PseudoVoigt.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2015 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 "MantidCurveFitting/DllConfig.h"
 
namespace Mantid {
namespace CurveFitting {
namespace Functions {
 
class MANTID_CURVEFITTING_DLL PseudoVoigt : public API::IPeakFunction {
public:
  double centre() const override { return getParameter("PeakCentre"); }
  double intensity() const override { return getParameter("Intensity"); }
  double intensityError() const override { return getError("Intensity"); }
  double height() const override;
  double fwhm() const override { return getParameter("FWHM"); }
 
  void setCentre(const double c) override { setParameter("PeakCentre", c); }
  void setHeight(const double h) override;
  void setFwhm(const double w) override;
  void setIntensity(const double newIntensity) override { setParameter("Intensity", newIntensity); }
 
  std::string name() const override { return "PseudoVoigt"; }
  const std::string category() const override { return "Peak"; }
 
  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;
 
protected:
  void functionLocal(double *out, const double *xValues, const size_t nData) const override;
 
  void functionDerivLocal(API::Jacobian *out, const double *xValues, const size_t nData) override;
 
  void init() override;
 
private:
  std::vector<size_t> m_set_history_distances;
  void update_set_history(size_t set_index);
  size_t get_parameter_to_calculate_from_set();
  bool estimate_parameter_value();
 
  double m_height;
};
 
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid