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SetupEQSANSReduction.cpp
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SetupEQSANSReduction.cpp
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//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidWorkflowAlgorithms/SetupEQSANSReduction.h"
#include "MantidKernel/BoundedValidator.h"
#include "MantidKernel/ListValidator.h"
#include "MantidKernel/RebinParamsValidator.h"
#include "MantidKernel/EnabledWhenProperty.h"
#include "MantidKernel/VisibleWhenProperty.h"
#include "MantidAPI/FileProperty.h"
#include "MantidKernel/ArrayProperty.h"
#include "MantidAPI/AlgorithmProperty.h"
#include "MantidKernel/PropertyManagerDataService.h"
#include "MantidKernel/PropertyManager.h"
#include "Poco/NumberFormatter.h"
namespace Mantid {
namespace WorkflowAlgorithms {
// Register the algorithm into the AlgorithmFactory
DECLARE_ALGORITHM(SetupEQSANSReduction)
using namespace Kernel;
using namespace API;
using namespace Geometry;
void SetupEQSANSReduction::init() {
// Load options
std::string load_grp = "Load Options";
declareProperty("UseConfigTOFCuts", false,
"If true, the edges of the TOF distribution will be cut "
"according to the configuration file");
declareProperty("LowTOFCut", 0.0, "TOF value below which events will not be "
"loaded into the workspace at load-time");
declareProperty("HighTOFCut", 0.0, "TOF value above which events will not be "
"loaded into the workspace at load-time");
declareProperty("WavelengthStep", 0.1, "Wavelength steps to be used when "
"rebinning the data before performing "
"the reduction");
declareProperty("UseConfigMask", false, "If true, the masking information "
"found in the configuration file "
"will be used");
declareProperty("UseConfig", true,
"If true, the best configuration file found will be used");
declareProperty("CorrectForFlightPath", false,
"If true, the TOF will be modified for the true flight path "
"from the sample to the detector pixel");
declareProperty("SkipTOFCorrection", false,
"If true, the EQSANS TOF correction will be skipped");
declareProperty("PreserveEvents", false,
"If true, the output workspace will be an event workspace");
declareProperty(
"SampleDetectorDistance", EMPTY_DBL(),
"Sample to detector distance to use (overrides meta data), in mm");
declareProperty("SampleDetectorDistanceOffset", EMPTY_DBL(),
"Offset to the sample to detector distance (use only when "
"using the distance found in the meta data), in mm");
declareProperty(
"SolidAngleCorrection", true,
"If true, the solid angle correction will be applied to the data");
declareProperty(
"DetectorTubes", false,
"If true, the solid angle correction for tube detectors will be applied");
// -- Define group --
setPropertyGroup("UseConfigTOFCuts", load_grp);
setPropertyGroup("LowTOFCut", load_grp);
setPropertyGroup("HighTOFCut", load_grp);
setPropertyGroup("WavelengthStep", load_grp);
setPropertyGroup("UseConfigMask", load_grp);
setPropertyGroup("UseConfig", load_grp);
setPropertyGroup("CorrectForFlightPath", load_grp);
setPropertyGroup("SkipTOFCorrection", load_grp);
setPropertyGroup("PreserveEvents", load_grp);
setPropertyGroup("SampleDetectorDistance", load_grp);
setPropertyGroup("SampleDetectorDistanceOffset", load_grp);
setPropertyGroup("SolidAngleCorrection", load_grp);
setPropertyGroup("DetectorTubes", load_grp);
// Beam center
std::string center_grp = "Beam Center";
std::vector<std::string> centerOptions{"None", "Value", "DirectBeam",
"Scattering"};
declareProperty("BeamCenterMethod", "None",
boost::make_shared<StringListValidator>(centerOptions),
"Method for determining the data beam center");
// declareProperty("FindBeamCenter", false, "If True, the beam center will be
// calculated");
declareProperty(
"UseConfigBeam", false,
"If True, the beam center will be taken from the config file");
// Option 1: Set beam center by hand
declareProperty("BeamCenterX", EMPTY_DBL(),
"Position of the beam center, in pixel");
declareProperty("BeamCenterY", EMPTY_DBL(),
"Position of the beam center, in pixel");
setPropertySettings("BeamCenterX",
make_unique<VisibleWhenProperty>("BeamCenterMethod",
IS_EQUAL_TO, "Value"));
setPropertySettings("BeamCenterY",
make_unique<VisibleWhenProperty>("BeamCenterMethod",
IS_EQUAL_TO, "Value"));
// Option 2: Find it (expose properties from FindCenterOfMass)
declareProperty(
make_unique<API::FileProperty>(
"BeamCenterFile", "", API::FileProperty::OptionalLoad, "_event.nxs"),
"The name of the input event Nexus file to load");
setPropertySettings("BeamCenterFile",
make_unique<VisibleWhenProperty>(
"BeamCenterMethod", IS_NOT_EQUAL_TO, "None"));
// declareProperty("Tolerance", EMPTY_DBL(), "Tolerance on the center of mass
// position between each iteration [m]. Default: 0.00125");
auto positiveDouble = boost::make_shared<BoundedValidator<double>>();
positiveDouble->setLower(0);
// declareProperty("UseDirectBeamMethod", true, "If true, the direct beam
// method will be used");
declareProperty(
"BeamRadius", EMPTY_DBL(),
"Radius of the beam area used the exclude the beam when calculating "
