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IkedaCarpenterPV.h
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IkedaCarpenterPV.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2007 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
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/IFunctionMW.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidCurveFitting/DllConfig.h"
namespace Mantid {
namespace CurveFitting {
namespace Functions {
/**
Provide Ikeda-Carpenter-pseudo-Voigt peak shape function interface to
IPeakFunction. See wiki
page www.mantidproject.org/IkedaCarpenterPV for documentation for this function.
@author Anders Markvardsen, ISIS, RAL
@date 3/11/2009
*/
class MANTID_CURVEFITTING_DLL IkedaCarpenterPV : virtual public API::IPeakFunction, virtual public API::IFunctionMW {
public:
/// overwrite IPeakFunction base class methods
double centre() const override;
double height() const override;
double fwhm() const override;
void setCentre(const double c) override;
void setHeight(const double h) override;
void setFwhm(const double w) override;
/// overwrite IFunction base class methods
std::string name() const override { return "IkedaCarpenterPV"; }
const std::string category() const override { return "Peak"; }
/// Returns the integral intensity of the peak
double intensity() const override;
void setMatrixWorkspace(std::shared_ptr<const API::MatrixWorkspace> workspace, size_t wi, double startX,
double endX) 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 functionDeriv(const API::FunctionDomain &domain, API::Jacobian &jacobian) override;
/// overwrite IFunction base class method, which declare function parameters
void init() override;
private:
/// container for storing wavelength values for each data point
mutable std::vector<double> m_waveLength;
/// calculate the const function
void constFunction(double *out, const double *xValues, const int &nData) const;
/// method for updating m_waveLength
void calWavelengthAtEachDataPoint(const double *xValues, const size_t &nData) const;
/// convert voigt params to pseudo voigt params
void convertVoigtToPseudo(const double &voigtSigmaSq, const double &voigtGamma, double &H, double &eta) const;
/// constrain all parameters to be non-negative
void lowerConstraint0(const std::string ¶mName);
};
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid