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Gaussian.h
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Gaussian.h
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#ifndef MANTID_CURVEFITTING_GAUSSIAN_H_
#define MANTID_CURVEFITTING_GAUSSIAN_H_
//----------------------------------------------------------------------
// Includes
//----------------------------------------------------------------------
#include "MantidAPI/IPeakFunction.h"
#include <cmath>
namespace Mantid {
namespace CurveFitting {
/**
Provide gaussian peak shape function interface to IPeakFunction.
I.e. the function: Height*exp(-0.5*((x-PeakCentre)/Sigma)^2).
This function actually performs the fitting on 1/Sigma^2 rather than Sigma
for stability reasons.
Gauassian parameters:
<UL>
<LI> Height - height of peak (default 0.0)</LI>
<LI> PeakCentre - centre of peak (default 0.0)</LI>
<LI> Sigma - standard deviation (default 0.0)</LI>
</UL>
@author Anders Markvardsen, ISIS, RAL
@date 19/10/2009
Copyright © 2007-8 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
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 Gaussian : public API::IPeakFunction {
public:
/// Destructor
virtual ~Gaussian(){};
/// overwrite IPeakFunction base class methods
virtual double centre() const { return getParameter("PeakCentre"); }
virtual double height() const { return getParameter("Height"); }
virtual double fwhm() const {
return 2.0 * sqrt(2.0 * std::log(2.0)) * getParameter("Sigma");
}
virtual void setCentre(const double c) { setParameter("PeakCentre", c); }
virtual void setHeight(const double h) { setParameter("Height", h); }
virtual void setFwhm(const double w) {
setParameter("Sigma", w / (2.0 * sqrt(2.0 * std::log(2.0))));
}
/// overwrite IFunction base class methods
std::string name() const { return "Gaussian"; }
virtual const std::string category() const { return "Peak"; }
virtual void setActiveParameter(size_t i, double value);
virtual double activeParameter(size_t i) const;
protected:
virtual void functionLocal(double *out, const double *xValues,
const size_t nData) const;
virtual void functionDerivLocal(API::Jacobian *out, const double *xValues,
const size_t nData);
/// overwrite IFunction base class method, which declare function parameters
virtual void init();
};
} // namespace CurveFitting
} // namespace Mantid
#endif /*MANTID_CURVEFITTING_GAUSSIAN_H_*/