"the center of mass of the scattering pattern [pixels]. Default=3.0");
setPropertySettings("BeamRadius",
make_unique<VisibleWhenProperty>(
"BeamCenterMethod", IS_EQUAL_TO, "Scattering"));
// -- Define group --
setPropertyGroup("BeamCenterMethod", center_grp);
setPropertyGroup("UseConfigBeam", center_grp);
setPropertyGroup("BeamCenterX", center_grp);
setPropertyGroup("BeamCenterY", center_grp);
setPropertyGroup("BeamCenterFile", center_grp);
// setPropertyGroup("Tolerance", center_grp);
// setPropertyGroup("UseDirectBeamMethod", center_grp);
setPropertyGroup("BeamRadius", center_grp);
// Normalisation
std::string norm_grp = "Normalisation";
std::vector<std::string> incidentBeamNormOptions;
incidentBeamNormOptions.emplace_back("None");
// The data will be normalised to the monitor counts
incidentBeamNormOptions.emplace_back("Monitor");
// The data will be normalised to the total charge and divided by the beam
// profile
incidentBeamNormOptions.emplace_back("BeamProfileAndCharge");
// The data will be normalised to the total charge only (no beam profile)
incidentBeamNormOptions.emplace_back("Charge");
this->declareProperty(
"Normalisation", "BeamProfileAndCharge",
boost::make_shared<StringListValidator>(incidentBeamNormOptions),
"Options for data normalisation");
declareProperty("LoadMonitors", false,
"If true, the monitor workspace will be loaded");
// declareProperty("NormaliseToBeam", true, "If true, the data will be
// normalised to the total charge and divided by the beam profile");
// declareProperty("NormaliseToMonitor", false, "If true, the data will be
// normalised to the monitor, otherwise the total charge will be used");
declareProperty(
make_unique<API::FileProperty>("MonitorReferenceFile", "",
API::FileProperty::OptionalLoad,
"_event.nxs"),
"The name of the beam monitor reference file used for normalisation");
setPropertyGroup("Normalisation", norm_grp);
setPropertyGroup("LoadMonitors", norm_grp);
setPropertyGroup("MonitorReferenceFile", norm_grp);
// Dark current
declareProperty(
make_unique<API::FileProperty>(
"DarkCurrentFile", "", API::FileProperty::OptionalLoad, "_event.nxs"),
"The name of the input event Nexus file to load as dark current.");
// Sensitivity
std::string eff_grp = "Sensitivity";
declareProperty(
make_unique<API::FileProperty>(
"SensitivityFile", "", API::FileProperty::OptionalLoad, "_event.nxs"),
"Flood field or sensitivity file.");
declareProperty(
"MinEfficiency", EMPTY_DBL(), positiveDouble,
"Minimum efficiency for a pixel to be considered (default: no minimum).");
declareProperty(
"MaxEfficiency", EMPTY_DBL(), positiveDouble,
"Maximum efficiency for a pixel to be considered (default: no maximum).");
declareProperty("UseDefaultDC", true, "If true, the dark current subtracted "
"from the sample data will also be "
"subtracted from the flood field.");
declareProperty(make_unique<API::FileProperty>(
"SensitivityDarkCurrentFile", "",
API::FileProperty::OptionalLoad, "_event.nxs"),
"The name of the input file to load as dark current.");
// - sensitivity beam center
declareProperty("SensitivityBeamCenterMethod", "None",
boost::make_shared<StringListValidator>(centerOptions),
"Method for determining the sensitivity data beam center");
// Option 1: Set beam center by hand
declareProperty("SensitivityBeamCenterX", EMPTY_DBL(),
"Sensitivity beam center location in X [pixels]");
setPropertySettings("SensitivityBeamCenterX",
make_unique<VisibleWhenProperty>(
"SensitivityBeamCenterMethod", IS_EQUAL_TO, "Value"));
declareProperty("SensitivityBeamCenterY", EMPTY_DBL(),
"Sensitivity beam center location in Y [pixels]");
setPropertySettings("SensitivityBeamCenterY",
make_unique<VisibleWhenProperty>(
"SensitivityBeamCenterMethod", IS_EQUAL_TO, "Value"));
// Option 2: Find it (expose properties from FindCenterOfMass)
declareProperty(
make_unique<API::FileProperty>("SensitivityBeamCenterFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"The name of the input data file to load");
setPropertySettings(
"SensitivityBeamCenterFile",
make_unique<VisibleWhenProperty>("SensitivityBeamCenterMethod",
IS_NOT_EQUAL_TO, "None"));
declareProperty(
"SensitivityBeamCenterRadius", EMPTY_DBL(),
"Radius of the beam area used the exclude the beam when calculating "
"the center of mass of the scattering pattern [pixels]. Default=3.0");
setPropertySettings("SensitivityBeamCenterRadius",
make_unique<VisibleWhenProperty>(
"BeamCenterMethod", IS_EQUAL_TO, "Scattering"));
declareProperty("OutputSensitivityWorkspace", "",
"Name to give the sensitivity workspace");
// -- Define group --
setPropertyGroup("SensitivityFile", eff_grp);
setPropertyGroup("MinEfficiency", eff_grp);
setPropertyGroup("MaxEfficiency", eff_grp);
setPropertyGroup("UseDefaultDC", eff_grp);
setPropertyGroup("SensitivityDarkCurrentFile", eff_grp);
setPropertyGroup("SensitivityBeamCenterMethod", eff_grp);
setPropertyGroup("SensitivityBeamCenterX", eff_grp);
setPropertyGroup("SensitivityBeamCenterY", eff_grp);
setPropertyGroup("SensitivityBeamCenterFile", eff_grp);
setPropertyGroup("SensitivityBeamCenterRadius", eff_grp);
