diff --git a/Framework/MDAlgorithms/CMakeLists.txt b/Framework/MDAlgorithms/CMakeLists.txt
index eaabe33c98e4c9bf03d755364a3cf19cc57a982f..74165e18ae2e40222e6ffa37acb04ec485bf97e4 100644
--- a/Framework/MDAlgorithms/CMakeLists.txt
+++ b/Framework/MDAlgorithms/CMakeLists.txt
@@ -1,383 +1,386 @@
# GLOBs should be replaced with explicit listings
set ( SRC_FILES
- # Old TMP convertToMD code prepared for deprecation:
- # src/CreateMDFitWorkspace.cpp
- #end TMP
- src/AccumulateMD.cpp
- src/AndMD.cpp
- src/BaseConvertToDiffractionMDWorkspace.cpp
- src/BinMD.cpp
- src/BinaryOperationMD.cpp
- src/BooleanBinaryOperationMD.cpp
- src/BoxControllerSettingsAlgorithm.cpp
- src/CalculateCoverageDGS.cpp
- src/CentroidPeaksMD.cpp
- src/CentroidPeaksMD2.cpp
- src/ChangeQConvention.cpp
- src/CloneMDWorkspace.cpp
- src/CompactMD.cpp
- src/CompareMDWorkspaces.cpp
- src/ConvToMDBase.cpp
- src/ConvToMDEventsWS.cpp
- src/ConvToMDHistoWS.cpp
- src/ConvToMDSelector.cpp
- src/ConvertCWPDMDToSpectra.cpp
- src/ConvertCWSDExpToMomentum.cpp
- src/ConvertCWSDMDtoHKL.cpp
- src/ConvertMDHistoToMatrixWorkspace.cpp
- src/ConvertSpiceDataToRealSpace.cpp
- src/ConvertToDetectorFaceMD.cpp
- src/ConvertToDiffractionMDWorkspace.cpp
- src/ConvertToDiffractionMDWorkspace2.cpp
- src/ConvertToDiffractionMDWorkspace3.cpp
- src/ConvertToMD.cpp
- src/ConvertToMDMinMaxGlobal.cpp
- src/ConvertToMDMinMaxLocal.cpp
- src/ConvertToMDParent.cpp
- src/ConvertToReflectometryQ.cpp
- src/CreateMD.cpp
- src/CreateMDHistoWorkspace.cpp
- src/CreateMDWorkspace.cpp
- src/CutMD.cpp
- src/DisplayNormalizationSetter.cpp
- src/DivideMD.cpp
- src/EqualToMD.cpp
- src/EvaluateMDFunction.cpp
- src/ExponentialMD.cpp
- src/FakeMDEventData.cpp
- src/FindPeaksMD.cpp
- src/FitMD.cpp
- src/GetSpiceDataRawCountsFromMD.cpp
- src/GreaterThanMD.cpp
- src/IDynamicRebinning.cpp
- src/ImportMDEventWorkspace.cpp
- src/ImportMDHistoWorkspace.cpp
- src/ImportMDHistoWorkspaceBase.cpp
- src/Integrate3DEvents.cpp
- src/IntegrateEllipsoids.cpp
- src/IntegrateEllipsoidsTwoStep.cpp
- src/IntegrateFlux.cpp
- src/IntegrateMDHistoWorkspace.cpp
- src/IntegratePeaksMD.cpp
- src/IntegratePeaksMD2.cpp
- src/IntegratePeaksMDHKL.cpp
- src/IntegratePeaksCWSD.cpp
- src/InvalidParameter.cpp
- src/InvalidParameterParser.cpp
- src/LessThanMD.cpp
- src/LoadMD.cpp
- src/LoadSQW.cpp
- src/LoadSQW2.cpp
- src/LogarithmMD.cpp
- src/MDEventWSWrapper.cpp
- src/MDNormDirectSC.cpp
- src/MDNormSCD.cpp
- src/MDTransfAxisNames.cpp
- src/MDTransfFactory.cpp
- src/MDTransfModQ.cpp
- src/MDTransfNoQ.cpp
- src/MDTransfQ3D.cpp
- src/MDWSDescription.cpp
- src/MDWSTransform.cpp
- src/MaskMD.cpp
- src/MergeMD.cpp
- src/MergeMDFiles.cpp
- src/MinusMD.cpp
- src/MultiplyMD.cpp
- src/NotMD.cpp
- src/OneStepMDEW.cpp
- src/OrMD.cpp
- src/PlusMD.cpp
- src/PowerMD.cpp
- src/PreprocessDetectorsToMD.cpp
- src/Quantification/CachedExperimentInfo.cpp
- src/Quantification/FitResolutionConvolvedModel.cpp
- src/Quantification/ForegroundModel.cpp
- src/Quantification/ForegroundModelFactory.cpp
- src/Quantification/MDResolutionConvolution.cpp
- src/Quantification/MDResolutionConvolutionFactory.cpp
- src/Quantification/Models/MullerAnsatz.cpp
- src/Quantification/Models/QCoordinate.cpp
- src/Quantification/Models/Strontium122.cpp
- src/Quantification/Resolution/ModeratorChopperResolution.cpp
- src/Quantification/Resolution/TobyFitBMatrix.cpp
- src/Quantification/Resolution/TobyFitResolutionModel.cpp
- src/Quantification/Resolution/TobyFitYVector.cpp
- src/Quantification/ResolutionConvolvedCrossSection.cpp
- src/Quantification/SimulateResolutionConvolvedModel.cpp
- src/QueryMDWorkspace.cpp
- src/ReflectometryTransformKiKf.cpp
- src/ReflectometryTransformP.cpp
- src/ReflectometryTransformQxQz.cpp
- src/ReplicateMD.cpp
- src/SaveIsawQvector.cpp
- src/SaveMD.cpp
- src/SaveMD2.cpp
- src/SaveZODS.cpp
- src/SetMDFrame.cpp
- src/SetMDUsingMask.cpp
- src/SliceMD.cpp
- src/SlicingAlgorithm.cpp
- src/SmoothMD.cpp
- src/ThresholdMD.cpp
- src/TransformMD.cpp
- src/TransposeMD.cpp
- src/UnaryOperationMD.cpp
- src/UnitsConversionHelper.cpp
- src/UserFunctionMD.cpp
- src/WeightedMeanMD.cpp
- src/XorMD.cpp
- )
+ # Old TMP convertToMD code prepared for deprecation:
+ # src/CreateMDFitWorkspace.cpp
+ #end TMP
+ src/AccumulateMD.cpp
+ src/AndMD.cpp
+ src/BaseConvertToDiffractionMDWorkspace.cpp
+ src/BinMD.cpp
+ src/BinaryOperationMD.cpp
+ src/BooleanBinaryOperationMD.cpp
+ src/BoxControllerSettingsAlgorithm.cpp
+ src/CalculateCoverageDGS.cpp
+ src/CentroidPeaksMD.cpp
+ src/CentroidPeaksMD2.cpp
+ src/ChangeQConvention.cpp
+ src/CloneMDWorkspace.cpp
+ src/CompactMD.cpp
+ src/CompareMDWorkspaces.cpp
+ src/ConvToMDBase.cpp
+ src/ConvToMDEventsWS.cpp
+ src/ConvToMDHistoWS.cpp
+ src/ConvToMDSelector.cpp
+ src/ConvertCWPDMDToSpectra.cpp
+ src/ConvertCWSDExpToMomentum.cpp
+ src/ConvertCWSDMDtoHKL.cpp
+ src/ConvertMDHistoToMatrixWorkspace.cpp
+ src/ConvertSpiceDataToRealSpace.cpp
+ src/ConvertToDetectorFaceMD.cpp
+ src/ConvertToDiffractionMDWorkspace.cpp
+ src/ConvertToDiffractionMDWorkspace2.cpp
+ src/ConvertToDiffractionMDWorkspace3.cpp
+ src/ConvertToMD.cpp
+ src/ConvertToMDMinMaxGlobal.cpp
+ src/ConvertToMDMinMaxLocal.cpp
+ src/ConvertToMDParent.cpp
+ src/ConvertToReflectometryQ.cpp
+ src/CreateMD.cpp
+ src/CreateMDHistoWorkspace.cpp
+ src/CreateMDWorkspace.cpp
+ src/CutMD.cpp
+ src/DisplayNormalizationSetter.cpp
+ src/DivideMD.cpp
+ src/EqualToMD.cpp
+ src/EvaluateMDFunction.cpp
+ src/ExponentialMD.cpp
+ src/FakeMDEventData.cpp
+ src/FindPeaksMD.cpp
+ src/FitMD.cpp
+ src/GetSpiceDataRawCountsFromMD.cpp
+ src/GreaterThanMD.cpp
+ src/IDynamicRebinning.cpp
+ src/ImportMDEventWorkspace.cpp
+ src/ImportMDHistoWorkspace.cpp
+ src/ImportMDHistoWorkspaceBase.cpp
+ src/Integrate3DEvents.cpp
+ src/IntegrateEllipsoids.cpp
+ src/IntegrateEllipsoidsTwoStep.cpp
+ src/IntegrateFlux.cpp
+ src/IntegrateMDHistoWorkspace.cpp
+ src/IntegratePeaksCWSD.cpp
+ src/IntegratePeaksMD.cpp
+ src/IntegratePeaksMD2.cpp
+ src/IntegratePeaksMDHKL.cpp
+ src/InvalidParameter.cpp
+ src/InvalidParameterParser.cpp
+ src/LessThanMD.cpp
+ src/LoadDNSSCD.cpp
+ src/LoadMD.cpp
+ src/LoadSQW.cpp
+ src/LoadSQW2.cpp
+ src/LogarithmMD.cpp
+ src/MDEventWSWrapper.cpp
+ src/MDNormDirectSC.cpp
+ src/MDNormSCD.cpp
+ src/MDTransfAxisNames.cpp
+ src/MDTransfFactory.cpp
+ src/MDTransfModQ.cpp
+ src/MDTransfNoQ.cpp
+ src/MDTransfQ3D.cpp
+ src/MDWSDescription.cpp
+ src/MDWSTransform.cpp
+ src/MaskMD.cpp
+ src/MergeMD.cpp
+ src/MergeMDFiles.cpp
+ src/MinusMD.cpp
+ src/MultiplyMD.cpp
+ src/NotMD.cpp
+ src/OneStepMDEW.cpp
+ src/OrMD.cpp
+ src/PlusMD.cpp
+ src/PowerMD.cpp
