_runs = _get_run_numbers_for_key(current_mode_run_numbers=all_run_numbers, key="empty_run_numbers")
+ vanadium_runs = _get_run_numbers_for_key(current_mode_run_numbers=all_run_numbers, key="vanadium_run_numbers")
+
+ grouping_file_name = _pearl_get_tt_grouping_file_name(inst_settings)
+
+ spline_identifier = [inst_settings.tt_mode]
+ if inst_settings.long_mode:
+ spline_identifier.append("_long")
+
+ return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
+ is_vanadium_run=is_vanadium_run, splined_name_list=spline_identifier,
+ grouping_file_name=grouping_file_name, empty_run_number=empty_runs,
+ vanadium_string=vanadium_runs, van_abs_file_name=inst_settings.van_absorb_file)
+
+
def normalise_ws_current(ws_to_correct, monitor_ws, spline_coeff, lambda_values, integration_range, ex_regions):
processed_monitor_ws = mantid.ConvertUnits(InputWorkspace=monitor_ws, Target="Wavelength")
processed_monitor_ws = mantid.CropWorkspace(InputWorkspace=processed_monitor_ws,
diff --git a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
index b14cc6c229531be6c6bb7c803aa44ad8bc6c3764..17b16008a4d36869532ebb2bda9cc59d36f532bd 100644
--- a/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
+++ b/scripts/Diffraction/isis_powder/polaris_routines/polaris_algs.py
@@ -4,8 +4,7 @@ import mantid.simpleapi as mantid
from isis_powder.routines import absorb_corrections, common
from isis_powder.routines.common_enums import WORKSPACE_UNITS
-from isis_powder.routines.run_details import create_run_details_object, \
- CustomFuncForRunDetails, RunDetailsWrappedCommonFuncs
+from isis_powder.routines.run_details import create_run_details_object, get_cal_mapping_dict
from isis_powder.polaris_routines import polaris_advanced_config
from six import PY3
@@ -21,32 +20,34 @@ def calculate_van_absorb_corrections(ws_to_correct, multiple_scattering, is_vana
return ws_to_correct
+def _get_run_numbers_for_key(current_mode_run_numbers, key):
+ err_message = "this must be under the relevant Rietveld or PDF mode."
+ return common.cal_map_dictionary_key_helper(current_mode_run_numbers, key=key,
+ append_to_error_message=err_message)
+
+
+def _get_current_mode_dictionary(run_number_string, inst_settings):
+ mapping_dict = get_cal_mapping_dict(run_number_string, inst_settings.cal_mapping_path)
+ # Get the current mode "Rietveld" or "PDF" run numbers
+ return common.cal_map_dictionary_key_helper(mapping_dict, inst_settings.mode)
+
+
def get_run_details(run_number_string, inst_settings, is_vanadium_run):
- cal_mapping_callable = CustomFuncForRunDetails().add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.get_cal_mapping_dict, run_number_string=run_number_string,
- inst_settings=inst_settings
- ).add_to_func_chain(user_function=polaris_get_chopper_config, inst_settings=inst_settings)
+ mode_run_numbers = _get_current_mode_dictionary(run_number_string, inst_settings)
# Get empty and vanadium
err_message = "this must be under the relevant Rietveld or PDF mode."