setPropertyGroup("OutputSensitivityWorkspace", eff_grp);
// Transmission
std::string trans_grp = "Transmission";
std::vector<std::string> transOptions{"Value", "DirectBeam"};
declareProperty("TransmissionMethod", "Value",
boost::make_shared<StringListValidator>(transOptions),
"Transmission determination method");
// - Transmission value entered by hand
declareProperty("TransmissionValue", EMPTY_DBL(), positiveDouble,
"Transmission value.");
setPropertySettings("TransmissionValue",
make_unique<VisibleWhenProperty>("TransmissionMethod",
IS_EQUAL_TO, "Value"));
declareProperty("TransmissionError", EMPTY_DBL(), positiveDouble,
"Transmission error.");
setPropertySettings("TransmissionError",
make_unique<VisibleWhenProperty>("TransmissionMethod",
IS_EQUAL_TO, "Value"));
// - Direct beam method transmission calculation
declareProperty(
"TransmissionBeamRadius", 3.0,
"Radius of the beam area used to compute the transmission [pixels]");
setPropertySettings("TransmissionBeamRadius",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("TransmissionSampleDataFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"Sample data file for transmission calculation");
setPropertySettings("TransmissionSampleDataFile",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("TransmissionEmptyDataFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"Empty data file for transmission calculation");
setPropertySettings("TransmissionEmptyDataFile",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty("FitFramesTogether", false,
"If true, the two frames will be fit together");
setPropertySettings("FitFramesTogether",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
// - transmission beam center
declareProperty("TransmissionBeamCenterMethod", "None",
boost::make_shared<StringListValidator>(centerOptions),
"Method for determining the transmission data beam center");
setPropertySettings("TransmissionBeamCenterMethod",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
// Option 1: Set beam center by hand
declareProperty("TransmissionBeamCenterX", EMPTY_DBL(),
"Transmission beam center location in X [pixels]");
setPropertySettings("TransmissionBeamCenterX",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty("TransmissionBeamCenterY", EMPTY_DBL(),
"Transmission beam center location in Y [pixels]");
setPropertySettings("TransmissionBeamCenterY",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
// Option 2: Find it (expose properties from FindCenterOfMass)
declareProperty(
make_unique<API::FileProperty>("TransmissionBeamCenterFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"The name of the input data file to load");
setPropertySettings("TransmissionBeamCenterFile",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("TransmissionDarkCurrentFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"The name of the input data file to load as transmission dark current.");
setPropertySettings("TransmissionDarkCurrentFile",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_NOT_EQUAL_TO, "Value"));
declareProperty(
"TransmissionUseSampleDC", true,
"If true, the sample dark current will be used IF a dark current file is"
"not set.");
setPropertySettings("TransmissionUseSampleDC",
make_unique<VisibleWhenProperty>(
"TransmissionMethod", IS_NOT_EQUAL_TO, "Value"));
declareProperty(
"ThetaDependentTransmission", true,
"If true, a theta-dependent transmission correction will be applied.");
// -- Define group --
setPropertyGroup("TransmissionMethod", trans_grp);
setPropertyGroup("TransmissionValue", trans_grp);
setPropertyGroup("TransmissionError", trans_grp);
setPropertyGroup("TransmissionBeamRadius", trans_grp);
setPropertyGroup("TransmissionSampleDataFile", trans_grp);
setPropertyGroup("TransmissionEmptyDataFile", trans_grp);
setPropertyGroup("FitFramesTogether", trans_grp);
setPropertyGroup("TransmissionBeamCenterMethod", trans_grp);
setPropertyGroup("TransmissionBeamCenterX", trans_grp);
setPropertyGroup("TransmissionBeamCenterY", trans_grp);
setPropertyGroup("TransmissionBeamCenterFile", trans_grp);
setPropertyGroup("TransmissionDarkCurrentFile", trans_grp);
setPropertyGroup("TransmissionUseSampleDC", trans_grp);
setPropertyGroup("ThetaDependentTransmission", trans_grp);
// Background options
std::string bck_grp = "Background";
declareProperty("BackgroundFiles", "", "Background data files");
declareProperty("BckTransmissionMethod", "Value",
boost::make_shared<StringListValidator>(transOptions),
"Transmission determination method");
// - Transmission value entered by hand
declareProperty("BckTransmissionValue", EMPTY_DBL(), positiveDouble,
"Transmission value.");
setPropertySettings("BckTransmissionValue",
make_unique<VisibleWhenProperty>("BckTransmissionMethod",
IS_EQUAL_TO, "Value"));
declareProperty("BckTransmissionError", EMPTY_DBL(), positiveDouble,
"Transmission error.");
setPropertySettings("BckTransmissionError",
make_unique<VisibleWhenProperty>("BckTransmissionMethod",
IS_EQUAL_TO, "Value"));
// - Direct beam method transmission calculation
declareProperty(
"BckTransmissionBeamRadius", 3.0,
"Radius of the beam area used to compute the transmission [pixels]");
