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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 {
namespace Functions {
/**
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:
Gaussian();
/// overwrite IPeakFunction base class methods
double centre() const override;
double height() const override;
double fwhm() const override;
double intensity() const override;
void setCentre(const double c) override;
void setHeight(const double h) override;
void setFwhm(const double w) override;
void setIntensity(const double i) override;
void fixCentre(bool isDefault = false) override;
void unfixCentre() override;
void fixIntensity(bool isDefault = false) override;
void unfixIntensity() override;
/// overwrite IFunction base class methods
std::string name() const override { return "Gaussian"; }
const std::string category() const override { return "Peak"; }
void setActiveParameter(size_t i, double value) override;
double activeParameter(size_t i) const 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;
/// overwrite IFunction base class method, which declare function parameters
void init() override;
/// Calculate histogram data.
void histogram1D(double *out, double left, const double *right,
const size_t nBins) const override;
/// Devivatives of the histogram.
void histogramDerivative1D(API::Jacobian *jacobian, double left,
const double *right,
const size_t nBins) const override;
/// Intensity cache to help recover form Sigma==0 situation
mutable double m_intensityCache;
};
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
#endif /*MANTID_CURVEFITTING_GAUSSIAN_H_*/