+ src/PreprocessDetectorsToMD.cpp
+ src/Quantification/CachedExperimentInfo.cpp
+ src/Quantification/FitResolutionConvolvedModel.cpp
+ src/Quantification/ForegroundModel.cpp
+ src/Quantification/ForegroundModelFactory.cpp
+ src/Quantification/MDResolutionConvolution.cpp
+ src/Quantification/MDResolutionConvolutionFactory.cpp
+ src/Quantification/Models/MullerAnsatz.cpp
+ src/Quantification/Models/QCoordinate.cpp
+ src/Quantification/Models/Strontium122.cpp
+ src/Quantification/Resolution/ModeratorChopperResolution.cpp
+ src/Quantification/Resolution/TobyFitBMatrix.cpp
+ src/Quantification/Resolution/TobyFitResolutionModel.cpp
+ src/Quantification/Resolution/TobyFitYVector.cpp
+ src/Quantification/ResolutionConvolvedCrossSection.cpp
+ src/Quantification/SimulateResolutionConvolvedModel.cpp
+ src/QueryMDWorkspace.cpp
+ src/ReflectometryTransformKiKf.cpp
+ src/ReflectometryTransformP.cpp
+ src/ReflectometryTransformQxQz.cpp
+ src/ReplicateMD.cpp
+ src/SaveIsawQvector.cpp
+ src/SaveMD.cpp
+ src/SaveMD2.cpp
+ src/SaveZODS.cpp
+ src/SetMDFrame.cpp
+ src/SetMDUsingMask.cpp
+ src/SliceMD.cpp
+ src/SlicingAlgorithm.cpp
+ src/SmoothMD.cpp
+ src/ThresholdMD.cpp
+ src/TransformMD.cpp
+ src/TransposeMD.cpp
+ src/UnaryOperationMD.cpp
+ src/UnitsConversionHelper.cpp
+ src/UserFunctionMD.cpp
+ src/WeightedMeanMD.cpp
+ src/XorMD.cpp
+)
#set ( SRC_UNITY_IGNORE_FILES src/IDynamicRebinning.cpp
#)
set ( INC_FILES
- inc/MantidMDAlgorithms/AccumulateMD.h
- inc/MantidMDAlgorithms/AndMD.h
- inc/MantidMDAlgorithms/BaseConvertToDiffractionMDWorkspace.h
- inc/MantidMDAlgorithms/BinMD.h
- inc/MantidMDAlgorithms/BinaryOperationMD.h
- inc/MantidMDAlgorithms/BooleanBinaryOperationMD.h
- inc/MantidMDAlgorithms/BoxControllerSettingsAlgorithm.h
- inc/MantidMDAlgorithms/CalculateCoverageDGS.h
- inc/MantidMDAlgorithms/CentroidPeaksMD.h
- inc/MantidMDAlgorithms/CentroidPeaksMD2.h
- inc/MantidMDAlgorithms/ChangeQConvention.h
- inc/MantidMDAlgorithms/CloneMDWorkspace.h
- inc/MantidMDAlgorithms/CompactMD.h
- inc/MantidMDAlgorithms/CompareMDWorkspaces.h
- inc/MantidMDAlgorithms/ConvToMDBase.h
- inc/MantidMDAlgorithms/ConvertCWPDMDToSpectra.h
- inc/MantidMDAlgorithms/ConvertCWSDExpToMomentum.h
- inc/MantidMDAlgorithms/ConvertCWSDMDtoHKL.h
- inc/MantidMDAlgorithms/ConvertMDHistoToMatrixWorkspace.h
- inc/MantidMDAlgorithms/ConvertSpiceDataToRealSpace.h
- inc/MantidMDAlgorithms/ConvertToDetectorFaceMD.h
- inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace.h
- inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace2.h
- inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace3.h
- inc/MantidMDAlgorithms/ConvertToMD.h
- inc/MantidMDAlgorithms/ConvertToMDMinMaxGlobal.h
- inc/MantidMDAlgorithms/ConvertToMDMinMaxLocal.h
- inc/MantidMDAlgorithms/ConvertToMDParent.h
- inc/MantidMDAlgorithms/ConvertToReflectometryQ.h
- inc/MantidMDAlgorithms/CreateMD.h
- inc/MantidMDAlgorithms/CreateMDHistoWorkspace.h
- inc/MantidMDAlgorithms/CreateMDWorkspace.h
- inc/MantidMDAlgorithms/CutMD.h
- inc/MantidMDAlgorithms/DisplayNormalizationSetter.h
- inc/MantidMDAlgorithms/DivideMD.h
- inc/MantidMDAlgorithms/DllConfig.h
- inc/MantidMDAlgorithms/EqualToMD.h
- inc/MantidMDAlgorithms/EvaluateMDFunction.h
- inc/MantidMDAlgorithms/ExponentialMD.h
- inc/MantidMDAlgorithms/FakeMDEventData.h
- inc/MantidMDAlgorithms/FindPeaksMD.h
- inc/MantidMDAlgorithms/FitMD.h
- inc/MantidMDAlgorithms/GSLFunctions.h
- inc/MantidMDAlgorithms/GetSpiceDataRawCountsFromMD.h
- inc/MantidMDAlgorithms/GreaterThanMD.h
- inc/MantidMDAlgorithms/IDynamicRebinning.h
- inc/MantidMDAlgorithms/ImportMDEventWorkspace.h
- inc/MantidMDAlgorithms/ImportMDHistoWorkspace.h
- inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h
- inc/MantidMDAlgorithms/Integrate3DEvents.h
- inc/MantidMDAlgorithms/IntegrateEllipsoids.h
- inc/MantidMDAlgorithms/IntegrateEllipsoidsTwoStep.h
- inc/MantidMDAlgorithms/IntegrateFlux.h
- inc/MantidMDAlgorithms/IntegrateMDHistoWorkspace.h
- inc/MantidMDAlgorithms/IntegratePeaksMD.h
- inc/MantidMDAlgorithms/IntegratePeaksMD2.h
- inc/MantidMDAlgorithms/IntegratePeaksMDHKL.h
- inc/MantidMDAlgorithms/IntegratePeaksCWSD.h
- inc/MantidMDAlgorithms/InvalidParameter.h
- inc/MantidMDAlgorithms/InvalidParameterParser.h
- inc/MantidMDAlgorithms/LessThanMD.h
- inc/MantidMDAlgorithms/LoadMD.h
- inc/MantidMDAlgorithms/LoadSQW.h
- inc/MantidMDAlgorithms/LoadSQW2.h
- inc/MantidMDAlgorithms/LogarithmMD.h
- inc/MantidMDAlgorithms/MDEventWSWrapper.h
- inc/MantidMDAlgorithms/MDNormDirectSC.h
- inc/MantidMDAlgorithms/MDNormSCD.h
- inc/MantidMDAlgorithms/MDTransfAxisNames.h
- inc/MantidMDAlgorithms/MDTransfFactory.h
- inc/MantidMDAlgorithms/MDTransfInterface.h
- inc/MantidMDAlgorithms/MDTransfModQ.h
- inc/MantidMDAlgorithms/MDTransfNoQ.h
- inc/MantidMDAlgorithms/MDTransfQ3D.h
- inc/MantidMDAlgorithms/MDWSDescription.h
- inc/MantidMDAlgorithms/MDWSTransform.h
- inc/MantidMDAlgorithms/MaskMD.h
- inc/MantidMDAlgorithms/MergeMD.h
- inc/MantidMDAlgorithms/MergeMDFiles.h
- inc/MantidMDAlgorithms/MinusMD.h
- inc/MantidMDAlgorithms/MultiplyMD.h
- inc/MantidMDAlgorithms/NotMD.h
- inc/MantidMDAlgorithms/OneStepMDEW.h
- inc/MantidMDAlgorithms/OrMD.h
- inc/MantidMDAlgorithms/PlusMD.h
- inc/MantidMDAlgorithms/PowerMD.h
- inc/MantidMDAlgorithms/PreprocessDetectorsToMD.h
- inc/MantidMDAlgorithms/Quantification/CachedExperimentInfo.h
- inc/MantidMDAlgorithms/Quantification/FitResolutionConvolvedModel.h
- inc/MantidMDAlgorithms/Quantification/ForegroundModel.h
- inc/MantidMDAlgorithms/Quantification/ForegroundModelFactory.h
- inc/MantidMDAlgorithms/Quantification/MDResolutionConvolution.h
- inc/MantidMDAlgorithms/Quantification/MDResolutionConvolutionFactory.h
- inc/MantidMDAlgorithms/Quantification/Models/MullerAnsatz.h
- inc/MantidMDAlgorithms/Quantification/Models/QCoordinate.h
- inc/MantidMDAlgorithms/Quantification/Models/Strontium122.h
- inc/MantidMDAlgorithms/Quantification/Resolution/ModeratorChopperResolution.h
- inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitBMatrix.h
- inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitResolutionModel.h
- inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitYVector.h
- inc/MantidMDAlgorithms/Quantification/ResolutionConvolvedCrossSection.h
- inc/MantidMDAlgorithms/Quantification/SimulateResolutionConvolvedModel.h
- inc/MantidMDAlgorithms/QueryMDWorkspace.h
- inc/MantidMDAlgorithms/ReflectometryTransformKiKf.h
- inc/MantidMDAlgorithms/ReflectometryTransformP.h
- inc/MantidMDAlgorithms/ReflectometryTransformQxQz.h
- inc/MantidMDAlgorithms/ReplicateMD.h
- inc/MantidMDAlgorithms/SaveIsawQvector.h