setPropertySettings("BckTransmissionBeamRadius",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("BckTransmissionSampleDataFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"Sample data file for transmission calculation");
setPropertySettings("BckTransmissionSampleDataFile",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("BckTransmissionEmptyDataFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"Empty data file for transmission calculation");
setPropertySettings("BckTransmissionEmptyDataFile",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty("BckFitFramesTogether", false,
"If true, the two frames will be fit together");
setPropertySettings("BckFitFramesTogether",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
// - transmission beam center
declareProperty("BckTransmissionBeamCenterMethod", "None",
boost::make_shared<StringListValidator>(centerOptions),
"Method for determining the transmission data beam center");
setPropertySettings("BckTransmissionBeamCenterMethod",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
// Option 1: Set beam center by hand
declareProperty("BckTransmissionBeamCenterX", EMPTY_DBL(),
"Transmission beam center location in X [pixels]");
setPropertySettings("BckTransmissionBeamCenterX",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty("BckTransmissionBeamCenterY", EMPTY_DBL(),
"Transmission beam center location in Y [pixels]");
// Option 2: Find it (expose properties from FindCenterOfMass)
setPropertySettings("BckTransmissionBeamCenterY",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("BckTransmissionBeamCenterFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"The name of the input data file to load");
setPropertySettings("BckTransmissionBeamCenterFile",
make_unique<VisibleWhenProperty>(
"BckTransmissionMethod", IS_EQUAL_TO, "DirectBeam"));
declareProperty(
make_unique<API::FileProperty>("BckTransmissionDarkCurrentFile", "",
API::FileProperty::OptionalLoad, ".xml"),
"The name of the input data file to load as background "
"transmission dark current.");
setPropertySettings("BckTransmissionDarkCurrentFile",
make_unique<VisibleWhenProperty>("BckTransmissionMethod",
IS_EQUAL_TO,
"BeamSpreader"));
declareProperty(
"BckThetaDependentTransmission", true,
"If true, a theta-dependent transmission correction will be applied.");
setPropertyGroup("BackgroundFiles", bck_grp);
setPropertyGroup("BckTransmissionMethod", bck_grp);
setPropertyGroup("BckTransmissionValue", bck_grp);
setPropertyGroup("BckTransmissionError", bck_grp);
setPropertyGroup("BckTransmissionBeamRadius", bck_grp);
setPropertyGroup("BckTransmissionSampleDataFile", bck_grp);
setPropertyGroup("BckTransmissionEmptyDataFile", bck_grp);
setPropertyGroup("BckTransmissionBeamCenterMethod", bck_grp);
setPropertyGroup("BckTransmissionBeamCenterX", bck_grp);
setPropertyGroup("BckTransmissionBeamCenterY", bck_grp);
setPropertyGroup("BckTransmissionBeamCenterFile", bck_grp);
setPropertyGroup("BckTransmissionDarkCurrentFile", bck_grp);
setPropertyGroup("BckThetaDependentTransmission", bck_grp);
// Geometry correction
declareProperty("SampleThickness", EMPTY_DBL(), "Sample thickness [cm]");
// Masking
std::string mask_grp = "Mask";
declareProperty(make_unique<ArrayProperty<int>>("MaskedDetectorList"),
"List of detector IDs to be masked");
declareProperty(
make_unique<ArrayProperty<int>>("MaskedEdges"),
"Number of pixels to mask on the edges: X-low, X-high, Y-low, Y-high");
std::vector<std::string> maskOptions{"None", "Front", "Back"};
declareProperty("MaskedSide", "None",
boost::make_shared<StringListValidator>(maskOptions),
"Mask one side of the detector");
setPropertyGroup("MaskedDetectorList", mask_grp);
setPropertyGroup("MaskedEdges", mask_grp);
setPropertyGroup("MaskedSide", mask_grp);
// Absolute scale
std::string abs_scale_grp = "Absolute Scale";
std::vector<std::string> scaleOptions;
scaleOptions.emplace_back("None");
scaleOptions.emplace_back("Value");
scaleOptions.emplace_back("ReferenceData");
declareProperty("AbsoluteScaleMethod", "None",
boost::make_shared<StringListValidator>(scaleOptions),
"Absolute scale correction method");
declareProperty("AbsoluteScalingFactor", 1.0, "Absolute scaling factor");
setPropertySettings("AbsoluteScalingFactor",
make_unique<VisibleWhenProperty>("AbsoluteScaleMethod",
IS_EQUAL_TO, "Value"));
declareProperty(
make_unique<API::FileProperty>("AbsoluteScalingReferenceFilename", "",
API::FileProperty::OptionalLoad, ".xml"));
setPropertySettings("AbsoluteScalingReferenceFilename",
make_unique<VisibleWhenProperty>(
"AbsoluteScaleMethod", IS_EQUAL_TO, "ReferenceData"));
declareProperty(
"AbsoluteScalingBeamDiameter", 0.0,
"Beamstop diameter for computing the absolute scale factor [mm]. "
"Read from file if not supplied.");
setPropertySettings("AbsoluteScalingBeamDiameter",
make_unique<VisibleWhenProperty>(
"AbsoluteScaleMethod", IS_EQUAL_TO, "ReferenceData"));
declareProperty(
"AbsoluteScalingAttenuatorTrans", 1.0,
"Attenuator transmission value for computing the absolute scale factor");
