ComptonProfile.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2013 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/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAPI/ParamFunction.h"
#include "MantidCurveFitting/DllConfig.h"
#include "MantidCurveFitting/Functions/VesuvioResolution.h"
#include "MantidHistogramData/Histogram.h"
#include "MantidKernel/Logger.h"
 
namespace Mantid {
namespace CurveFitting {
namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
} // namespace Algorithms
 
namespace Functions {
class MANTID_CURVEFITTING_DLL ComptonProfile : public API::ParamFunction, public API::IFunction1D {
public:
  ComptonProfile();
 
  void function1D(double *out, const double *xValues, const size_t nData) const override;
  void setUpForFit() override;
  void setMatrixWorkspace(std::shared_ptr<const API::MatrixWorkspace> workspace, size_t wsIndex, double startX,
                          double endX) override;
 
  void buildCaches();
 
  void cacheYSpaceValues(const HistogramData::Points &tseconds, const Algorithms::DetectorParams &detpar,
                         const ResolutionParams &respar);
 
  virtual void cacheYSpaceValues(const HistogramData::Points &tseconds, const Algorithms::DetectorParams &detpar);
  void disableLogging() { m_log.setEnabled(false); }
 
  virtual void massProfile(double *result, const size_t nData) const = 0;
  virtual std::vector<size_t> intensityParameterIndices() const = 0;
  virtual size_t fillConstraintMatrix(Kernel::DblMatrix &cmatrix, const size_t start,
                                      const HistogramData::HistogramE &errors) const = 0;
 
  void setParameter(size_t i, const double &value, bool explicitlySet = true) override;
 
  void setParameter(const std::string &name, const double &value, bool explicitlySet = true) override {
    ParamFunction::setParameter(name, value, explicitlySet);
  }
 
protected:
  void declareParameters() override;
 
  inline const std::vector<double> &ySpace() const { return m_yspace; }
  inline const std::vector<double> &modQ() const { return m_modQ; }
  inline const std::vector<double> &e0() const { return m_e0; }
  inline double mass() const { return m_mass; }
 
  void voigtApproxDiff(std::vector<double> &voigtDiff, const std::vector<double> &yspace, const double lorentzPos,
                       const double lorentzAmp, const double lorentzWidth, const double gaussWidth) const;
  void voigtApprox(std::vector<double> &voigt, const std::vector<double> &yspace, const double lorentzPos,
                   const double lorentzAmp, const double lorentzWidth, const double gaussWidth) const;
 
protected:
  mutable Kernel::Logger m_log;
 
  std::shared_ptr<const API::MatrixWorkspace> m_workspace;
  size_t m_wsIndex;
 
  double m_startX;
  double m_endX;
 
  std::shared_ptr<API::IPeakFunction> m_voigt;
  std::shared_ptr<VesuvioResolution> m_resolutionFunction;
 
  std::vector<double> m_yspace;
  std::vector<double> m_modQ;
  std::vector<double> m_e0;
  double m_mass;
};
 
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid