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PseudoVoigt.h
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PseudoVoigt.h
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#ifndef MANTID_CURVEFITTING_PSEUDOVOIGT_H_
#define MANTID_CURVEFITTING_PSEUDOVOIGT_H_
#include "MantidKernel/System.h"
#include "MantidAPI/IPeakFunction.h"
namespace Mantid {
namespace CurveFitting {
/** PseudoVoigt
This peak function provides an implementation of the pseudo-Voigt function,
which is an approximation of the Voigt function (convolution of Gaussian
and Lorentzian). The function has 4 parameters, height, FWHM, center and
a mixing parameter a, which is limited to the interval [0,1].
The function is defined as:
f(x) = a * G(x) + (1.0 - a) * L(x)
with G(x) being the Gaussian and L(x) being the Lorentzian peak function.
This profile function is often used for peaks which are not strictly
Gaussian or Lorentzian shaped.
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 03/03/2015
Copyright © 2015 PSI-NXMM
This file is part of Mantid.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class DLLExport PseudoVoigt : public API::IPeakFunction {
public:
virtual ~PseudoVoigt() {}
double centre() const { return getParameter("PeakCentre"); }
double height() const { return getParameter("Height"); }
double fwhm() const { return getParameter("FWHM"); }
void setCentre(const double c) { setParameter("PeakCentre", c); }
void setHeight(const double h) { setParameter("Height", h); }
void setFwhm(const double w) { setParameter("FWHM", w); }
std::string name() const { return "PseudoVoigt"; }
const std::string category() const { return "Peak"; }
protected:
void functionLocal(double *out, const double *xValues,
const size_t nData) const;
void functionDerivLocal(API::Jacobian *out, const double *xValues,
const size_t nData);
void init();
};
} // namespace CurveFitting
} // namespace Mantid
#endif /* MANTID_CURVEFITTING_PSEUDOVOIGT_H_ */