setPropertySettings("AbsoluteScalingAttenuatorTrans",
make_unique<VisibleWhenProperty>(
"AbsoluteScaleMethod", IS_EQUAL_TO, "ReferenceData"));
declareProperty("AbsoluteScalingApplySensitivity", false,
"Apply sensitivity correction to the reference data "
"when computing the absolute scale factor");
setPropertySettings("AbsoluteScalingApplySensitivity",
make_unique<VisibleWhenProperty>(
"AbsoluteScaleMethod", IS_EQUAL_TO, "ReferenceData"));
setPropertyGroup("AbsoluteScaleMethod", abs_scale_grp);
setPropertyGroup("AbsoluteScalingFactor", abs_scale_grp);
setPropertyGroup("AbsoluteScalingReferenceFilename", abs_scale_grp);
setPropertyGroup("AbsoluteScalingBeamDiameter", abs_scale_grp);
setPropertyGroup("AbsoluteScalingAttenuatorTrans", abs_scale_grp);
setPropertyGroup("AbsoluteScalingApplySensitivity", abs_scale_grp);
// I(Q) calculation
std::string iq1d_grp = "I(q) Calculation";
declareProperty("DoAzimuthalAverage", true);
auto positiveInt = boost::make_shared<BoundedValidator<int>>();
positiveInt->setLower(0);
declareProperty("IQNumberOfBins", 100, positiveInt,
"Number of I(q) bins when binning is not specified");
declareProperty("IQLogBinning", false,
"I(q) log binning when binning is not specified");
declareProperty("IQIndependentBinning", true, "If true and frame skipping is "
"used, each frame will have "
"its own binning");
declareProperty(
"IQScaleResults", true,
"If true and frame skipping is used, frame 1 will be scaled to frame 2");
declareProperty("ComputeResolution", false,
"If true the Q resolution will be computed");
declareProperty("SampleApertureDiameter", 10.0,
"Sample aperture diameter [mm]");
declareProperty("Do2DReduction", true);
declareProperty("IQ2DNumberOfBins", 100, positiveInt,
"Number of I(qx,qy) bins.");
// -- Define group --
setPropertyGroup("DoAzimuthalAverage", iq1d_grp);
setPropertyGroup("IQNumberOfBins", iq1d_grp);
setPropertyGroup("IQLogBinning", iq1d_grp);
setPropertyGroup("IQIndependentBinning", iq1d_grp);
setPropertyGroup("IQScaleResults", iq1d_grp);
setPropertyGroup("ComputeResolution", iq1d_grp);
setPropertyGroup("SampleApertureDiameter", iq1d_grp);
setPropertyGroup("Do2DReduction", iq1d_grp);
setPropertyGroup("IQ2DNumberOfBins", iq1d_grp);
// Outputs
declareProperty("ProcessInfo", "", "Additional process information");
declareProperty("OutputDirectory", "",
"Directory to put the output files in");
declareProperty("OutputMessage", "", Direction::Output);
declareProperty("ReductionProperties", "__sans_reduction_properties",
Direction::Input);
}
void SetupEQSANSReduction::exec() {
// Reduction property manager
const std::string reductionManagerName = getProperty("ReductionProperties");
if (reductionManagerName.empty()) {
g_log.error() << "ERROR: Reduction Property Manager name is empty\n";
return;
}
boost::shared_ptr<PropertyManager> reductionManager =
boost::make_shared<PropertyManager>();
PropertyManagerDataService::Instance().addOrReplace(reductionManagerName,
reductionManager);
// Store name of the instrument
reductionManager->declareProperty(
make_unique<PropertyWithValue<std::string>>("InstrumentName", "EQSANS"));
// Store additional (and optional) process information
const std::string processInfo = getProperty("ProcessInfo");
reductionManager->declareProperty(
Kernel::make_unique<PropertyWithValue<std::string>>("ProcessInfo",
processInfo));
// Store the output directory
const std::string outputDirectory = getProperty("OutputDirectory");
reductionManager->declareProperty(
Kernel::make_unique<PropertyWithValue<std::string>>("OutputDirectory",
outputDirectory));
// Store normalization algorithm
const std::string normalization = getProperty("Normalisation");
bool loadMonitors = getProperty("LoadMonitors");
const std::string monitorRefFile = getPropertyValue("MonitorReferenceFile");
// If we normalize to monitor, force the loading of monitor data
IAlgorithm_sptr normAlg = createChildAlgorithm("EQSANSNormalise");
if (boost::contains(normalization, "BeamProfileAndCharge")) {
normAlg->setProperty("NormaliseToBeam", true);
normAlg->setProperty("BeamSpectrumFile", monitorRefFile);
} else if (boost::contains(normalization, "Charge")) {
normAlg->setProperty("NormaliseToBeam", false);
} else if (boost::contains(normalization, "Monitor")) {
loadMonitors = true;
if (monitorRefFile.empty()) {
g_log.error() << "ERROR: normalize-to-monitor was turned ON but no "
"reference data was selected\n";
}
normAlg->setProperty("NormaliseToMonitor", true);
normAlg->setProperty("BeamSpectrumFile", monitorRefFile);
}
normAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto normAlgProp = make_unique<AlgorithmProperty>("NormaliseAlgorithm");
normAlgProp->setValue(normAlg->toString());
reductionManager->declareProperty(std::move(normAlgProp));
// Load algorithm
IAlgorithm_sptr loadAlg = createChildAlgorithm("EQSANSLoad");
const bool useConfigBeam = getProperty("UseConfigBeam");
loadAlg->setProperty("UseConfigBeam", useConfigBeam);
const bool useConfigTOFCuts = getProperty("UseConfigTOFCuts");
loadAlg->setProperty("UseConfigTOFCuts", useConfigTOFCuts);
if (!useConfigTOFCuts) {
const double lowTOFCut = getProperty("LowTOFCut");