- empty_run_callable = cal_mapping_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="empty_run_numbers",
- append_to_error_message=err_message)
+ empty_runs = common.cal_map_dictionary_key_helper(mode_run_numbers,
+ key="empty_run_numbers", append_to_error_message=err_message)
+ vanadium_runs = common.cal_map_dictionary_key_helper(mode_run_numbers, key="vanadium_run_numbers",
+ append_to_error_message=err_message)
- vanadium_run_callable = cal_mapping_callable.add_to_func_chain(
- user_function=RunDetailsWrappedCommonFuncs.cal_dictionary_key_helper, key="vanadium_run_numbers",
- append_to_error_message=err_message)
+ grouping_file_name = inst_settings.grouping_file_name
return create_run_details_object(run_number_string=run_number_string, inst_settings=inst_settings,
- is_vanadium_run=is_vanadium_run, empty_run_call=empty_run_callable,
- vanadium_run_call=vanadium_run_callable)
-
-
-def polaris_get_chopper_config(forwarded_value, inst_settings):
- # Forwarded value should be a cal mapping
- cal_mapping = forwarded_value
- return common.cal_map_dictionary_key_helper(cal_mapping, inst_settings.mode)
+ is_vanadium_run=is_vanadium_run, empty_run_number=empty_runs,
+ vanadium_string=vanadium_runs, grouping_file_name=grouping_file_name)
def process_vanadium_for_focusing(bank_spectra, mask_path, spline_number):
diff --git a/scripts/Diffraction/isis_powder/routines/instrument_settings.py b/scripts/Diffraction/isis_powder/routines/instrument_settings.py
index ab60bda9a291809f7f2bbde1b2a824f46bc6197a..b8d39c5720a7f7245187d69acdc98a9b1586d312 100644
--- a/scripts/Diffraction/isis_powder/routines/instrument_settings.py
+++ b/scripts/Diffraction/isis_powder/routines/instrument_settings.py
@@ -126,9 +126,12 @@ class InstrumentSettings(object):
param_val = _check_value_is_in_enum(param_val, param_map.enum_class)
# Does the attribute exist - has it changed and are we suppressing warnings
+
if not suppress_warnings:
+
previous_value = getattr(self, attribute_name) if hasattr(self, attribute_name) else None
- if previous_value and previous_value != param_val:
+ if previous_value is not None and previous_value != param_val:
+
# Print warning of what we value we are replacing for which parameter
warnings.warn("Replacing parameter: '" + str(param_map.ext_name) + "' which was previously set to: '" +
str(getattr(self, attribute_name)) + "' with new value: '" + str(param_val) + "'")
diff --git a/scripts/Diffraction/isis_powder/routines/run_details.py b/scripts/Diffraction/isis_powder/routines/run_details.py
index 45079bbe066daa62d69a0e7f5a58f8e683a766ed..82a2bb6d6f8f641c27b14aec20d834332228becc 100644
--- a/scripts/Diffraction/isis_powder/routines/run_details.py
+++ b/scripts/Diffraction/isis_powder/routines/run_details.py
@@ -4,24 +4,24 @@ from isis_powder.routines import common, yaml_parser
import os
-def create_run_details_object(run_number_string, inst_settings, is_vanadium_run, empty_run_call=None,
- grouping_file_name_call=None, vanadium_run_call=None,
- splined_name_list=None, van_abs_file_name=None):
+def create_run_details_object(run_number_string, inst_settings, is_vanadium_run, empty_run_number,
+ grouping_file_name, vanadium_string, splined_name_list=None, van_abs_file_name=None):
"""
Creates and returns a run details object which holds various
properties about the current run.
:param run_number_string: The user string for the current run
:param inst_settings: The current instrument object
:param is_vanadium_run: Boolean of if the current run is a vanadium run
- :param empty_run_call: (Optional) Callable to setup custom empty run number(s) from mapping file
- :param grouping_file_name_call: (Optional) Callable to setup custom grouping file name
- :param vanadium_run_call: (Optional) Callable to setup custom van run number(s) from mapping file
+ :param empty_run_number: Empty run number(s) from mapping file
+ :param grouping_file_name: Filename of the grouping file found in the calibration folder
+ :param vanadium_string: Vanadium run number(s) from mapping file
:param splined_name_list: (Optional) List of unique properties to generate a splined vanadium name from
:param van_abs_file_name: (Optional) The name of the vanadium absorption file
:return: RunDetails object with attributes set to applicable values
"""
- cal_map_dict = RunDetailsWrappedCommonFuncs.get_cal_mapping_dict(
- run_number_string=run_number_string, inst_settings=inst_settings)
+ cal_map_dict = get_cal_mapping_dict(run_number_string=run_number_string,
+ cal_mapping_path=inst_settings.cal_mapping_path)
+
run_number = common.get_first_run_number(run_number_string=run_number_string)
# Get names of files we will be using
@@ -29,29 +29,18 @@ def create_run_details_object(run_number_string, inst_settings, is_vanadium_run,
label = common.cal_map_dictionary_key_helper(dictionary=cal_map_dict, key="label")
