GeneratePeaks.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2012 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/CompositeFunction.h"
#include "MantidAPI/IBackgroundFunction.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAlgorithms/DllConfig.h"
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidDataObjects/Workspace2D.h"
 
namespace Mantid {
namespace Algorithms {
 
class MANTID_ALGORITHMS_DLL GeneratePeaks final : public API::Algorithm {
public:
  GeneratePeaks();
 
  const std::string name() const override { return "GeneratePeaks"; }
  const std::string summary() const override {
    return "Generate peaks in an output workspace according to a "
           "TableWorkspace containing a list of peak's parameters.";
  }
 
  int version() const override { return 1; }
  const std::vector<std::string> seeAlso() const override { return {"FindPeaks", "MatchPeaks"}; }
  const std::string category() const override { return "Crystal\\Peaks"; }
 
private:
  void init() override;
 
  void exec() override;
 
  void processAlgProperties(std::string &peakfunctype, std::string &bkgdfunctype);
 
  void processTableColumnNames();
 
  void importPeaksFromTable(std::map<specnum_t, std::vector<std::pair<double, API::IFunction_sptr>>> &functionmap);
 
  void importPeakFromVector(std::vector<std::pair<double, API::IFunction_sptr>> &functionmap);
 
  void generatePeaks(const std::map<specnum_t, std::vector<std::pair<double, API::IFunction_sptr>>> &functionmap,
                     const API::MatrixWorkspace_sptr &dataWS);
 
  bool hasParameter(const API::IFunction_sptr &function, const std::string &paramname);
 
  API::MatrixWorkspace_sptr createOutputWorkspace();
 
  API::MatrixWorkspace_sptr createDataWorkspace(std::vector<double> binparameters);
 
  void createFunction(std::string &peaktype, std::string &bkgdtype);
 
  void getSpectraSet(const DataObjects::TableWorkspace_const_sptr &peakParmsWS);
 
  API::IPeakFunction_sptr getPeakFunction(const API::IFunction_sptr &infunction);
 
  std::vector<std::string> addFunctionParameterNames(const std::vector<std::string> &funcnames);
 
  API::IPeakFunction_sptr m_peakFunction;
 
  API::IBackgroundFunction_sptr m_bkgdFunction;
 
  std::vector<double> m_vecPeakParamValues;
  std::vector<double> m_vecBkgdParamValues;
 
  std::map<specnum_t, specnum_t> m_SpectrumMap;
 
  std::set<specnum_t> m_spectraSet;
 
  bool m_useAutoBkgd;
 
  DataObjects::TableWorkspace_sptr m_funcParamWS;
 
  API::MatrixWorkspace_const_sptr inputWS;
 
  bool m_newWSFromParent;
 
  std::vector<double> binParameters;
 
  bool m_genBackground;
 
  bool m_useRawParameter;
 
  double m_maxChi2;
 
  double m_numPeakWidth;
 
  std::vector<std::string> m_funcParameterNames;
 
  int i_height, i_centre, i_width, i_a0, i_a1, i_a2;
 
  bool m_useFuncParamWS;
 
  int m_wsIndex;
};
 
} // namespace Algorithms
} // namespace Mantid