const double highTOFCut = getProperty("HighTOFCut");
loadAlg->setProperty("LowTOFCut", lowTOFCut);
loadAlg->setProperty("HighTOFCut", highTOFCut);
}
const bool skipTOFCorrection = getProperty("SkipTOFCorrection");
loadAlg->setProperty("SkipTOFCorrection", skipTOFCorrection);
const bool correctForFlightPath = getProperty("CorrectForFlightPath");
loadAlg->setProperty("CorrectForFlightPath", correctForFlightPath);
const bool preserveEvents = getProperty("PreserveEvents");
loadAlg->setProperty("PreserveEvents", preserveEvents);
loadAlg->setProperty("LoadMonitors", loadMonitors);
const double sdd = getProperty("SampleDetectorDistance");
loadAlg->setProperty("SampleDetectorDistance", sdd);
const double sddOffset = getProperty("SampleDetectorDistanceOffset");
loadAlg->setProperty("SampleDetectorDistanceOffset", sddOffset);
const double wlStep = getProperty("WavelengthStep");
loadAlg->setProperty("WavelengthStep", wlStep);
const bool useConfig = getProperty("UseConfig");
loadAlg->setProperty("UseConfig", useConfig);
const bool useConfigMask = getProperty("UseConfigMask");
loadAlg->setProperty("UseConfigMask", useConfigMask);
auto loadAlgProp = make_unique<AlgorithmProperty>("LoadAlgorithm");
loadAlgProp->setValue(loadAlg->toString());
reductionManager->declareProperty(std::move(loadAlgProp));
// Store dark current algorithm
const std::string darkCurrentFile = getPropertyValue("DarkCurrentFile");
if (!darkCurrentFile.empty()) {
IAlgorithm_sptr darkAlg =
createChildAlgorithm("EQSANSDarkCurrentSubtraction");
darkAlg->setProperty("Filename", darkCurrentFile);
darkAlg->setProperty("OutputDarkCurrentWorkspace", "");
darkAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto dcAlgProp = make_unique<AlgorithmProperty>("DarkCurrentAlgorithm");
dcAlgProp->setValue(darkAlg->toString());
reductionManager->declareProperty(std::move(dcAlgProp));
}
// Store default dark current algorithm
IAlgorithm_sptr darkDefaultAlg =
createChildAlgorithm("EQSANSDarkCurrentSubtraction");
darkDefaultAlg->setProperty("OutputDarkCurrentWorkspace", "");
darkDefaultAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto ddcAlgProp =
make_unique<AlgorithmProperty>("DefaultDarkCurrentAlgorithm");
ddcAlgProp->setValue(darkDefaultAlg->toString());
reductionManager->declareProperty(std::move(ddcAlgProp));
// Solid angle correction
const bool solidAngleCorrection = getProperty("SolidAngleCorrection");
if (solidAngleCorrection) {
const bool detectorTubes = getProperty("DetectorTubes");
IAlgorithm_sptr solidAlg = createChildAlgorithm("SANSSolidAngleCorrection");
solidAlg->setProperty("DetectorTubes", detectorTubes);
auto ssaAlgProp =
make_unique<AlgorithmProperty>("SANSSolidAngleCorrection");
ssaAlgProp->setValue(solidAlg->toString());
reductionManager->declareProperty(std::move(ssaAlgProp));
}
// Beam center
const double beamCenterX = getProperty("BeamCenterX");
const double beamCenterY = getProperty("BeamCenterY");
const std::string centerMethod = getPropertyValue("BeamCenterMethod");
// Beam center option for transmission data
if (boost::iequals(centerMethod, "Value")) {
if (!isEmpty(beamCenterX) && !isEmpty(beamCenterY)) {
reductionManager->declareProperty(make_unique<PropertyWithValue<double>>(
"LatestBeamCenterX", beamCenterX));
reductionManager->declareProperty(make_unique<PropertyWithValue<double>>(
"LatestBeamCenterY", beamCenterY));
}
} else if (!boost::iequals(centerMethod, "None")) {
bool useDirectBeamMethod = true;
if (!boost::iequals(centerMethod, "DirectBeam"))
useDirectBeamMethod = false;
const std::string beamCenterFile = getProperty("BeamCenterFile");
if (!beamCenterFile.empty()) {
const double beamRadius = getProperty("BeamRadius");
IAlgorithm_sptr ctrAlg = createChildAlgorithm("SANSBeamFinder");
ctrAlg->setProperty("Filename", beamCenterFile);
ctrAlg->setProperty("UseDirectBeamMethod", useDirectBeamMethod);
if (!isEmpty(beamRadius))
ctrAlg->setProperty("BeamRadius", beamRadius);
ctrAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto ctrAlgProp =
make_unique<AlgorithmProperty>("SANSBeamFinderAlgorithm");
ctrAlgProp->setValue(ctrAlg->toString());
reductionManager->declareProperty(std::move(ctrAlgProp));
} else {
g_log.error() << "ERROR: Beam center determination was required"
" but no file was provided\n";
}
}
// Sensitivity correction, transmission and background
setupSensitivity(reductionManager);
setupTransmission(reductionManager);
setupBackground(reductionManager);
// Geometry correction
const double thickness = getProperty("SampleThickness");
if (!isEmpty(thickness)) {
IAlgorithm_sptr thickAlg = createChildAlgorithm("NormaliseByThickness");
thickAlg->setProperty("SampleThickness", thickness);
auto geomAlgProp = make_unique<AlgorithmProperty>("GeometryAlgorithm");
geomAlgProp->setValue(thickAlg->toString());
reductionManager->declareProperty(std::move(geomAlgProp));
}
// Mask
const std::string maskDetList = getPropertyValue("MaskedDetectorList");
const std::string maskEdges = getPropertyValue("MaskedEdges");
const std::string maskSide = getProperty("MaskedSide");
IAlgorithm_sptr maskAlg = createChildAlgorithm("SANSMask");
// The following is broken, try PropertyValue
maskAlg->setPropertyValue("Facility", "SNS");
maskAlg->setPropertyValue("MaskedDetectorList", maskDetList);
maskAlg->setPropertyValue("MaskedEdges", maskEdges);
maskAlg->setProperty("MaskedSide", maskSide);
auto maskAlgProp = make_unique<AlgorithmProperty>("MaskAlgorithm");
maskAlgProp->setValue(maskAlg->toString());
reductionManager->declareProperty(std::move(maskAlgProp));
// Absolute scaling
const std::string absScaleMethod = getProperty("AbsoluteScaleMethod");
if (boost::iequals(absScaleMethod, "Value")) {
const double absScaleFactor = getProperty("AbsoluteScalingFactor");
IAlgorithm_sptr absAlg = createChildAlgorithm("SANSAbsoluteScale");
absAlg->setProperty("Method", absScaleMethod);
absAlg->setProperty("ScalingFactor", absScaleFactor);
absAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto absAlgProp = make_unique<AlgorithmProperty>("AbsoluteScaleAlgorithm");
absAlgProp->setValue(absAlg->toString());
reductionManager->declareProperty(std::move(absAlgProp));
} else if (boost::iequals(absScaleMethod, "ReferenceData")) {
const std::string absRefFile =
getPropertyValue("AbsoluteScalingReferenceFilename");
const double beamDiam = getProperty("AbsoluteScalingBeamDiameter");
const double attTrans = getProperty("AbsoluteScalingAttenuatorTrans");
const bool applySensitivity =
getProperty("AbsoluteScalingApplySensitivity");
IAlgorithm_sptr absAlg = createChildAlgorithm("SANSAbsoluteScale");
absAlg->setProperty("Method", absScaleMethod);
absAlg->setProperty("ReferenceDataFilename", absRefFile);
absAlg->setProperty("BeamstopDiameter", beamDiam);
absAlg->setProperty("AttenuatorTransmission", attTrans);
absAlg->setProperty("ApplySensitivity", applySensitivity);
absAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto scaleAlgProp =
make_unique<AlgorithmProperty>("AbsoluteScaleAlgorithm");
scaleAlgProp->setValue(absAlg->toString());
reductionManager->declareProperty(std::move(scaleAlgProp));
}
// Azimuthal averaging
const bool doAveraging = getProperty("DoAzimuthalAverage");
if (doAveraging) {
const std::string nBins = getPropertyValue("IQNumberOfBins");
const bool logBinning = getProperty("IQLogBinning");
const double sampleApert = getProperty("SampleApertureDiameter");
const bool computeResolution = getProperty("ComputeResolution");
const bool indepBinning = getProperty("IQIndependentBinning");
const bool scaleResults = getProperty("IQScaleResults");
IAlgorithm_sptr iqAlg = createChildAlgorithm("EQSANSAzimuthalAverage1D");
iqAlg->setPropertyValue("NumberOfBins", nBins);
iqAlg->setProperty("LogBinning", logBinning);
iqAlg->setProperty("ScaleResults", scaleResults);
iqAlg->setProperty("ComputeResolution", computeResolution);
iqAlg->setProperty("IndependentBinning", indepBinning);
iqAlg->setProperty("SampleApertureDiameter", sampleApert);
iqAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto iqalgProp = make_unique<AlgorithmProperty>("IQAlgorithm");
iqalgProp->setValue(iqAlg->toString());
reductionManager->declareProperty(std::move(iqalgProp));
}
// 2D reduction
const bool do2DReduction = getProperty("Do2DReduction");
if (do2DReduction) {
const std::string n_bins = getPropertyValue("IQ2DNumberOfBins");
IAlgorithm_sptr iqAlg = createChildAlgorithm("EQSANSQ2D");
iqAlg->setPropertyValue("NumberOfBins", n_bins);
auto xyalgProp = make_unique<AlgorithmProperty>("IQXYAlgorithm");
xyalgProp->setValue(iqAlg->toString());
reductionManager->declareProperty(std::move(xyalgProp));
}
setPropertyValue("OutputMessage", "EQSANS reduction options set");
// Save a string representation of this algorithm
auto setupAlgProp = make_unique<AlgorithmProperty>("SetupAlgorithm");
setupAlgProp->setValue(toString());
reductionManager->declareProperty(std::move(setupAlgProp));
}
void SetupEQSANSReduction::setupSensitivity(
boost::shared_ptr<PropertyManager> reductionManager) {
const std::string reductionManagerName = getProperty("ReductionProperties");
const std::string sensitivityFile = getPropertyValue("SensitivityFile");
if (!sensitivityFile.empty()) {
const bool useSampleDC = getProperty("UseDefaultDC");
const std::string sensitivityDarkCurrentFile =
getPropertyValue("SensitivityDarkCurrentFile");
const std::string outputSensitivityWS =
getPropertyValue("OutputSensitivityWorkspace");
const double minEff = getProperty("MinEfficiency");
const double maxEff = getProperty("MaxEfficiency");
const double sensitivityBeamCenterX = getProperty("SensitivityBeamCenterX");
const double sensitivityBeamCenterY = getProperty("SensitivityBeamCenterY");
IAlgorithm_sptr effAlg = createChildAlgorithm("SANSSensitivityCorrection");
effAlg->setProperty("Filename", sensitivityFile);
effAlg->setProperty("UseSampleDC", useSampleDC);
effAlg->setProperty("DarkCurrentFile", sensitivityDarkCurrentFile);
effAlg->setProperty("MinEfficiency", minEff);
effAlg->setProperty("MaxEfficiency", maxEff);
// Beam center option for sensitivity data
const std::string centerMethod =
getPropertyValue("SensitivityBeamCenterMethod");
if (boost::iequals(centerMethod, "Value")) {
