AlignAndFocusPowder.h 4.76 KB
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2008 ISIS Rutherford Appleton Laboratory UKRI,
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//   NScD Oak Ridge National Laboratory, European Spallation Source,
//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
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// SPDX - License - Identifier: GPL - 3.0 +
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#pragma once
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#include "MantidAPI/DataProcessorAlgorithm.h"
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#include "MantidAPI/MatrixWorkspace_fwd.h"
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#include "MantidDataObjects/EventWorkspace.h"
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#include "MantidDataObjects/GroupingWorkspace.h"
#include "MantidDataObjects/MaskWorkspace.h"
#include "MantidDataObjects/OffsetsWorkspace.h"
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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.

The input workspace is
1) Converted to d-spacing units
2) Rebinned to a common set of bins
3) The spectra are grouped according to the grouping file.

    Required Properties:
<UL>
<LI> InputWorkspace - The name of the 2D Workspace to take as input </LI>
<LI> OutputWorkspace - The name of the 2D workspace in which to store the result
</LI>
</UL>


@author Vickie Lynch, SNS
@date 07/16/2012
*/
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class DLLExport AlignAndFocusPowder
    : public API::DistributedDataProcessorAlgorithm {
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public:
  /// Algorithm's name for identification overriding a virtual method
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  const std::string name() const override { return "AlignAndFocusPowder"; }

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  /// Algorithm's version for identification overriding a virtual method
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  int version() const override { return 1; }
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  const std::vector<std::string> seeAlso() const override {
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    return {"AlignAndFocusPowderFromFiles"};
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  }
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  /// Algorithm's category for identification overriding a virtual method
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  const std::string category() const override {
    return "Workflow\\Diffraction";
  }

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  /// Summary of algorithms purpose
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  const std::string summary() const override {
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    return "Algorithm to focus powder diffraction data into a number of "
           "histograms "
           "according to a grouping scheme defined in a CalFile.";
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  }

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  std::map<std::string, std::string> validateInputs() override;

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private:
  // Overridden Algorithm methods
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  void init() override;
  void exec() override;
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  void loadCalFile(const std::string &calFilename,
                   const std::string &groupFilename);
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  API::MatrixWorkspace_sptr rebin(API::MatrixWorkspace_sptr matrixws);
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  API::MatrixWorkspace_sptr rebinRagged(API::MatrixWorkspace_sptr matrixws);
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  API::MatrixWorkspace_sptr
  conjoinWorkspaces(const API::MatrixWorkspace_sptr &ws1,
                    const API::MatrixWorkspace_sptr &ws2, size_t offset);
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  /// 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,
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                                         const std::string &target);
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  /// Call edit instrument geometry
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  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);
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  void convertOffsetsToCal(DataObjects::OffsetsWorkspace_sptr &offsetsWS);
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  double getVecPropertyFromPmOrSelf(const std::string &name,
                                    std::vector<double> &avec);
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  API::MatrixWorkspace_sptr m_inputW;
  API::MatrixWorkspace_sptr m_outputW;
  DataObjects::EventWorkspace_sptr m_inputEW;
  DataObjects::EventWorkspace_sptr m_outputEW;
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  API::ITableWorkspace_sptr m_calibrationWS;
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  DataObjects::MaskWorkspace_sptr m_maskWS;
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  DataObjects::GroupingWorkspace_sptr m_groupWS;
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  double m_l1{0.0};
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  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;
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  int m_resampleX{0};
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  std::vector<double> m_dmins;
  std::vector<double> m_dmaxs;
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  std::vector<double> m_delta;
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  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};
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  void doSortEvents(const Mantid::API::Workspace_sptr &ws);
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  /// 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
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  bool m_processLowResTOF{false};
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  /// Offset to low resolution TOF spectra
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  size_t m_lowResSpecOffset{0};
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  std::unique_ptr<API::Progress> m_progress = nullptr; ///< Progress reporting
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};

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} // namespace WorkflowAlgorithms
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} // namespace Mantid