FindPeaksMD.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2018 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/Algorithm.h"
#include "MantidAPI/ExperimentInfo.h"
#include "MantidAPI/IMDEventWorkspace_fwd.h"
#include "MantidAPI/IPeaksWorkspace.h"
#include "MantidAPI/Progress.h"
#include "MantidDataObjects/LeanElasticPeaksWorkspace.h"
#include "MantidDataObjects/MDEventWorkspace.h"
#include "MantidDataObjects/MDHistoWorkspace.h"
#include "MantidDataObjects/PeaksWorkspace.h"
#include "MantidKernel/Matrix.h"
#include "MantidKernel/V3D.h"
#include "MantidMDAlgorithms/DllConfig.h"
 
namespace Mantid {
namespace Geometry {
class InstrumentRayTracer;
}
namespace MDAlgorithms {
 
class MANTID_MDALGORITHMS_DLL FindPeaksMD final : public API::Algorithm {
public:
  FindPeaksMD();
  const std::string name() const override { return "FindPeaksMD"; };
  const std::string summary() const override {
    return "Find peaks in reciprocal space in a MDEventWorkspace or a "
           "MDHistoWorkspace.";
  }
 
  int version() const override { return 1; };
  const std::vector<std::string> seeAlso() const override { return {"FindPeaks"}; }
  const std::string category() const override { return "Optimization\\PeakFinding;MDAlgorithms\\Peaks"; }
 
  std::map<std::string, std::string> validateInputs() override;
 
private:
  void init() override;
  void exec() override;
 
  void readExperimentInfo(const Mantid::API::ExperimentInfo_sptr &ei);
  void checkWorkspaceDims(const Mantid::API::IMDWorkspace_sptr &ws);
  void determineOutputType(const std::string &peakType, const uint16_t numExperimentInfo);
 
  void addPeak(const Mantid::Kernel::V3D &Q, const double binCount, const Geometry::InstrumentRayTracer &tracer);
 
  void addLeanElasticPeak(const Mantid::Kernel::V3D &Q, const double binCount, const bool useGoniometer = false);
 
  std::shared_ptr<DataObjects::Peak> createPeak(const Mantid::Kernel::V3D &Q, const double binCount,
                                                const Geometry::InstrumentRayTracer &tracer);
 
  std::shared_ptr<DataObjects::LeanElasticPeak>
  createLeanElasticPeak(const Mantid::Kernel::V3D &Q, const double binCount, const bool useGoniometer = false);
 
  template <typename MDE, size_t nd> void findPeaks(typename DataObjects::MDEventWorkspace<MDE, nd>::sptr ws);
  void findPeaksHisto(const Mantid::DataObjects::MDHistoWorkspace_sptr &ws);
 
  Mantid::API::IPeaksWorkspace_sptr peakWS;
 
  coord_t peakRadiusSquared;
 
  double DensityThresholdFactor;
 
  int64_t m_maxPeaks;
 
  int m_edge;
 
  bool m_addDetectors;
 
  signal_t m_densityScaleFactor;
 
  std::unique_ptr<Mantid::API::Progress> prog = nullptr;
 
  enum eDimensionType { HKL, QLAB, QSAMPLE };
 
  Mantid::Geometry::Instrument_const_sptr inst;
  int m_runNumber;
  eDimensionType dimType;
  Mantid::Kernel::Matrix<double> m_goniometer;
 
  bool m_useNumberOfEventsNormalization = false;
  double m_signalThresholdFactor = 1.5;
  static const std::string volumeNormalization;
  static const std::string numberOfEventsNormalization;
 
  bool m_leanElasticPeak = false;
};
 
} // namespace MDAlgorithms
} // namespace Mantid