offset_file_name = common.cal_map_dictionary_key_helper(dictionary=cal_map_dict, key="offset_file_name")
- # Always make sure the offset file name is included
- if splined_name_list:
- # Force Python to make a copy so we don't modify original
- new_splined_list = list(splined_name_list)
- new_splined_list.append(os.path.basename(offset_file_name))
- else:
- new_splined_list = [os.path.basename(offset_file_name)]
-
- # These can either be generic or custom so defer to another method
- results_dict = _get_customisable_attributes(
- cal_dict=cal_map_dict, inst_settings=inst_settings, empty_run_call=empty_run_call,
- grouping_name_call=grouping_file_name_call, vanadium_run_call=vanadium_run_call,
- splined_name_list=new_splined_list)
+ # Prepend the properties used for creating a van spline so we can fingerprint the file
+ new_splined_list = splined_name_list if splined_name_list else []
+ new_splined_list.append(os.path.basename(offset_file_name))
- vanadium_run_string = results_dict["vanadium_runs"]
+ splined_van_name = common.generate_splined_name(vanadium_string, new_splined_list)
+ unsplined_van_name = common.generate_unsplined_name(vanadium_string, new_splined_list)
if is_vanadium_run:
# The run number should be the vanadium number in this case
- run_number = vanadium_run_string
- output_run_string = vanadium_run_string
- else:
- # Otherwise set it to the user input
- output_run_string = run_number_string
+ run_number = vanadium_string
+
+ output_run_string = vanadium_string if is_vanadium_run else run_number_string
# Get the file extension if set
file_extension = getattr(inst_settings, "file_extension")
@@ -65,124 +54,32 @@ def create_run_details_object(run_number_string, inst_settings, is_vanadium_run,
# Sample empty if there is one as this is instrument specific
sample_empty = getattr(inst_settings, "sample_empty", None)
- # Generate the paths
- grouping_file_path = os.path.join(calibration_dir, results_dict["grouping_file_name"])
-
- # By default, offset file sits in correct label folder, but it can also be given as an absolute path
+ # By default, offset file sits in the calibration folder, but it can also be given as an absolute path
if os.path.exists(offset_file_name):
offset_file_path = offset_file_name
else:
offset_file_path = os.path.join(calibration_dir, label, offset_file_name)
- # splined vanadium is within the correct label folder
- splined_van_path = os.path.join(calibration_dir, label, results_dict["splined_van_name"])
- unsplined_van_path = os.path.join(calibration_dir, label, results_dict["unsplined_van_name"])
+ # Generate the paths
+ grouping_file_path = os.path.join(calibration_dir, grouping_file_name)
+ splined_van_path = os.path.join(calibration_dir, label, splined_van_name)
+ unsplined_van_path = os.path.join(calibration_dir, label, unsplined_van_name)
van_absorb_path = os.path.join(calibration_dir, van_abs_file_name) if van_abs_file_name else None
- return _RunDetails(empty_run_number=results_dict["empty_runs"], file_extension=file_extension,
+ return _RunDetails(empty_run_number=empty_run_number, file_extension=file_extension,
run_number=run_number, output_run_string=output_run_string, label=label,
offset_file_path=offset_file_path, grouping_file_path=grouping_file_path,
- splined_vanadium_path=splined_van_path, vanadium_run_number=vanadium_run_string,
+ splined_vanadium_path=splined_van_path, vanadium_run_number=vanadium_string,
sample_empty=sample_empty, vanadium_abs_path=van_absorb_path,
unsplined_vanadium_path=unsplined_van_path, output_suffix=suffix)
-def _get_customisable_attributes(cal_dict, inst_settings, empty_run_call, grouping_name_call, vanadium_run_call,
- splined_name_list):
- dict_to_return = {}
- if empty_run_call:
- empty_runs = empty_run_call.get_result()
- else:
- empty_runs = common.cal_map_dictionary_key_helper(dictionary=cal_dict, key="empty_run_numbers")
- dict_to_return["empty_runs"] = empty_runs
-
- if vanadium_run_call:
- vanadium_runs = vanadium_run_call.get_result()
- else:
- vanadium_runs = common.cal_map_dictionary_key_helper(dictionary=cal_dict, key="vanadium_run_numbers")
- dict_to_return["vanadium_runs"] = vanadium_runs
-
- if grouping_name_call:
- grouping_name = grouping_name_call.get_result()
- else:
- grouping_name = inst_settings.grouping_file_name
- dict_to_return["grouping_file_name"] = grouping_name
-
- dict_to_return["splined_van_name"] = common.generate_splined_name(vanadium_runs, splined_name_list)
- dict_to_return["unsplined_van_name"] = common.generate_unsplined_name(vanadium_runs, splined_name_list)
-
- return dict_to_return
-
-
-class RunDetailsWrappedCommonFuncs(object):
- """
- Creates a compatible signature when using custom functions when
- constructing RunDetails objects and calls the common methods underneath.
- """
- @staticmethod
- def get_cal_mapping_dict(run_number_string, inst_settings):
- # Get the python dictionary from the YAML mapping
- run_number = common.get_first_run_number(run_number_string=run_number_string)
- cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number,
- file_path=inst_settings.cal_mapping_path)
- return cal_mapping_dict
-
- @staticmethod
- def cal_dictionary_key_helper(key, append_to_error_message=None, **kwargs):
- dictionary = kwargs.pop("forwarded_value")
- return common.cal_map_dictionary_key_helper(dictionary=dictionary, key=key,
- append_to_error_message=append_to_error_message)
-
-
-class CustomFuncForRunDetails(object):
- # Holds a callable method, associated args and return value so we can pass it in
- # as a single method
-
- def __init__(self, user_function=None, *args, **func_kwargs):
- if args:
- # If we allow args with position Python gets confused as the forwarded value can be in the first place too
- raise RuntimeError("Cannot use un-named arguments with callable methods")
-
- self.user_function = user_function
- self.function_kwargs = func_kwargs
-
- self._previous_callable = None
- self._returned_value = None
- self._function_is_executed = False
-
- def _exec_func(self):
- forwarded_value = self._previous_callable.get_result() if self._previous_callable else None
-
- if not self.user_function:
- # We maybe are the 0th case just return any values we hold
- return forwarded_value
-
- if forwarded_value:
- self.function_kwargs["forwarded_value"] = forwarded_value
- self._returned_value = self.user_function(**self.function_kwargs)
- else:
- self._returned_value = self.user_function(**self.function_kwargs)
-
- self._function_is_executed = True
-
- def _set_previous_callable(self, previous_callable):
- if not previous_callable:
- return None
- elif not isinstance(previous_callable, CustomFuncForRunDetails):
- raise ValueError("Previous callable is not a CustomFuncForRunDetails type")
-
- self._previous_callable = previous_callable
-
- def add_to_func_chain(self, user_function, *args, **func_kwargs):
- # Construct a new object that will be the next in line
- next_in_chain = CustomFuncForRunDetails(user_function=user_function, *args, **func_kwargs)
- next_in_chain._set_previous_callable(self)
- return next_in_chain
-
- def get_result(self):
- if not self._function_is_executed:
- self._exec_func()
- return self._returned_value
+def get_cal_mapping_dict(run_number_string, cal_mapping_path):
+ # Get the python dictionary from the YAML mapping
+ run_number = common.get_first_run_number(run_number_string=run_number_string)
+ cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number,
+ file_path=cal_mapping_path)
+ return cal_mapping_dict
class _RunDetails(object):
diff --git a/scripts/test/ISISPowderAbstractInstrumentTest.py b/scripts/test/ISISPowderAbstractInstrumentTest.py
index bfaf0946e50432edb3f2d37ae379a2b8a25022b0..233ab828e01c08cacaf1fc03559ff600bced8de7 100644
--- a/scripts/test/ISISPowderAbstractInstrumentTest.py
+++ b/scripts/test/ISISPowderAbstractInstrumentTest.py
@@ -5,9 +5,11 @@ import mantid
from isis_powder.abstract_inst import AbstractInst
from isis_powder.routines.instrument_settings import InstrumentSettings
from isis_powder.routines.param_map_entry import ParamMapEntry
-from isis_powder.routines import run_details
+from isis_powder.routines import common, run_details, yaml_parser
import os
+import random
+import string
import tempfile
import unittest
import warnings
@@ -30,11 +32,13 @@ class ISISPowderAbstractInstrumentTest(unittest.TestCase):