- inc/MantidMDAlgorithms/SaveMD.h
- inc/MantidMDAlgorithms/SaveMD2.h
- inc/MantidMDAlgorithms/SaveZODS.h
- inc/MantidMDAlgorithms/SetMDFrame.h
- inc/MantidMDAlgorithms/SetMDUsingMask.h
- inc/MantidMDAlgorithms/SliceMD.h
- inc/MantidMDAlgorithms/SlicingAlgorithm.h
- inc/MantidMDAlgorithms/SmoothMD.h
- inc/MantidMDAlgorithms/ThresholdMD.h
- inc/MantidMDAlgorithms/TransformMD.h
- inc/MantidMDAlgorithms/TransposeMD.h
- inc/MantidMDAlgorithms/UnaryOperationMD.h
- inc/MantidMDAlgorithms/UnitsConversionHelper.h
- inc/MantidMDAlgorithms/Vector3DParameter.h
- inc/MantidMDAlgorithms/Vector3DParameterParser.h
- inc/MantidMDAlgorithms/WeightedMeanMD.h
- inc/MantidMDAlgorithms/XorMD.h
- )
+ inc/MantidMDAlgorithms/AccumulateMD.h
+ inc/MantidMDAlgorithms/AndMD.h
+ inc/MantidMDAlgorithms/BaseConvertToDiffractionMDWorkspace.h
+ inc/MantidMDAlgorithms/BinMD.h
+ inc/MantidMDAlgorithms/BinaryOperationMD.h
+ inc/MantidMDAlgorithms/BooleanBinaryOperationMD.h
+ inc/MantidMDAlgorithms/BoxControllerSettingsAlgorithm.h
+ inc/MantidMDAlgorithms/CalculateCoverageDGS.h
+ inc/MantidMDAlgorithms/CentroidPeaksMD.h
+ inc/MantidMDAlgorithms/CentroidPeaksMD2.h
+ inc/MantidMDAlgorithms/ChangeQConvention.h
+ inc/MantidMDAlgorithms/CloneMDWorkspace.h
+ inc/MantidMDAlgorithms/CompactMD.h
+ inc/MantidMDAlgorithms/CompareMDWorkspaces.h
+ inc/MantidMDAlgorithms/ConvToMDBase.h
+ inc/MantidMDAlgorithms/ConvertCWPDMDToSpectra.h
+ inc/MantidMDAlgorithms/ConvertCWSDExpToMomentum.h
+ inc/MantidMDAlgorithms/ConvertCWSDMDtoHKL.h
+ inc/MantidMDAlgorithms/ConvertMDHistoToMatrixWorkspace.h
+ inc/MantidMDAlgorithms/ConvertSpiceDataToRealSpace.h
+ inc/MantidMDAlgorithms/ConvertToDetectorFaceMD.h
+ inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace.h
+ inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace2.h
+ inc/MantidMDAlgorithms/ConvertToDiffractionMDWorkspace3.h
+ inc/MantidMDAlgorithms/ConvertToMD.h
+ inc/MantidMDAlgorithms/ConvertToMDMinMaxGlobal.h
+ inc/MantidMDAlgorithms/ConvertToMDMinMaxLocal.h
+ inc/MantidMDAlgorithms/ConvertToMDParent.h
+ inc/MantidMDAlgorithms/ConvertToReflectometryQ.h
+ inc/MantidMDAlgorithms/CreateMD.h
+ inc/MantidMDAlgorithms/CreateMDHistoWorkspace.h
+ inc/MantidMDAlgorithms/CreateMDWorkspace.h
+ inc/MantidMDAlgorithms/CutMD.h
+ inc/MantidMDAlgorithms/DisplayNormalizationSetter.h
+ inc/MantidMDAlgorithms/DivideMD.h
+ inc/MantidMDAlgorithms/DllConfig.h
+ inc/MantidMDAlgorithms/EqualToMD.h
+ inc/MantidMDAlgorithms/EvaluateMDFunction.h
+ inc/MantidMDAlgorithms/ExponentialMD.h
+ inc/MantidMDAlgorithms/FakeMDEventData.h
+ inc/MantidMDAlgorithms/FindPeaksMD.h
+ inc/MantidMDAlgorithms/FitMD.h
+ inc/MantidMDAlgorithms/GSLFunctions.h
+ inc/MantidMDAlgorithms/GetSpiceDataRawCountsFromMD.h
+ inc/MantidMDAlgorithms/GreaterThanMD.h
+ inc/MantidMDAlgorithms/IDynamicRebinning.h
+ inc/MantidMDAlgorithms/ImportMDEventWorkspace.h
+ inc/MantidMDAlgorithms/ImportMDHistoWorkspace.h
+ inc/MantidMDAlgorithms/ImportMDHistoWorkspaceBase.h
+ inc/MantidMDAlgorithms/Integrate3DEvents.h
+ inc/MantidMDAlgorithms/IntegrateEllipsoids.h
+ inc/MantidMDAlgorithms/IntegrateEllipsoidsTwoStep.h
+ inc/MantidMDAlgorithms/IntegrateFlux.h
+ inc/MantidMDAlgorithms/IntegrateMDHistoWorkspace.h
+ inc/MantidMDAlgorithms/IntegratePeaksCWSD.h
+ inc/MantidMDAlgorithms/IntegratePeaksMD.h
+ inc/MantidMDAlgorithms/IntegratePeaksMD2.h
+ inc/MantidMDAlgorithms/IntegratePeaksMDHKL.h
+ inc/MantidMDAlgorithms/InvalidParameter.h
+ inc/MantidMDAlgorithms/InvalidParameterParser.h
+ inc/MantidMDAlgorithms/LessThanMD.h
+ inc/MantidMDAlgorithms/LoadDNSSCD.h
+ inc/MantidMDAlgorithms/LoadMD.h
+ inc/MantidMDAlgorithms/LoadSQW.h
+ inc/MantidMDAlgorithms/LoadSQW2.h
+ inc/MantidMDAlgorithms/LogarithmMD.h
+ inc/MantidMDAlgorithms/MDEventWSWrapper.h
+ inc/MantidMDAlgorithms/MDNormDirectSC.h
+ inc/MantidMDAlgorithms/MDNormSCD.h
+ inc/MantidMDAlgorithms/MDTransfAxisNames.h
+ inc/MantidMDAlgorithms/MDTransfFactory.h
+ inc/MantidMDAlgorithms/MDTransfInterface.h
+ inc/MantidMDAlgorithms/MDTransfModQ.h
+ inc/MantidMDAlgorithms/MDTransfNoQ.h
+ inc/MantidMDAlgorithms/MDTransfQ3D.h
+ inc/MantidMDAlgorithms/MDWSDescription.h
+ inc/MantidMDAlgorithms/MDWSTransform.h
+ inc/MantidMDAlgorithms/MaskMD.h
+ inc/MantidMDAlgorithms/MergeMD.h
+ inc/MantidMDAlgorithms/MergeMDFiles.h
+ inc/MantidMDAlgorithms/MinusMD.h
+ inc/MantidMDAlgorithms/MultiplyMD.h
+ inc/MantidMDAlgorithms/NotMD.h
+ inc/MantidMDAlgorithms/OneStepMDEW.h
+ inc/MantidMDAlgorithms/OrMD.h
+ inc/MantidMDAlgorithms/PlusMD.h
+ inc/MantidMDAlgorithms/PowerMD.h
+ inc/MantidMDAlgorithms/PreprocessDetectorsToMD.h
+ inc/MantidMDAlgorithms/Quantification/CachedExperimentInfo.h
+ inc/MantidMDAlgorithms/Quantification/FitResolutionConvolvedModel.h
+ inc/MantidMDAlgorithms/Quantification/ForegroundModel.h
+ inc/MantidMDAlgorithms/Quantification/ForegroundModelFactory.h
+ inc/MantidMDAlgorithms/Quantification/MDResolutionConvolution.h
+ inc/MantidMDAlgorithms/Quantification/MDResolutionConvolutionFactory.h
+ inc/MantidMDAlgorithms/Quantification/Models/MullerAnsatz.h
+ inc/MantidMDAlgorithms/Quantification/Models/QCoordinate.h
+ inc/MantidMDAlgorithms/Quantification/Models/Strontium122.h
+ inc/MantidMDAlgorithms/Quantification/Resolution/ModeratorChopperResolution.h
+ inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitBMatrix.h
+ inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitResolutionModel.h
+ inc/MantidMDAlgorithms/Quantification/Resolution/TobyFitYVector.h
+ inc/MantidMDAlgorithms/Quantification/ResolutionConvolvedCrossSection.h
+ inc/MantidMDAlgorithms/Quantification/SimulateResolutionConvolvedModel.h
+ inc/MantidMDAlgorithms/QueryMDWorkspace.h
+ inc/MantidMDAlgorithms/ReflectometryTransformKiKf.h
+ inc/MantidMDAlgorithms/ReflectometryTransformP.h
+ inc/MantidMDAlgorithms/ReflectometryTransformQxQz.h
+ inc/MantidMDAlgorithms/ReplicateMD.h
+ inc/MantidMDAlgorithms/SaveIsawQvector.h
+ inc/MantidMDAlgorithms/SaveMD.h
+ inc/MantidMDAlgorithms/SaveMD2.h
+ inc/MantidMDAlgorithms/SaveZODS.h
+ inc/MantidMDAlgorithms/SetMDFrame.h
+ inc/MantidMDAlgorithms/SetMDUsingMask.h
+ inc/MantidMDAlgorithms/SliceMD.h
+ inc/MantidMDAlgorithms/SlicingAlgorithm.h
+ inc/MantidMDAlgorithms/SmoothMD.h
+ inc/MantidMDAlgorithms/ThresholdMD.h
+ inc/MantidMDAlgorithms/TransformMD.h
+ inc/MantidMDAlgorithms/TransposeMD.h
+ inc/MantidMDAlgorithms/UnaryOperationMD.h
+ inc/MantidMDAlgorithms/UnitsConversionHelper.h
+ inc/MantidMDAlgorithms/Vector3DParameter.h
+ inc/MantidMDAlgorithms/Vector3DParameterParser.h
+ inc/MantidMDAlgorithms/WeightedMeanMD.h
+ inc/MantidMDAlgorithms/XorMD.h
+)
