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AlignAndFocusPowder.h
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AlignAndFocusPowder.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2008 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/DataProcessorAlgorithm.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidDataObjects/EventWorkspace.h"
#include "MantidDataObjects/GroupingWorkspace.h"
#include "MantidDataObjects/MaskWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
namespace Mantid {
namespace Kernel {
class PropertyManager;
}
namespace WorkflowAlgorithms {
/**
This is a parent algorithm that uses several different child algorithms to
perform it's task.
Takes a workspace as input and the filename of a grouping file of a suitable
format.
*/
class DLLExport AlignAndFocusPowder : public API::DistributedDataProcessorAlgorithm {
public:
/// Algorithm's name for identification overriding a virtual method
const std::string name() const override { return "AlignAndFocusPowder"; }
/// Algorithm's version for identification overriding a virtual method
int version() const override { return 1; }
const std::vector<std::string> seeAlso() const override { return {"AlignAndFocusPowderFromFiles"}; }
/// Algorithm's category for identification overriding a virtual method
const std::string category() const override { return "Workflow\\Diffraction"; }
/// Summary of algorithms purpose
const std::string summary() const override {
return "Algorithm to focus powder diffraction data into a number of "
"histograms "
"according to a grouping scheme defined in a CalFile.";
}
std::map<std::string, std::string> validateInputs() override;
private:
// Overridden Algorithm methods
void init() override;
void exec() override;
void loadCalFile(const std::string &calFilename, const std::string &groupFilename);
API::MatrixWorkspace_sptr rebin(API::MatrixWorkspace_sptr matrixws);
API::MatrixWorkspace_sptr rebinRagged(API::MatrixWorkspace_sptr matrixws, const bool inDspace);
API::MatrixWorkspace_sptr conjoinWorkspaces(const API::MatrixWorkspace_sptr &ws1,
const API::MatrixWorkspace_sptr &ws2, size_t offset);
/// Call diffraction focus to a matrix workspace.
API::MatrixWorkspace_sptr diffractionFocus(API::MatrixWorkspace_sptr ws);
/// Convert units
API::MatrixWorkspace_sptr convertUnits(API::MatrixWorkspace_sptr matrixws, const std::string &target);
/// Filter out absorption resonances
API::MatrixWorkspace_sptr filterResonances(API::MatrixWorkspace_sptr matrixws);
/// Call edit instrument geometry
API::MatrixWorkspace_sptr editInstrument(API::MatrixWorkspace_sptr ws, const std::vector<double> &polars,
const std::vector<specnum_t> &specids, const std::vector<double> &l2s,
const std::vector<double> &phis);
void convertOffsetsToCal(DataObjects::OffsetsWorkspace_sptr &offsetsWS);
double getVecPropertyFromPmOrSelf(const std::string &name, std::vector<double> &avec);
API::MatrixWorkspace_sptr m_inputW;
API::MatrixWorkspace_sptr m_outputW;
DataObjects::EventWorkspace_sptr m_inputEW;
DataObjects::EventWorkspace_sptr m_outputEW;
API::ITableWorkspace_sptr m_calibrationWS;
DataObjects::MaskWorkspace_sptr m_maskWS;
DataObjects::GroupingWorkspace_sptr m_groupWS;
double m_l1{0.0};
std::vector<int32_t> specids;
std::vector<double> l2s;
std::vector<double> tths;
std::vector<double> phis;
std::string m_instName;
std::vector<double> m_params;
int m_resampleX{0};
std::vector<double> m_dmins;
std::vector<double> m_dmaxs;
std::vector<double> m_delta_ragged;
std::vector<double> m_resonanceLower;
std::vector<double> m_resonanceUpper;
bool dspace{false};
double xmin{0.0};
double xmax{0.0};
double LRef{0.0};
double DIFCref{0.0};
double minwl{0.0};
double maxwl{0.0};
double tmin{0.0};
double tmax{0.0};
bool m_preserveEvents{false};
void doSortEvents(const Mantid::API::Workspace_sptr &ws);
/// Low resolution TOF matrix workspace
API::MatrixWorkspace_sptr m_lowResW;
/// Low resolution TOF event workspace
DataObjects::EventWorkspace_sptr m_lowResEW;
/// Flag to process low resolution workspace
bool m_processLowResTOF{false};
/// Offset to low resolution TOF spectra
size_t m_lowResSpecOffset{0};
std::unique_ptr<API::Progress> m_progress = nullptr; ///< Progress reporting
};
} // namespace WorkflowAlgorithms
} // namespace Mantid