self.fail("Could not find file \"{}\"".format(name))
return full_path
- def _setup_mock_inst(self, calibration_dir, output_dir, suffix=None):
+ def _setup_mock_inst(self, yaml_file_path, calibration_dir, output_dir, suffix=None):
calib_file_path = self._find_file_or_die(self.CALIB_FILE_NAME)
grouping_file_path = self._find_file_or_die(self.GROUPING_FILE_NAME)
-
- return _MockInst(group_file=grouping_file_path, cal_dir=calibration_dir,
+ test_configuration_path = mantid.api.FileFinder.getFullPath(yaml_file_path)
+ if not test_configuration_path or len(test_configuration_path) <= 0:
+ self.fail("Could not find the unit test input file called: " + str(yaml_file_path))
+ return _MockInst(cal_file_path=test_configuration_path, group_file=grouping_file_path, cal_dir=calibration_dir,
out_dir=output_dir, cal_map=calib_file_path, suffix=suffix)
def tearDown(self):
@@ -49,11 +53,24 @@ class ISISPowderAbstractInstrumentTest(unittest.TestCase):
cal_dir = self._create_temp_dir()
out_dir = self._create_temp_dir()
- mock_inst = self._setup_mock_inst(suffix="-suf", calibration_dir=cal_dir, output_dir=out_dir)
+ mock_inst = self._setup_mock_inst(suffix="-suf", yaml_file_path="ISISPowderRunDetailsTest.yaml",
+ calibration_dir=cal_dir, output_dir=out_dir)
run_number = 15
+ run_number2 = common.get_first_run_number(run_number_string=run_number)
+ cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number2,
+ file_path=mock_inst.cal_mapping_path)
+
+ grouping_filename = _gen_random_string()
+ empty_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="empty_run_numbers")
+ vanadium_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="vanadium_run_numbers")
+
run_details_obj = run_details.create_run_details_object(run_number_string=run_number,
inst_settings=mock_inst._inst_settings,
- is_vanadium_run=False)
+ is_vanadium_run=False,
+ grouping_file_name=grouping_filename,
+ empty_run_number=empty_runs,
+ vanadium_string=vanadium_runs)
+
output_paths = mock_inst._generate_out_file_paths(run_details=run_details_obj)
expected_nxs_filename = os.path.join(out_dir,
@@ -66,7 +83,9 @@ class ISISPowderAbstractInstrumentTest(unittest.TestCase):
# Setup basic instrument mock
cal_dir = self._create_temp_dir()
out_dir = self._create_temp_dir()
- mock_inst = self._setup_mock_inst(calibration_dir=cal_dir, output_dir=out_dir)
+ mock_inst = self._setup_mock_inst(calibration_dir=cal_dir, output_dir=out_dir,
+ yaml_file_path="ISISPowderRunDetailsTest.yaml"
+ )
# Test valid parameters are retained
mock_inst.set_beam_parameters(height=1.234, width=2)
@@ -77,7 +96,8 @@ class ISISPowderAbstractInstrumentTest(unittest.TestCase):
# Setup basic instrument mock
cal_dir = self._create_temp_dir()
out_dir = self._create_temp_dir()
- mock_inst = self._setup_mock_inst(calibration_dir=cal_dir, output_dir=out_dir)
+ mock_inst = self._setup_mock_inst(calibration_dir=cal_dir, output_dir=out_dir,
+ yaml_file_path="ISISPowderRunDetailsTest.yaml")
# Test combination of positive / negative raise exceptions
self.assertRaises(ValueError, mock_inst.set_beam_parameters, height=1.234, width=-2)
@@ -89,6 +109,10 @@ class ISISPowderAbstractInstrumentTest(unittest.TestCase):
self.assertRaises(ValueError, mock_inst.set_beam_parameters, height=-1.234, width=True)
+def _gen_random_string():
+ return ''.join(random.choice(string.ascii_lowercase) for _ in range(10))
+
+
class _MockInst(AbstractInst):
_param_map = [
@@ -103,10 +127,11 @@ class _MockInst(AbstractInst):
_advanced_config = {"user_name": "ISISPowderAbstractInstrumentTest"}