# Test files. Other source files required.
set ( TEST_FILES
- #
- # these tests are as they test verify different parts of the CPR algorithms
- #CreateMDFitWorkspaceTest.h
- AccumulateMDTest.h
- AndMDTest.h
- BooleanBinaryOperationMDTest.h
- BoxControllerSettingsAlgorithmTest.h
- CachedExperimentInfoTest.h
- CalculateCoverageDGSTest.h
- CentroidPeaksMD2Test.h
- CentroidPeaksMDTest.h
- ChangeQConventionTest.h
- CloneMDWorkspaceTest.h
- CompactMDTest.h
- CompareMDWorkspacesTest.h
- ConvertCWPDMDToSpectraTest.h
- ConvertCWSDExpToMomentumTest.h
- ConvertCWSDMDtoHKLTest.h
- ConvertEventsToMDTest.h
- ConvertMDHistoToMatrixWorkspaceTest.h
- ConvertSpiceDataToRealSpaceTest.h
- ConvertToDetectorFaceMDTest.h
- ConvertToDiffractionMDWorkspaceTest.h
- ConvertToDiffractionMDWorkspace2Test.h
- ConvertToDiffractionMDWorkspace3Test.h
- ConvertToMDComponentsTest.h
- ConvertToMDMinMaxGlobalTest.h
- ConvertToMDMinMaxLocalTest.h
- ConvertToMDTest.h
- ConvertToQ3DdETest.h
- ConvertToReflectometryQTest.h
- CreateMDHistoWorkspaceTest.h
- CreateMDTest.h
- CreateMDWorkspaceTest.h
- CutMDTest.h
- DisplayNormalizationSetterTest.h
- DivideMDTest.h
- EqualToMDTest.h
- EvaluateMDFunctionTest.h
- ExponentialMDTest.h
- FakeMDEventDataTest.h
- FindPeaksMDTest.h
- FitMDTest.h
- FitResolutionConvolvedModelTest.h
- ForegroundModelTest.h
- GetSpiceDataRawCountsFromMDTest.h
- GreaterThanMDTest.h
- ImportMDEventWorkspaceTest.h
- ImportMDHistoWorkspaceTest.h
- Integrate3DEventsTest.h
- IntegrateEllipsoidsTest.h
- IntegrateEllipsoidsTwoStepTest.h
- IntegrateFluxTest.h
- IntegrateMDHistoWorkspaceTest.h
- IntegratePeaksMD2Test.h
- IntegratePeaksMDHKLTest.h
- IntegratePeaksMDTest.h
- IntegratePeaksCWSDTest.h
- InvalidParameterParserTest.h
- InvalidParameterTest.h
- LessThanMDTest.h
- LoadMDTest.h
- LoadSQWTest.h
- LoadSQW2Test.h
- LogarithmMDTest.h
- MDEventWSWrapperTest.h
- MDNormDirectSCTest.h
- MDNormSCDTest.h
- MDResolutionConvolutionFactoryTest.h
- MDTransfAxisNamesTest.h
- MDTransfFactoryTest.h
- MDTransfModQTest.h
- MDTransfQ3DTest.h
- MDWSDescriptionTest.h
- MDWSTransfTest.h
- MaskMDTest.h
- MergeMDFilesTest.h
- MergeMDTest.h
- MinusMDTest.h
- ModeratorChopperResolutionTest.h
- MullerAnsatzTest.h
- MultiplyMDTest.h
- NotMDTest.h
- OneStepMDEWTest.h
- OrMDTest.h
- PlusMDTest.h
- PowerMDTest.h
- PreprocessDetectorsToMDTest.h
- QueryMDWorkspaceTest.h
- ReflectometryTransformKiKfTest.h
- ReflectometryTransformPTest.h
- ReflectometryTransformQxQzTest.h
- ReplicateMDTest.h
- ResolutionConvolvedCrossSectionTest.h
- SaveIsawQvectorTest.h
- SaveMD2Test.h
- SaveMDTest.h
- SaveZODSTest.h
- SetMDFrameTest.h
- SetMDUsingMaskTest.h
- SimulateResolutionConvolvedModelTest.h
- SliceMDTest.h
- SlicingAlgorithmTest.h
- SmoothMDTest.h
- Strontium122Test.h
- ThresholdMDTest.h
- TobyFitBMatrixTest.h
- TobyFitResolutionModelTest.h
- TobyFitYVectorTest.h
- TransformMDTest.h
- TransposeMDTest.h
- UnaryOperationMDTest.h
- UnitsConversionHelperTest.h
- WeightedMeanMDTest.h
- XorMDTest.h
- )
+ #
+ # these tests are as they test verify different parts of the CPR algorithms
+ #CreateMDFitWorkspaceTest.h
+ AccumulateMDTest.h
+ AndMDTest.h
+ BooleanBinaryOperationMDTest.h
+ BoxControllerSettingsAlgorithmTest.h
+ CachedExperimentInfoTest.h
+ CalculateCoverageDGSTest.h
+ CentroidPeaksMD2Test.h
+ CentroidPeaksMDTest.h
+ ChangeQConventionTest.h
+ CloneMDWorkspaceTest.h
+ CompactMDTest.h
+ CompareMDWorkspacesTest.h
+ ConvertCWPDMDToSpectraTest.h
+ ConvertCWSDExpToMomentumTest.h
+ ConvertCWSDMDtoHKLTest.h
+ ConvertEventsToMDTest.h
+ ConvertMDHistoToMatrixWorkspaceTest.h
+ ConvertSpiceDataToRealSpaceTest.h
+ ConvertToDetectorFaceMDTest.h
+ ConvertToDiffractionMDWorkspace2Test.h
+ ConvertToDiffractionMDWorkspace3Test.h
+ ConvertToDiffractionMDWorkspaceTest.h
+ ConvertToMDComponentsTest.h
+ ConvertToMDMinMaxGlobalTest.h
+ ConvertToMDMinMaxLocalTest.h
+ ConvertToMDTest.h
+ ConvertToQ3DdETest.h
+ ConvertToReflectometryQTest.h
+ CreateMDHistoWorkspaceTest.h
+ CreateMDTest.h
+ CreateMDWorkspaceTest.h
+ CutMDTest.h
+ DisplayNormalizationSetterTest.h
+ DivideMDTest.h
+ EqualToMDTest.h
+ EvaluateMDFunctionTest.h
+ ExponentialMDTest.h
+ FakeMDEventDataTest.h
+ FindPeaksMDTest.h
+ FitMDTest.h
+ FitResolutionConvolvedModelTest.h
+ ForegroundModelTest.h
+ GetSpiceDataRawCountsFromMDTest.h
+ GreaterThanMDTest.h
+ ImportMDEventWorkspaceTest.h
+ ImportMDHistoWorkspaceTest.h
+ Integrate3DEventsTest.h
+ IntegrateEllipsoidsTest.h
+ IntegrateEllipsoidsTwoStepTest.h
+ IntegrateFluxTest.h
+ IntegrateMDHistoWorkspaceTest.h
+ IntegratePeaksCWSDTest.h
+ IntegratePeaksMD2Test.h
+ IntegratePeaksMDHKLTest.h
+ IntegratePeaksMDTest.h
+ InvalidParameterParserTest.h
+ InvalidParameterTest.h
+ LessThanMDTest.h
+ LoadDNSSCDTest.h
+ LoadMDTest.h
+ LoadSQW2Test.h
+ LoadSQWTest.h
+ LogarithmMDTest.h
+ MDEventWSWrapperTest.h
+ MDNormDirectSCTest.h
+ MDNormSCDTest.h
+ MDResolutionConvolutionFactoryTest.h
+ MDTransfAxisNamesTest.h
+ MDTransfFactoryTest.h
+ MDTransfModQTest.h
+ MDTransfQ3DTest.h
+ MDWSDescriptionTest.h
+ MDWSTransfTest.h
+ MaskMDTest.h
+ MergeMDFilesTest.h
+ MergeMDTest.h
+ MinusMDTest.h
+ ModeratorChopperResolutionTest.h
+ MullerAnsatzTest.h
+ MultiplyMDTest.h
+ NotMDTest.h
+ OneStepMDEWTest.h
+ OrMDTest.h
+ PlusMDTest.h
+ PowerMDTest.h
+ PreprocessDetectorsToMDTest.h
+ QueryMDWorkspaceTest.h
+ ReflectometryTransformKiKfTest.h
+ ReflectometryTransformPTest.h
+ ReflectometryTransformQxQzTest.h
+ ReplicateMDTest.h
+ ResolutionConvolvedCrossSectionTest.h
+ SaveIsawQvectorTest.h
+ SaveMD2Test.h
+ SaveMDTest.h
+ SaveZODSTest.h
+ SetMDFrameTest.h
+ SetMDUsingMaskTest.h
+ SimulateResolutionConvolvedModelTest.h
+ SliceMDTest.h
+ SlicingAlgorithmTest.h
+ SmoothMDTest.h
+ Strontium122Test.h
+ ThresholdMDTest.h
+ TobyFitBMatrixTest.h
+ TobyFitResolutionModelTest.h
+ TobyFitYVectorTest.h
+ TransformMDTest.h
+ TransposeMDTest.h
+ UnaryOperationMDTest.h
+ UnitsConversionHelperTest.h
+ WeightedMeanMDTest.h
+ XorMDTest.h
+)
set ( GMOCK_TEST_FILES
BinaryOperationMDTest.h
diff --git a/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h
new file mode 100644
index 0000000000000000000000000000000000000000..ccbe77a9ce6a651d724cfc6930a808bebab045fe
--- /dev/null
+++ b/Framework/MDAlgorithms/inc/MantidMDAlgorithms/LoadDNSSCD.h
@@ -0,0 +1,106 @@
+#ifndef MANTID_MDALGORITHMS_LOADDNSSCD_H_
+#define MANTID_MDALGORITHMS_LOADDNSSCD_H_
+
+#include <vector>
+#include "MantidAPI/DataProcessorAlgorithm.h"
+#include "MantidAPI/IFileLoader.h"
+#include "MantidAPI/IMDEventWorkspace_fwd.h"
+#include "MantidKernel/System.h"
+#include "MantidDataObjects/MDEventWorkspace.h"
+#include "MantidKernel/Matrix.h"
+#include "MantidKernel/V3D.h"
+
+
+namespace Mantid {
+namespace MDAlgorithms {
+
+/** LoadDNSSCD : Load a list of DNS .d_dat files into a MDEventWorkspace
+
+ @author Marina Ganeva
+ @date 2018-02-15
+
+ Copyright © 2018 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
+ National Laboratory & European Spallation Source
+
+ This file is part of Mantid.
+
+ Mantid is free software; you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation; either version 3 of the License, or
+ (at your option) any later version.
+
+ Mantid is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with this program. If not, see <http://www.gnu.org/licenses/>.