if (!isEmpty(sensitivityBeamCenterX) &&
!isEmpty(sensitivityBeamCenterY)) {
effAlg->setProperty("BeamCenterX", sensitivityBeamCenterX);
effAlg->setProperty("BeamCenterY", sensitivityBeamCenterY);
}
} else if (boost::iequals(centerMethod, "DirectBeam") ||
boost::iequals(centerMethod, "Scattering")) {
const std::string beamCenterFile =
getProperty("SensitivityBeamCenterFile");
const double sensitivityBeamRadius =
getProperty("SensitivityBeamCenterRadius");
bool useDirectBeam = boost::iequals(centerMethod, "DirectBeam");
if (!beamCenterFile.empty()) {
IAlgorithm_sptr ctrAlg = createChildAlgorithm("SANSBeamFinder");
ctrAlg->setProperty("Filename", beamCenterFile);
ctrAlg->setProperty("UseDirectBeamMethod", useDirectBeam);
ctrAlg->setProperty("PersistentCorrection", false);
if (!isEmpty(sensitivityBeamRadius))
ctrAlg->setProperty("BeamRadius", sensitivityBeamRadius);
ctrAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto sensAlgProp =
make_unique<AlgorithmProperty>("SensitivityBeamCenterAlgorithm");
sensAlgProp->setValue(ctrAlg->toString());
reductionManager->declareProperty(std::move(sensAlgProp));
} else {
g_log.error()
<< "ERROR: Sensitivity beam center determination was required"
" but no file was provided\n";
}
}
effAlg->setPropertyValue("OutputSensitivityWorkspace", outputSensitivityWS);
effAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto algProp = make_unique<AlgorithmProperty>("SensitivityAlgorithm");
algProp->setValue(effAlg->toString());
reductionManager->declareProperty(std::move(algProp));
}
}
void SetupEQSANSReduction::setupTransmission(
boost::shared_ptr<PropertyManager> reductionManager) {
const std::string reductionManagerName = getProperty("ReductionProperties");
// Transmission options
const bool thetaDependentTrans = getProperty("ThetaDependentTransmission");
const std::string transMethod = getProperty("TransmissionMethod");
const std::string darkCurrent =
getPropertyValue("TransmissionDarkCurrentFile");
const bool useSampleDC = getProperty("TransmissionUseSampleDC");
// Transmission is entered by hand
if (boost::iequals(transMethod, "Value")) {
const double transValue = getProperty("TransmissionValue");
const double transError = getProperty("TransmissionError");
if (!isEmpty(transValue) && !isEmpty(transError)) {
IAlgorithm_sptr transAlg =
createChildAlgorithm("ApplyTransmissionCorrection");
transAlg->setProperty("TransmissionValue", transValue);
transAlg->setProperty("TransmissionError", transError);
transAlg->setProperty("ThetaDependent", thetaDependentTrans);
auto algProp = make_unique<AlgorithmProperty>("TransmissionAlgorithm");
algProp->setValue(transAlg->toString());
reductionManager->declareProperty(std::move(algProp));
} else {
g_log.information(
"SetupEQSANSReduction [TransmissionAlgorithm]:"
"expected transmission/error values and got empty values");
}
}
// Direct beam method for transmission determination
else if (boost::iequals(transMethod, "DirectBeam")) {
const std::string sampleFilename =
getPropertyValue("TransmissionSampleDataFile");
const std::string emptyFilename =
getPropertyValue("TransmissionEmptyDataFile");
const double beamRadius = getProperty("TransmissionBeamRadius");
const bool fitFramesTogether = getProperty("FitFramesTogether");
const double beamX = getProperty("TransmissionBeamCenterX");
const double beamY = getProperty("TransmissionBeamCenterY");
const std::string centerMethod =
getPropertyValue("TransmissionBeamCenterMethod");
IAlgorithm_sptr transAlg =
createChildAlgorithm("EQSANSDirectBeamTransmission");
transAlg->setProperty("FitFramesTogether", fitFramesTogether);
transAlg->setProperty("SampleDataFilename", sampleFilename);
transAlg->setProperty("EmptyDataFilename", emptyFilename);
transAlg->setProperty("BeamRadius", beamRadius);
transAlg->setProperty("DarkCurrentFilename", darkCurrent);
transAlg->setProperty("UseSampleDarkCurrent", useSampleDC);
// Beam center option for transmission data
if (boost::iequals(centerMethod, "Value") && !isEmpty(beamX) &&
!isEmpty(beamY)) {
transAlg->setProperty("BeamCenterX", beamX);
transAlg->setProperty("BeamCenterY", beamY);
} else if (boost::iequals(centerMethod, "DirectBeam")) {
const std::string beamCenterFile =
getProperty("TransmissionBeamCenterFile");
if (!beamCenterFile.empty()) {
IAlgorithm_sptr ctrAlg = createChildAlgorithm("SANSBeamFinder");
ctrAlg->setProperty("Filename", beamCenterFile);
ctrAlg->setProperty("UseDirectBeamMethod", true);
ctrAlg->setProperty("PersistentCorrection", false);
ctrAlg->setPropertyValue("ReductionProperties", reductionManagerName);
auto algProp =
make_unique<AlgorithmProperty>("TransmissionBeamCenterAlgorithm");
algProp->setValue(ctrAlg->toString());
reductionManager->declareProperty(std::move(algProp));
} else {
g_log.error()
<< "ERROR: Transmission beam center determination was required"
" but no file was provided\n";
}
}
transAlg->setProperty("ThetaDependent", thetaDependentTrans);
auto algProp = make_unique<AlgorithmProperty>("TransmissionAlgorithm");
algProp->setValue(transAlg->toString());
reductionManager->declareProperty(std::move(algProp));
}
}