INST_PREFIX = "MOCK"
- def __init__(self, **kwargs):
+ def __init__(self, cal_file_path, **kwargs):
self._inst_settings = InstrumentSettings(param_map=self._param_map,
adv_conf_dict=self._advanced_config,
kwargs=kwargs)
+ self.cal_mapping_path = cal_file_path
super(_MockInst, self).__init__(user_name=self._inst_settings.user_name,
calibration_dir=self._inst_settings.calibration_dir,
diff --git a/scripts/test/ISISPowderRunDetailsTest.py b/scripts/test/ISISPowderRunDetailsTest.py
index 305fd52c7c0d987787219b391996522f41e68ce9..a2ca430b060dd9a66ba4f9460cf81214c4be8989 100644
--- a/scripts/test/ISISPowderRunDetailsTest.py
+++ b/scripts/test/ISISPowderRunDetailsTest.py
@@ -1,14 +1,15 @@
from __future__ import (absolute_import, division, print_function)
import mantid.api
-import tempfile
import os
import random
import string
+import tempfile
import unittest
import warnings
from isis_powder.routines import run_details
+from isis_powder.routines import common, yaml_parser
class ISISPowderInstrumentRunDetailsTest(unittest.TestCase):
@@ -39,9 +40,17 @@ class ISISPowderInstrumentRunDetailsTest(unittest.TestCase):
expected_offset_file_name = "offset_file_name"
run_number_string = "17-18"
mock_inst = self.setup_mock_inst_settings(yaml_file_path="ISISPowderRunDetailsTest.yaml")
+ run_number = common.get_first_run_number(run_number_string=run_number_string)
+ cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number,
+ file_path=mock_inst.cal_mapping_path)
+
+ grouping_filename = mock_inst.grouping_file_name
+ empty_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="empty_run_numbers")
+ vanadium_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="vanadium_run_numbers")
output_obj = run_details.create_run_details_object(run_number_string=run_number_string, inst_settings=mock_inst,
- is_vanadium_run=False)
+ is_vanadium_run=False, grouping_file_name=grouping_filename,
+ empty_run_number=empty_runs, vanadium_string=vanadium_runs)
self.assertEqual(output_obj.empty_runs, expected_empty_runs)
self.assertEqual(output_obj.grouping_file_path,
@@ -62,57 +71,43 @@ class ISISPowderInstrumentRunDetailsTest(unittest.TestCase):
run_number_string = "17-18"
expected_vanadium_runs = "11-12"
mock_inst = self.setup_mock_inst_settings(yaml_file_path="ISISPowderRunDetailsTest.yaml")
+ run_number = common.get_first_run_number(run_number_string=run_number_string)
+ cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number,
+ file_path=mock_inst.cal_mapping_path)
+
+ grouping_filename = mock_inst.grouping_file_name
+ empty_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="empty_run_numbers")
+ vanadium_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="vanadium_run_numbers")
+
output_obj = run_details.create_run_details_object(run_number_string=run_number_string, inst_settings=mock_inst,
- is_vanadium_run=True)
+ is_vanadium_run=True, grouping_file_name=grouping_filename,
+ empty_run_number=empty_runs, vanadium_string=vanadium_runs)
self.assertEqual(expected_vanadium_runs, output_obj.run_number)
self.assertEqual(output_obj.vanadium_run_numbers, output_obj.run_number)
self.assertEqual(expected_vanadium_runs, output_obj.output_run_string)
- def test_callable_params_are_used(self):
- # These attributes are based on a custom YAML file at the specified path
- expected_label = "16_4"
- expected_vanadium_runs = "11-12"
- expected_empty_runs = "13-14"
- expected_grouping_file_name = "grouping_file"
- run_number_string = "17-18"
- mock_inst = self.setup_mock_inst_settings(yaml_file_path="ISISPowderRunDetailsTestCallable.yaml")