+
+ File change history is stored at: <https://github.com/mantidproject/mantid>
+ Code Documentation is available at: <http://doxygen.mantidproject.org>
+*/
+class DLLExport LoadDNSSCD : public API::IFileLoader<Kernel::FileDescriptor> {
+public:
+ LoadDNSSCD();
+
+ /// Algorithm's name for identification
+ const std::string name() const override { return "LoadDNSSCD"; }
+
+ /// Summary of algorithms purpose
+ const std::string summary() const override {
+ return "Load a list of DNS .d_dat files into a MDEventWorkspace.";
+ }
+
+ /// Algorithm's version for identification
+ int version() const override { return 1; }
+
+ /// Algorithm's category for identification
+ const std::string category() const override {
+ return "MDAlgorithms\\DataHandling";
+ }
+
+ /// Returns a confidence value that this algorithm can load a file
+ int confidence(Kernel::FileDescriptor &descriptor) const override;
+
+private:
+ /// Initialise the properties
+ void init() override;
+ /// Run the algorithm
+ void exec() override;
+
+ /// number of workspace dimensions
+ size_t m_nDims;
+
+ /// type of normalization;
+ std::string m_normtype;
+ /// factor to multiply the error^2 for normalization
+ double m_normfactor;
+
+ /// structure for experimental data
+ struct ExpData {
+ double deterota;
+ double huber;
+ double wavelength;
+ double norm;
+ std::vector<double> signal;
+ std::vector<int> detID;
+ };
+
+ std::vector<ExpData> m_data;
+
+ /// Output IMDEventWorkspace
+ Mantid::API::IMDEventWorkspace_sptr m_OutWS;
+
+ void read_data(const std::string fname, std::map<std::string, std::string> &str_metadata, std::map<std::string, double> &num_metadata);
+ void fillOutputWorkspace(double wavelength);
+ API::ITableWorkspace_sptr saveHuber();
+ void loadHuber(API::ITableWorkspace_sptr tws);
+ template<class T>
+ void updateProperties(API::Run &run, std::map<std::string, T> &metadata, std::string time);
+};
+
+} // namespace MDAlgorithms
+} // namespace Mantid
+
+#endif /* MANTID_MDALGORITHMS_LOADDNSSCD_H_ */
diff --git a/Framework/MDAlgorithms/src/LoadDNSSCD.cpp b/Framework/MDAlgorithms/src/LoadDNSSCD.cpp
new file mode 100644
index 0000000000000000000000000000000000000000..ffc471e2b30b42571282cfa18f78f6aa8bc6c09f
--- /dev/null
+++ b/Framework/MDAlgorithms/src/LoadDNSSCD.cpp
@@ -0,0 +1,592 @@
+#include <regex>
+#include <map>
+#include <iterator>
+#include <iomanip>
+#include <boost/date_time/posix_time/posix_time.hpp>
+#include <boost/regex.hpp>
+#include <Poco/DateTimeFormat.h>
+#include <Poco/DateTimeFormatter.h>
+#include <Poco/DirectoryIterator.h>
+#include <Poco/Path.h>
+#include <Poco/File.h>
+#include "MantidMDAlgorithms/LoadDNSSCD.h"
+#include "MantidAPI/RegisterFileLoader.h"
+#include "MantidAPI/FileProperty.h"
+#include "MantidAPI/MultipleFileProperty.h"
+#include "MantidKernel/ConfigService.h"
+#include "MantidKernel/ArrayProperty.h"
+#include "MantidKernel/ArrayLengthValidator.h"
+#include "MantidKernel/BoundedValidator.h"
+#include "MantidKernel/ListValidator.h"
+#include "MantidGeometry/Crystal/OrientedLattice.h"
+#include "MantidKernel/VectorHelper.h"
+#include "MantidDataObjects/MDEventFactory.h"
+#include "MantidAPI/ExperimentInfo.h"
+#include "MantidAPI/Run.h"
+#include "MantidKernel/TimeSeriesProperty.h"
+#include "MantidGeometry/Crystal/IndexingUtils.h"
+#include "MantidGeometry/Crystal/OrientedLattice.h"
+#include "MantidGeometry/MDGeometry/HKL.h"
+#include "MantidKernel/UnitLabelTypes.h"
+#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/WorkspaceFactory.h"
+
+#include "MantidMDAlgorithms/MDWSDescription.h"
+#include "MantidMDAlgorithms/MDWSTransform.h"
+#include "MantidDataObjects/MDBoxBase.h"
+#include "MantidDataObjects/MDEventInserter.h"
+
+
+//========================
+// helper functions
+namespace {
+void eraseSubStr(std::string & str, const std::string & toErase) {
+ // Search for the substring in string
+ size_t pos = str.find(toErase);
+ if (pos != std::string::npos) {
+ // If found then erase it from string
+ str.erase(pos, toErase.length());
+ }
+}
+
+std::string parseTime(std::string &str){
+ // remove unnecessary symbols
+ eraseSubStr(str, "#");
+ eraseSubStr(str, "start");
+ eraseSubStr(str, "stopped");
+ eraseSubStr(str, "at");
+ auto it = std::find_if(str.begin() , str.end() ,
+ [](char ch){ return !std::isspace<char>(ch , std::locale::classic()) ; } );
+ str.erase(str.begin(), it);
+ using namespace boost::posix_time;
+ // try to parse as a posix time
+ try{
+ auto time = time_from_string(str);
+ return to_iso_extended_string(time);
+ } catch (std::exception &) {
+ // if time is not in posix format
+ // change all sindle-digit days to 0d (otherwise get_time does not parse)
+ boost::regex expr("\\s+([0-9]\\s+)");
+ std::string fmt{" 0\\1"};
+ str = boost::regex_replace(str, expr, fmt);
+ std::istringstream ss(str);
+ std::tm t = {};
+ ss >> std::get_time(&t, "%a %b %d %H:%M:%S %Y");
+ std::string result("");
+ if (!ss.fail()) {
+ auto time = ptime_from_tm(t);
+ return to_iso_extended_string(time);
+ }
+
+ return result;
+ }
+}
+
+
+} // anonymous namespace
+//============================
+
+using namespace Mantid::Kernel;
+using namespace Mantid::API;
+using namespace Mantid::DataObjects;
+using namespace Mantid::Geometry;
+
+namespace Mantid {
+namespace MDAlgorithms {
+
+DECLARE_FILELOADER_ALGORITHM(LoadDNSSCD)
+
+//----------------------------------------------------------------------------------------------
+/** Constructor
+*/
+LoadDNSSCD::LoadDNSSCD() : m_nDims(3){}
+
+/**
+* Return the confidence with with this algorithm can load the file
+* @param descriptor A descriptor for the file
+* @returns An integer specifying the confidence level. 0 indicates it will not
+* be used
+*/
+int LoadDNSSCD::confidence(Kernel::FileDescriptor &descriptor) const {
+ // DNS data acquisition writes ascii files with .d_dat extension
+ int confidence(0);
+ if ((descriptor.extension() == ".d_dat") && descriptor.isAscii()) {
+ confidence = 80;
+ }
+ return confidence;
+}
+
+//----------------------------------------------------------------------------------------------
+/** Initialize the algorithm's properties.
+ */
+void LoadDNSSCD::init() {
+ std::vector<std::string> exts(1, ".d_dat");
+ declareProperty(Kernel::make_unique<MultipleFileProperty>("Filenames", exts),
+ "Select one or more DNS SCD .d_dat files to load."
+ "Files must be measured at the same conditions.");
+
+ declareProperty(make_unique<WorkspaceProperty<IMDEventWorkspace>>(
+ "OutputWorkspace", "", Direction::Output),
+ "An output MDEventWorkspace.");
+
+ declareProperty(make_unique<WorkspaceProperty<IMDEventWorkspace>>(
+ "NormalizationWorkspace", "", Direction::Output),
+ "An output normalization MDEventWorkspace.");
+
+ const std::vector<std::string> normOptions = {"monitor", "time"};
+ declareProperty("Normalization", "monitor",
+ boost::make_shared<StringListValidator>(normOptions),
+ "Algorithm will create a separate normalization workspace. "
+ "Choose whether it should contain monitor counts or time.");
+
+ auto mustBePositive = boost::make_shared<BoundedValidator<double>>();
+ mustBePositive->setLower(0.0);
+ auto reasonableAngle = boost::make_shared<BoundedValidator<double>>();
+ reasonableAngle->setLower(5.0);
+ reasonableAngle->setUpper(175.0);
+ // clang-format off
+ auto mustBe3D = boost::make_shared<ArrayLengthValidator<double> >(3);
+ auto mustBe2D = boost::make_shared<ArrayLengthValidator<double> >(2);
+ // clang-format on
+ std::vector<double> u0(3, 0), v0(3, 0);
+ u0[0] = 1.;
+ u0[1] = 1.;
+ v0[2] = 1.;
+
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "a", 1.0, mustBePositive, Direction::Input),
+ "Lattice parameter a in Angstrom");
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "b", 1.0, mustBePositive, Direction::Input),
+ "Lattice parameter b in Angstrom");
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "c", 1.0, mustBePositive, Direction::Input),
+ "Lattice parameter c in Angstrom");
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "alpha", 90.0, reasonableAngle, Direction::Input),
+ "Angle between b and c in degrees");
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "beta", 90.0, reasonableAngle, Direction::Input),
+ "Angle between a and c in degrees");
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "gamma", 90.0, reasonableAngle, Direction::Input),
+ "Angle between a and b in degrees");
+
+ declareProperty(make_unique<PropertyWithValue<double>>(
+ "OmegaOffset", 0.0, boost::make_shared<BoundedValidator<double>>(),
+ Direction::Input),
+ "Angle in degrees between (hkl1) and the beam axis"
+ "if the goniometer is at zero.");
+ declareProperty(
+ Kernel::make_unique<ArrayProperty<double>>("hkl1", u0, mustBe3D),
+ "Indices of the vector in reciprocal space in the horizontal plane at angle Omegaoffset,"
+ "if the goniometer is at zero (considered absolute true in UB calculation)");
+
+ declareProperty(
+ Kernel::make_unique<ArrayProperty<double>>("hkl2", v0, mustBe3D),
+ "Indices of a second vector in reciprocal space in the horizontal plane not parallel to hkl1");
+
+ std::vector<double> ttl(2, 0);
+ ttl[1] = 180.0;
+ declareProperty(
+ Kernel::make_unique<ArrayProperty<double>>("2ThetaLimits", ttl, mustBe2D),
+ "Range (min, max) of scattering angles (2theta, degrees) to consider."
+ "Everything out of this range will be cut.");
+
+ declareProperty(
+ Kernel::make_unique<WorkspaceProperty<API::ITableWorkspace>>(
+ "LoadHuberFrom", "", Direction::Input, PropertyMode::Optional),
+ "A table workspace to load a list of raw sample rotation angles."
+ "Huber angles given in the data files will be ignored.");
+
+ declareProperty(
+ Kernel::make_unique<WorkspaceProperty<API::ITableWorkspace>>(
+ "SaveHuberTo", "", Direction::Output, PropertyMode::Optional),
+ "A workspace name to save a list of raw sample rotation angles.");
+}
+
+//----------------------------------------------------------------------------------------------
+/** Read Huber angles from a given table workspace.
+ */
+
+void LoadDNSSCD::loadHuber(ITableWorkspace_sptr tws) {
+ ColumnVector<double> huber = tws->getVector("Huber(degrees)");
+ // set huber[0] for each run in m_data
+ for(auto &ds : m_data) {
+ ds.huber = huber[0];
+ }
+ // dublicate runs for each huber in the table
+ std::vector<ExpData> old(m_data);
+ for (size_t i = 1; i < huber.size(); ++i){
+ for(auto &ds : old) {
+ ds.huber = huber[i];
+ m_data.push_back(ds);
+ }
+ }
+}
+
+//----------------------------------------------------------------------------------------------
+/** Save Huber angles to a given table workspace.
+ */
+Mantid::API::ITableWorkspace_sptr LoadDNSSCD::saveHuber() {
+ std::vector<double> huber;
+ for(auto ds : m_data)
+ huber.push_back(ds.huber);
+ // remove dublicates
+ std::sort(huber.begin(), huber.end());
+ huber.erase(unique(huber.begin(), huber.end()), huber.end());
+
+ Mantid::API::ITableWorkspace_sptr huberWS = WorkspaceFactory::Instance().createTable("TableWorkspace");
+ huberWS->addColumn("double", "Huber(degrees)");
+ for(size_t i=0; i< huber.size(); i++) {
+ huberWS->appendRow();
+ huberWS->cell<double>(i, 0) = huber[i];
+ }
+ return huberWS;
+}
+//----------------------------------------------------------------------------------------------
+/** Execute the algorithm.
+ */
+void LoadDNSSCD::exec() {
+ MultipleFileProperty *multiFileProp =
+ dynamic_cast<MultipleFileProperty *>(getPointerToProperty("Filenames"));
+ if (!multiFileProp) {
+ throw std::logic_error(
+ "Filenames property must have MultipleFileProperty type.");
+ }
+ std::vector<std::string> filenames = VectorHelper::flattenVector(multiFileProp->operator()());
+ if (filenames.empty())
+ throw std::invalid_argument("Must specify at least one filename.");
+
+ // set type of normalization
+ std::string normtype = getProperty("Normalization");
+ if (normtype=="monitor") {
+ m_normtype = "Monitor";
+ m_normfactor = 1.0;
+ } else {
+ m_normtype = "Timer";
+ m_normfactor = 0.0; // error for time should be 0
+ }
+
+ g_log.notice() << "The normalization workspace will contain " << m_normtype << ".\n";
+
+ ExperimentInfo_sptr expinfo = boost::make_shared<ExperimentInfo>();
+ API::Run &run = expinfo->mutableRun();
+ for (auto fname : filenames) {
+ std::map<std::string, std::string> str_metadata;
+ std::map<std::string, double> num_metadata;
+ try {
+ read_data(fname, str_metadata, num_metadata);
+ //if no stop_time, take file_save_time
+ std::string time(str_metadata["stop_time"]);
+ if (time.empty()) {
+ g_log.warning() << "stop_time is empty! File save time will be used instead." << std::endl;
+ time = str_metadata["file_save_time"];
+ }
+ updateProperties<std::string>(run, str_metadata, time);
+ updateProperties<double>(run, num_metadata, time);
+ } catch(...) {
+ g_log.warning() << "Failed to read file " << fname;
+ g_log.warning() << ". This file will be ignored. " << std::endl;
+ }
+ }
+
+ if (m_data.empty())
+ throw std::runtime_error("No valid DNS files have been provided. Nothing to load.");
+
+ m_OutWS = MDEventFactory::CreateMDWorkspace(m_nDims, "MDEvent");
+
+ m_OutWS->addExperimentInfo(expinfo);
+
+ // load huber angles from a table workspace if given
+ ITableWorkspace_sptr huberWS = getProperty("LoadHuberFrom");
+ if(huberWS){
+ g_log.notice() << "Huber angles will be loaded from " << huberWS->getName() << std::endl;
+ loadHuber(huberWS);
+ }
+
+ // get wavelength
+ TimeSeriesProperty<double> *wlprop = dynamic_cast<TimeSeriesProperty<double> *>(expinfo->run().getProperty("Lambda"));
+ // assume, that lambda is in nm
+ double wavelength = wlprop->minValue()*10.0; // needed to estimate extents => minValue
+ run.addProperty("wavelength", wavelength);
+ run.getProperty("wavelength")->setUnits("Angstrom");
+
+ fillOutputWorkspace(wavelength);
+
+ std::string saveHuberTableWS = getProperty("SaveHuberTo");
+ if (!saveHuberTableWS.empty()) {
+ Mantid::API::ITableWorkspace_sptr huber_table = saveHuber();
+ setProperty("SaveHuberTo", huber_table);
+ }
+ setProperty("OutputWorkspace", m_OutWS);
+}
+
+//----------------------------------------------------------------------------------------------
+
+template <class T> void LoadDNSSCD::updateProperties(API::Run &run, std::map<std::string, T> &metadata, std::string time) {
+ typename std::map<std::string, T>::iterator it = metadata.begin();
+ while(it != metadata.end()) {
+ TimeSeriesProperty<T> *timeSeries(nullptr);
+ std::string name(it->first);
+ std::string units;
+ std::regex reg ("([a-zA-Z-_]+)\\[(.*)]");
+ std::smatch match;
+ if (std::regex_search(name, match, reg) && match.size() > 2) {
+ std::string new_name(match.str(1));
+ units.assign(match.str(2));
+ name = new_name;
+ }
+ if (run.hasProperty(name)) {
+ timeSeries =
+ dynamic_cast<TimeSeriesProperty<T> *>(run.getLogData(name));
+ if (!timeSeries)
+ throw std::invalid_argument(
+ "Log '" + name +
+ "' already exists but the values are a different type.");
+ } else {
+ timeSeries = new TimeSeriesProperty<T>(name);
+ if (!units.empty())
+ timeSeries->setUnits(units);
+ run.addProperty(timeSeries);
+ }
+ timeSeries->addValue(time, it->second);
+ it++;
+ }
+}
+//----------------------------------------------------------------------------------------------
+/// Create output workspace
+void LoadDNSSCD::fillOutputWorkspace(double wavelength) {
+
+ // dimensions
+ std::vector<std::string> vec_ID(3);
+ vec_ID[0] = "H";
+ vec_ID[1] = "K";
+ vec_ID[2] = "L";
+
+ std::vector<std::string> dimensionNames(3);
+ dimensionNames[0] = "H";
+ dimensionNames[1] = "K";
+ dimensionNames[2] = "L";
+
+ Mantid::Kernel::SpecialCoordinateSystem coordinateSystem =
+ Mantid::Kernel::HKL;
+
+ double a, b, c, alpha, beta, gamma;
+ a = getProperty("a");
+ b = getProperty("b");
+ c = getProperty("c");
+ alpha = getProperty("alpha");
+ beta = getProperty("beta");
+ gamma = getProperty("gamma");
+ std::vector<double> u = getProperty("hkl1");
+ std::vector<double> v = getProperty("hkl2");
+
+ // 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};
+
+ // Get MDFrame of HKL type with RLU
+ auto unitFactory = makeMDUnitFactoryChain();
+ auto unit = unitFactory->create(Units::Symbol::RLU.ascii());
+ Mantid::Geometry::HKL frame(unit);
+
+ // add dimensions
+ for (size_t i = 0; i < m_nDims; ++i) {
+ std::string id = vec_ID[i];
+ std::string name = dimensionNames[i];
+ m_OutWS->addDimension(
+ Geometry::MDHistoDimension_sptr(new Geometry::MDHistoDimension(
+ id, name, frame, static_cast<coord_t>(extentMins[i]),
+ static_cast<coord_t>(extentMaxs[i]), 5)));
+ }
+
+ // Set coordinate system
+ m_OutWS->setCoordinateSystem(coordinateSystem);
+
+ // calculate RUB matrix
+ Mantid::Geometry::OrientedLattice o;
+ o = Mantid::Geometry::OrientedLattice(a, b, c, alpha, beta, gamma);
+ o.setUFromVectors(Mantid::Kernel::V3D(u[0], u[1], u[2]),
+ Mantid::Kernel::V3D(v[0], v[1], v[2]));
+
+ double omega_offset = getProperty("OmegaOffset");
+ omega_offset *= -1.0*deg2rad;
+ DblMatrix rotm(3,3);
+ rotm[0][0] = std::cos(omega_offset);
+ rotm[0][1] = 0.0;
+ rotm[0][2] = std::sin(omega_offset);
+ rotm[1][0] = 0.0;
+ rotm[1][1] = 1.0;
+ rotm[1][2] = 0.0;
+ rotm[2][0] = -std::sin(omega_offset);
+ rotm[2][1] = 0.0;
+ rotm[2][2] = std::cos(omega_offset);
+
+ DblMatrix ub(o.getUB());
+ ub = rotm * ub;
+ o.setUB(ub);
+ DblMatrix ub_inv(ub);
+ // invert the UB matrix
+ 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);
+
+ // 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);
+
+ // scattering angle limits
+ std::vector<double> tth_limits = getProperty("2ThetaLimits");
+ double theta_min = tth_limits[0]*deg2rad/2.0;
+ double theta_max = tth_limits[1]*deg2rad/2.0;
+
+ // Go though each element of m_data to convert to MDEvent
+ for (ExpData ds: m_data) {
+ uint16_t runnumber = 1;
+ signal_t norm_signal(ds.norm);
+ signal_t norm_error = std::sqrt(m_normfactor*norm_signal);
+ double k = 2.0/ds.wavelength;
+ for (size_t i=0; i< ds.detID.size(); i++){
+ signal_t signal(ds.signal[i]);
+ signal_t error = std::sqrt(signal);
+ detid_t detid(ds.detID[i]);
+ double theta = 0.5*(ds.detID[i]*5.0 - ds.deterota)*deg2rad;
+ 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>(runnumber), detid, millerindex.data());
+
+ norm_inserter.insertMDEvent(
+ static_cast<float>(norm_signal), static_cast<float>(norm_error * norm_error),
+ static_cast<uint16_t>(runnumber), detid, millerindex.data());
+ }
+
+ }
+
+ }
+ setProperty("NormalizationWorkspace", normWS);
+
+}
+
+
+void LoadDNSSCD::read_data(const std::string fname,
+ std::map<std::string, std::string> &str_metadata,
+ std::map<std::string, double> &num_metadata) {
+ std::ifstream file (fname);
+ std::string line;
+ std::string::size_type n;
+ std::string s;
+ std::regex reg1("^#\\s+(\\w+):(.*)");
+ std::regex reg2("^#\\s+((\\w+\\s)+)\\s+(-?\\d+(,\\d+)*(\\.\\d+(e\\d+)?)?)");
+ std::smatch match;
+ getline(file, line);
+ n = line.find("DNS");
+ if (n == std::string::npos) {
+ throw std::invalid_argument("Not a DNS file");
+ }
+ // get file save time
+ Poco::File pfile(fname);
+ Poco::DateTime lastModified = pfile.getLastModified();
+ std::string wtime(Poco::DateTimeFormatter::format(lastModified, "%Y-%m-%dT%H:%M:%S"));
+ str_metadata.insert(std::make_pair("file_save_time", wtime));
+
+ // get file basename
+ Poco::Path p(fname);
+ str_metadata.insert(std::make_pair("run_number", p.getBaseName()));
+
+ // parse metadata
+ while(getline(file, line)){
+ n = line.find("Lambda");
+ if (n != std::string::npos) {
+ std::regex re("[\\s]+");
+ s = line.substr(5);
+ std::sregex_token_iterator it(s.begin(), s.end(), re, -1);
+ std::sregex_token_iterator reg_end;
+ getline(file, line);
+ std::string s2 = line.substr(2);
+ std::sregex_token_iterator it2(s2.begin(), s2.end(), re, -1);
+ for (; (it != reg_end) && (it2 != reg_end); ++it) {
+ std::string token (it->str());
+ if (token.find_first_not_of(' ') == std::string::npos) {