-
- # Get the YAML file as a dict first
- wrapped_funcs = run_details.RunDetailsWrappedCommonFuncs
-
- yaml_callable = run_details.CustomFuncForRunDetails(user_function=wrapped_funcs.get_cal_mapping_dict,
- run_number_string=run_number_string,
- inst_settings=mock_inst)
-
- empty_callable = yaml_callable.add_to_func_chain(user_function=wrapped_funcs.cal_dictionary_key_helper,
- key="custom_empty_run_numbers")
- vanadium_callable = yaml_callable.add_to_func_chain(user_function=wrapped_funcs.cal_dictionary_key_helper,
- key="custom_vanadium_run_numbers")
- grouping_callable = run_details.CustomFuncForRunDetails(user_function=lambda: expected_grouping_file_name)
- output_obj = run_details.create_run_details_object(run_number_string=run_number_string, inst_settings=mock_inst,
- is_vanadium_run=True, empty_run_call=empty_callable,
- vanadium_run_call=vanadium_callable,
- grouping_file_name_call=grouping_callable)
-
- self.assertEqual(output_obj.label, expected_label)
- self.assertEqual(output_obj.empty_runs, expected_empty_runs)
- self.assertEqual(output_obj.grouping_file_path,
- os.path.join(mock_inst.calibration_dir, expected_grouping_file_name))
- self.assertEqual(output_obj.vanadium_run_numbers, expected_vanadium_runs)
- self.assertEqual(output_obj.run_number, expected_vanadium_runs)
-
def test_run_details_splined_name_list_is_used(self):
expected_vanadium_runs = "11-12"
- expected_offset_file_name = "offset_file_name"
splined_name_list = ["bar", "bang", "baz"]
+ run_number_string = "10"
mock_inst = self.setup_mock_inst_settings(yaml_file_path="ISISPowderRunDetailsTest.yaml")
- output_obj = run_details.create_run_details_object(run_number_string=10, inst_settings=mock_inst,
- is_vanadium_run=False, splined_name_list=splined_name_list)
+ run_number = common.get_first_run_number(run_number_string=run_number_string)
+ cal_mapping_dict = yaml_parser.get_run_dictionary(run_number_string=run_number,
+ file_path=mock_inst.cal_mapping_path)
+
+ grouping_filename = mock_inst.grouping_file_name
+ empty_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="empty_run_numbers")
+ vanadium_runs = common.cal_map_dictionary_key_helper(dictionary=cal_mapping_dict, key="vanadium_run_numbers")
+
+ output_obj = run_details.create_run_details_object(run_number_string, inst_settings=mock_inst,
+ is_vanadium_run=False, splined_name_list=splined_name_list,
+ grouping_file_name=grouping_filename,
+ empty_run_number=empty_runs, vanadium_string=vanadium_runs)
expected_splined_out_str = ''.join('_' + val for val in splined_name_list)
expected_output_name = "VanSplined_" + expected_vanadium_runs + expected_splined_out_str
- expected_output_name += '_' + expected_offset_file_name + ".nxs"
+ expected_output_name += ".nxs"
expected_path = os.path.join(mock_inst.calibration_dir, output_obj.label, expected_output_name)
self.assertEqual(expected_path, output_obj.splined_vanadium_file_path)
@@ -123,11 +118,18 @@ class MockInstSettings(object):
self.cal_mapping_path = cal_file_path
self.grouping_file_name = MockInstSettings.gen_random_string()
self.file_extension = MockInstSettings.gen_random_string()
+ self.mode = "PDF"
@staticmethod
def gen_random_string():
return ''.join(random.choice(string.ascii_lowercase) for _ in range(10))
+def _get_current_mode_dictionary(run_number_string, inst_settings):
+ mapping_dict = run_details.get_cal_mapping_dict(run_number_string, inst_settings.cal_mapping_path)
+ # Get the current mode "Rietveld" or "PDF" run numbers
+ return common.cal_map_dictionary_key_helper(mapping_dict, inst_settings.mode)