+ ++it2;
+ continue;
+ }
+ if (token == "Mono") {
+ str_metadata.insert(std::make_pair(token, it2->str()));
+ } else {
+ num_metadata.insert(std::make_pair(token, std::stod(it2->str())));
+ }
+ ++it2;
+ }
+ }
+ // parse start and stop time
+ n = line.find("start");
+ if (n != std::string::npos) {
+ str_metadata.insert(std::make_pair("start_time", parseTime(line)));
+ getline(file, line);
+ str_metadata.insert(std::make_pair("stop_time", parseTime(line)));
+ getline(file, line);
+ }
+ if (std::regex_search(line, match, reg1) && match.size() > 2) {
+ str_metadata.insert(std::make_pair(match.str(1), match.str(2)));
+ }
+ if (std::regex_search(line, match, reg2) && match.size() > 2) {
+ s = match.str(1);
+ s.erase(std::find_if_not(s.rbegin(), s.rend(), ::isspace).base(), s.end());
+ num_metadata.insert(std::make_pair(s, std::stod(match.str(3))));
+ }
+ n = line.find("DATA");
+ if (n != std::string::npos) {
+ break;
+ }
+ }
+
+ // 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.");
+
+ 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];
+
+ // 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);
+ }
+ // DNS PA detector bank has only 24 detectors
+ ds.detID.resize(24);
+ ds.signal.resize(24);
+ m_data.push_back(ds);
+}
+
+} // namespace MDAlgorithms
+} // namespace Mantid
+
+
+
diff --git a/Framework/MDAlgorithms/test/LoadDNSSCDTest.h b/Framework/MDAlgorithms/test/LoadDNSSCDTest.h
new file mode 100644
index 0000000000000000000000000000000000000000..d266b53873274ce771442a5ee71207f4bc5eaea9
--- /dev/null
+++ b/Framework/MDAlgorithms/test/LoadDNSSCDTest.h
@@ -0,0 +1,665 @@
+#ifndef MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
+#define MANTID_MDALGORITHMS_LOADDNSSCDEWTEST_H_
+
+#include "MantidKernel/Strings.h"
+#include "MantidAPI/AnalysisDataService.h"
+#include "MantidAPI/IMDIterator.h"
+#include "MantidAPI/IMDEventWorkspace.h"
+#include "MantidDataObjects/MDBox.h"
+#include "MantidDataObjects/MDGridBox.h"
+#include "MantidDataObjects/MDEventFactory.h"
+#include "MantidDataObjects/MDEventWorkspace.h"
+#include "MantidAPI/BoxController.h"
+#include "MantidGeometry/MDGeometry/HKL.h"
+#include "MantidAPI/ExperimentInfo.h"
+#include "MantidAPI/Run.h"
+#include "MantidKernel/TimeSeriesProperty.h"
+#include "MantidAPI/ITableWorkspace.h"
+#include "MantidAPI/WorkspaceFactory.h"
+#include "MantidMDAlgorithms/LoadDNSSCD.h"
+#include <cxxtest/TestSuite.h>
+
+using namespace Mantid;
+using namespace Mantid::Kernel;
+using namespace Mantid::API;
+using namespace Mantid::DataObjects;
+using namespace Mantid::MDAlgorithms;
+
+class LoadDNSSCDTest : 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 LoadDNSSCDTest *createSuite() { return new LoadDNSSCDTest(); }
+ static void destroySuite( LoadDNSSCDTest *suite ) { delete suite; }
+
+ LoadDNSSCDTest() : m_fileName("dn134011vana.d_dat") {}
+
+ void test_Init()
+ {
+ LoadDNSSCD alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize());
+ TS_ASSERT(alg.isInitialized());
+ }
+
+ void test_Name() {
+ LoadDNSSCD alg;
+ TS_ASSERT_EQUALS(alg.name(), "LoadDNSSCD");
+ }
+
+ void test_Metadata() {
+ // test whether the metadata were loaded correctly
+
+ 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", m_fileName));
+ 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.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->getNumExperimentInfo(), 1);
+
+ ExperimentInfo_sptr expinfo = iws->getExperimentInfo(0);
+ auto &run = expinfo->run();
+ double d(1e-05);
+ TS_ASSERT_DELTA(run.getPropertyValueAsType<double>("wavelength"), 4.2, d);
+ TimeSeriesProperty<double> *p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Lambda"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.42, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Energy"));
+ TS_ASSERT_DELTA(p->firstValue(), 4.640, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Speed"));
+ TS_ASSERT_DELTA(p->firstValue(), 949.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("DeteRota"));
+ TS_ASSERT_DELTA(p->firstValue(), -8.54, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Huber"));
+ TS_ASSERT_DELTA(p->firstValue(), 79.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Flipper_precession"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.970, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Flipper_z_compensation"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.400, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_a"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_b"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.110, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_c"));
+ TS_ASSERT_DELTA(p->firstValue(), -0.500, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("C_z"));
+ TS_ASSERT_DELTA(p->firstValue(), 0.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("T1"));
+ TS_ASSERT_DELTA(p->firstValue(), 295.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("T2"));
+ TS_ASSERT_DELTA(p->firstValue(), 296.477, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("sample_setpoint"));
+ TS_ASSERT_DELTA(p->firstValue(), 295.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Timer"));
+ TS_ASSERT_DELTA(p->firstValue(), 600.0, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("Monitor"));
+ TS_ASSERT_DELTA(p->firstValue(), 8332872, d);
+ p = dynamic_cast<TimeSeriesProperty<double> *>(run.getProperty("TOF channels"));
+ TS_ASSERT_DELTA(p->firstValue(), 1.0, d);
+ TimeSeriesProperty<std::string> *s = dynamic_cast<TimeSeriesProperty<std::string> *>(run.getProperty("start_time"));
+ TS_ASSERT_EQUALS(s->firstValue(), "2013-04-16T16:11:02");
+ s = dynamic_cast<TimeSeriesProperty<std::string> *>(run.getProperty("stop_time"));
+ TS_ASSERT_EQUALS(s->firstValue(), "2013-04-16T16:21:03");
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ void test_DataWSStructure() {
+ 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", m_fileName));
+ 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.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(), 3);
+ TS_ASSERT_EQUALS(iws->getNPoints(), 24);
+ TS_ASSERT_EQUALS(iws->id(), "MDEventWorkspace<MDEvent,3>");
+
+ // 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"};
+ for (auto i=0; i<3; 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);
+ }
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ void test_DataWS() {
+ // test whether the metadata were loaded correctly
+
+ 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", m_fileName));
+ 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", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
+ 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.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 24 points in the data file
+ TS_ASSERT_EQUALS(box->getNPoints(), 24);
+ 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 = {4366, 4366, 1, 0, -0.09776273, -0.09776273, 0.10005156,
+ 31461, 31461, 1, 1, -0.15959044, -0.15959044, 0.14884006,
+ 33314, 33314, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
+ 32369, 32369, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
+ 31851, 31851, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
+ 30221, 30221, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
+ 26267, 26267, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
+ 26788, 26788, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
+ 29729, 29729, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
+ 30188, 30188, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
+ 28116, 28116, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
+ 30277, 30277, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
+ 20231, 20231, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
+ 24538, 24538, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
+ 16416, 16416, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
+ 20225, 20225, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
+ 19957, 19957, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
+ 19570, 19570, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
+ 20743, 20743, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
+ 22758, 22758, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
+ 23001, 23001, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
+ 21836, 21836, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
+ 23877, 23877, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
+ 13340, 13340, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
+ double d(1.0e-06);
+ for (auto i=0; i<168; i++){
+ TS_ASSERT_DELTA(events[i], ref[i], d);
+ }
+
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ void test_NormWSStructure() {
+ 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", m_fileName));
+ 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.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ IMDEventWorkspace_sptr nws;
+ TS_ASSERT_THROWS_NOTHING(
+ nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ normWSName));
+ TS_ASSERT(nws);
+
+ TS_ASSERT_EQUALS(nws->getNumDims(), 3);
+ TS_ASSERT_EQUALS(nws->getNPoints(), 24);
+ TS_ASSERT_EQUALS(nws->id(), "MDEventWorkspace<MDEvent,3>");
+
+ // test box controller
+ BoxController_sptr bc = nws->getBoxController();
+ TS_ASSERT(bc);
+ TS_ASSERT_EQUALS(bc->getNumMDBoxes().size(), 6);
+
+ // test dimensions
+ std::vector<std::string> v = {"H", "K", "L"};
+ for (auto i=0; i<3; 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);
+ }
+ AnalysisDataService::Instance().remove(normWSName);
+ }
+
+ void test_NormMonitor() {
+ // test whether the metadata were loaded correctly
+
+ 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", m_fileName));
+ 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", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
+ 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.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ IMDEventWorkspace_sptr nws;
+ TS_ASSERT_THROWS_NOTHING(
+ nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ normWSName));
+ TS_ASSERT(nws);
+
+ std::vector<API::IMDNode *> boxes(0, NULL);
+ nws->getBoxes(boxes, 10000, false);
+ TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
+ API::IMDNode *box = boxes[0];
+ // there are 24 points in the data file
+ TS_ASSERT_EQUALS(box->getNPoints(), 24);