+
+
if __name__ == "__main__":
unittest.main()
diff --git a/scripts/test/Muon/FFTPresenter_test.py b/scripts/test/Muon/FFTPresenter_test.py
index 846fd9886c1674570ac08b0205556035121c6b16..d3352a648b69539eaab573c1561c6b1dea71c8cd 100644
--- a/scripts/test/Muon/FFTPresenter_test.py
+++ b/scripts/test/Muon/FFTPresenter_test.py
@@ -28,6 +28,8 @@ class FFTPresenterTest(unittest.TestCase):
self.view.phaseCheckSignal = mock.Mock(return_value=True)
# needed for connect in presenter
self.view.buttonSignal = mock.Mock()
+ self.view.tableClickSignal = mock.Mock()
+ self.view.phaseCheckSignal = mock.Mock()
self.view.changed = mock.MagicMock()
self.view.changedHideUnTick = mock.MagicMock()
self.view.initFFTInput = mock.Mock(
@@ -74,9 +76,19 @@ class FFTPresenterTest(unittest.TestCase):
row, col = self.view.tableClickSignal()
self.presenter.tableClicked(row, col)
+ def test_connects(self):
+ assert(self.view.tableClickSignal.connect.call_count==1)
+ self.view.tableClickSignal.connect.assert_called_with(self.presenter.tableClicked)
+
+ assert(self.view.buttonSignal.connect.call_count==1)
+ self.view.buttonSignal.connect.assert_called_with(self.presenter.handleButton)
+
+ assert(self.view.phaseCheckSignal.connect.call_count==1)
+ self.view.phaseCheckSignal.connect.assert_called_with(self.presenter.phaseCheck)
+
def test_ImBox(self):
- self.sendSignal()
self.view.tableClickSignal = mock.Mock(return_value=[3, 1])
+ self.sendSignal()
assert(self.view.changedHideUnTick.call_count == 1)
assert(self.view.changed.call_count == 0)
diff --git a/scripts/test/Muon/MaxEntPresenter_test.py b/scripts/test/Muon/MaxEntPresenter_test.py
index 15e73d7830bb285d7d63e94848c7f8dfa2e51e75..9ee81d594cc8206d028b9d03cab1fa1e32d3fc59 100644
--- a/scripts/test/Muon/MaxEntPresenter_test.py
+++ b/scripts/test/Muon/MaxEntPresenter_test.py
@@ -49,14 +49,25 @@ class MaxEntPresenterTest(unittest.TestCase):
self.thread.threadWrapperSetup = mock.Mock()
self.thread.threadWrapperTearDown = mock.Mock()
- self.presenter.createThread=mock.Mock(return_value=self.thread)
- self.presenter.createPhaseThread=mock.Mock(return_value=self.thread)
+ def test_connects(self):
+ assert(self.view.cancelSignal.connect.call_count==1)
+ self.view.cancelSignal.connect.assert_called_with(self.presenter.cancel)
+
+ assert(self.view.maxEntButtonSignal.connect.call_count==1)
+ self.view.maxEntButtonSignal.connect.assert_called_with(self.presenter.handleMaxEntButton)
+
+ assert(self.view.phaseSignal.connect.call_count==1)
+ self.view.phaseSignal.connect.assert_called_with(self.presenter.handlePhase)
def test_button(self):
+ self.presenter.createThread = lambda *args:self.thread
+
self.presenter.handleMaxEntButton()
assert(self.view.initMaxEntInput.call_count==1)
assert(self.thread.start.call_count==1)
+ assert(self.thread.threadWrapperSetUp.call_count==1)
+
def test_dataHasChanged(self):
self.load.hasDataChanged = mock.MagicMock(return_value=True)
self.presenter.handleMaxEntButton()
diff --git a/scripts/test/Muon/transformWidget_test.py b/scripts/test/Muon/transformWidget_test.py
index 94c78456a0b014bf7f858b74453ef776cbe06b93..1e92c0c6a42bb2c63a883e1b00977505ee5fc947 100644
--- a/scripts/test/Muon/transformWidget_test.py
+++ b/scripts/test/Muon/transformWidget_test.py
@@ -16,7 +16,7 @@ if sys.version_info.major == 3:
else:
import mock
-class FFTTransformTest(unittest.TestCase):
+class TransformTest(unittest.TestCase):
def setUp(self):
self._qapp = mock_widget.mockQapp()
self.load= mock.create_autospec( load_utils.LoadUtils,spec_set=True)