+ 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, 1, 0, -0.09776273, -0.09776273, 0.10005156,
+ 8332872, 8332872, 1, 1, -0.15959044, -0.15959044, 0.14884006,
+ 8332872, 8332872, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
+ 8332872, 8332872, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
+ 8332872, 8332872, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
+ 8332872, 8332872, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
+ 8332872, 8332872, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
+ 8332872, 8332872, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
+ 8332872, 8332872, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
+ 8332872, 8332872, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
+ 8332872, 8332872, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
+ 8332872, 8332872, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
+ 8332872, 8332872, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
+ 8332872, 8332872, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
+ 8332872, 8332872, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
+ 8332872, 8332872, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
+ 8332872, 8332872, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
+ 8332872, 8332872, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
+ 8332872, 8332872, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
+ 8332872, 8332872, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
+ 8332872, 8332872, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
+ 8332872, 8332872, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
+ 8332872, 8332872, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
+ 8332872, 8332872, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
+ double d(1.0e-06);
+ for (auto i=0; i<168; i++){
+ TS_ASSERT_DELTA(events[i], ref[i], d);
+ }
+
+ AnalysisDataService::Instance().remove(normWSName);
+ }
+
+ void test_NormTime() {
+ // test whether the metadata were loaded correctly
+
+ 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", m_fileName));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("OutputWorkspace", outWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("NormalizationWorkspace", normWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "time"));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("a", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
+ 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.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ IMDEventWorkspace_sptr nws;
+ TS_ASSERT_THROWS_NOTHING(
+ nws = AnalysisDataService::Instance().retrieveWS<IMDEventWorkspace>(
+ normWSName));
+ TS_ASSERT(nws);
+
+ std::vector<API::IMDNode *> boxes(0, NULL);
+ nws->getBoxes(boxes, 10000, false);
+ TSM_ASSERT_EQUALS("Number of boxes", boxes.size(), 1);
+ API::IMDNode *box = boxes[0];
+ // there are 24 points in the data file
+ TS_ASSERT_EQUALS(box->getNPoints(), 24);
+ 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, 1, 0, -0.09776273, -0.09776273, 0.10005156,
+ 600, 0, 1, 1, -0.15959044, -0.15959044, 0.14884006,
+ 600, 0, 1, 2, -0.224231616093, -0.224231616093, 0.189927174618,
+ 600, 0, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
+ 600, 0, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
+ 600, 0, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
+ 600, 0, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
+ 600, 0, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
+ 600, 0, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
+ 600, 0, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652,
+ 600, 0, 1, 10, -0.78089653758, -0.78089653758, 0.217039697581,
+ 600, 0, 1, 11, -0.847435189645, -0.847435189645, 0.182341737639,
+ 600, 0, 1, 12, -0.911552400429, -0.911552400429, 0.13968742025,
+ 600, 0, 1, 13, -0.972760199244, -0.972760199244, 0.089401370527,
+ 600, 0, 1, 14, -1.03059275778, -1.03059275778, 0.0318662956709,
+ 600, 0, 1, 15, -1.08460993535, -1.08460993535, -0.0324799276578,
+ 600, 0, 1, 16, -1.13440062862, -1.13440062862, -0.103147585846,
+ 600, 0, 1, 17, -1.17958590034, -1.17958590034, -0.179598855345,
+ 600, 0, 1, 18, -1.21982186332, -1.21982186332, -0.261251895832,
+ 600, 0, 1, 19, -1.25480229757, -1.25480229757, -0.347485278364,
+ 600, 0, 1, 20, -1.28426098088, -1.28426098088, -0.437642714831,
+ 600, 0, 1, 21, -1.30797371487, -1.30797371487, -0.531038052704,
+ 600, 0, 1, 22, -1.32576003133, -1.32576003133, -0.626960497068,
+ 600, 0, 1, 23, -1.33748456564, -1.33748456564, -0.724680020201};
+ double d(1.0e-06);
+ for (auto i=0; i<168; i++){
+ TS_ASSERT_DELTA(events[i], ref[i], d);
+ }
+
+ AnalysisDataService::Instance().remove(normWSName);
+ }
+
+ void test_SaveHuber() {
+ std::string outWSName("LoadDNSSCDTest_OutputWS");
+ std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+ std::string tWSName("LoadDNSSCDTest_Huber");
+
+ LoadDNSSCD alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize());
+ TS_ASSERT(alg.isInitialized());
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
+ 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("SaveHuberTo", tWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.execute(););
+ TS_ASSERT(alg.isExecuted());
+
+ // Retrieve the workspace from data service.
+ ITableWorkspace_sptr tws;
+ TS_ASSERT_THROWS_NOTHING(
+ tws = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(tWSName));
+ TS_ASSERT(tws);
+
+ // check that workspace has 1 row and 1 column
+ TS_ASSERT_EQUALS(tws->rowCount(), 1);
+ TS_ASSERT_EQUALS(tws->columnCount(), 1);
+ std::vector<std::string> columnNames = {"Huber(degrees)"};
+ TS_ASSERT_EQUALS(tws->getColumnNames(), columnNames);
+
+ // test the value
+ TS_ASSERT_DELTA(tws->cell<double>(0, 0), 79.0, 1.0e-06);
+ AnalysisDataService::Instance().remove(tWSName);
+ }
+
+ void test_LoadHuber() {
+ std::string outWSName("LoadDNSSCDTest_OutputWS");
+ std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+ std::string tWSName2("LoadDNSSCDTest_Huber_save");
+ std::string tWSName1("LoadDNSSCDTest_Huber_load");
+
+ // create a test table workspace
+ ITableWorkspace_sptr huberWS = WorkspaceFactory::Instance().createTable("TableWorkspace");
+ huberWS->addColumn("double", "Huber(degrees)");
+ const std::vector<double> vals = {77.0, 92.0, 122.0};
+ auto n = vals.size();
+ for (size_t i=0; i< n; i++) {
+ huberWS->appendRow();
+ huberWS->cell<double>(i, 0) = vals[i];
+ }
+ AnalysisDataService::Instance().add(tWSName1, huberWS);
+
+ // run the algorithm
+ LoadDNSSCD alg;
+ TS_ASSERT_THROWS_NOTHING(alg.initialize());
+ TS_ASSERT(alg.isInitialized());
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("Filenames", m_fileName));
+ 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("LoadHuberFrom", tWSName1));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("SaveHuberTo", tWSName2));
+ 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(), 3);
+ // data should be replicated for each huber value
+ TS_ASSERT_EQUALS(iws->getNPoints(), 24*n);
+
+ // Retrieve the table workspace from data service.
+ ITableWorkspace_sptr tws;
+ TS_ASSERT_THROWS_NOTHING(
+ tws = AnalysisDataService::Instance().retrieveWS<ITableWorkspace>(tWSName2));
+ TS_ASSERT(tws);
+
+ // check that workspace has 1 row and 1 column
+ TS_ASSERT_EQUALS(tws->rowCount(), n);
+ TS_ASSERT_EQUALS(tws->columnCount(), 1);
+ std::vector<std::string> columnNames = {"Huber(degrees)"};
+ TS_ASSERT_EQUALS(tws->getColumnNames(), columnNames);
+
+ // test the values
+ for (size_t i=0; i<n; i++)
+ TS_ASSERT_DELTA(tws->cell<double>(i, 0), vals[i], 1.0e-06);
+ AnalysisDataService::Instance().remove(tWSName1);
+ AnalysisDataService::Instance().remove(tWSName2);
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ void test_2ThetaLimits() {
+ // test whether the scattering angle limits work correctly
+
+ 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", m_fileName));
+ 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", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("b", 6.84));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("c", 4.77));
+ 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("2ThetaLimits", "20.0,55.0"));
+ 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(), 7);
+ 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, 1, 3, -0.291194311172, -0.291194311172, 0.223000198347,
+ 31851, 31851, 1, 4, -0.359968893923, -0.359968893923, 0.247807429194,
+ 30221, 30221, 1, 5, -0.430031948245, -0.430031948245, 0.264160069153,
+ 26267, 26267, 1, 6, -0.500850251989, -0.500850251989, 0.271933664761,
+ 26788, 26788, 1, 7, -0.571884835101, -0.571884835101, 0.27106905426,
+ 29729, 29729, 1, 8, -0.642595081514, -0.642595081514, 0.26157281786,
+ 30188, 30188, 1, 9, -0.712442843555, -0.712442843555, 0.243517227652};
+ double d(1.0e-06);
+ for (auto i=0; i<49; i++){
+ TS_ASSERT_DELTA(events[i], 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(), 7);
+
+ AnalysisDataService::Instance().remove(normWSName);
+ }
+
+ void test_Load2() {
+ // algorithm should load one file and skip the TOF file
+
+ 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("OutputWorkspace", outWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("NormalizationWorkspace", normWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+
+ // algorithm should throw only if no valid files is provided
+ 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(), 3);
+ TS_ASSERT_EQUALS(iws->getNPoints(), 24);
+ AnalysisDataService::Instance().remove(outWSName);
+ }
+
+ //-------------------- Test failure --------------------------------------
+ void test_failTOF() {
+ // algorithm does not load TOF files
+
+ std::string outWSName("LoadDNSSCDTest_OutputWS");
+ std::string normWSName("LoadDNSSCDTest_OutputWS_norm");
+
+ 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("OutputWorkspace", outWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setPropertyValue("NormalizationWorkspace", normWSName));
+ TS_ASSERT_THROWS_NOTHING(alg.setProperty("Normalization", "monitor"));
+
+ // algorithm should throw if no valid files is provided
+ TS_ASSERT_THROWS(alg.execute(), std::runtime_error);
+ TS_ASSERT(!alg.isExecuted());
+ }
+
+private:
+ std::string m_fileName;
+};
+
+
+#endif /* MANTID_MDALGORITHMS_LOADDNSSCDEWEST_H_ */