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VesuvioResolution.h
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VesuvioResolution.h
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#ifndef MANTID_CURVEFITTING_VESUVIORESOLUTION_H_
#define MANTID_CURVEFITTING_VESUVIORESOLUTION_H_
#include "MantidCurveFitting/DllConfig.h"
#include "MantidAPI/IPeakFunction.h"
#include "MantidAPI/MatrixWorkspace_fwd.h"
#include "MantidAPI/ParamFunction.h"
namespace Mantid {
namespace CurveFitting {
namespace Algorithms {
//---------------------------------------------------------------------------
// Forward declarations
//---------------------------------------------------------------------------
struct DetectorParams;
}
namespace Functions {
//---------------------------------------------------------------------------
/// Simple data structure to store resolution parameter values
/// It avoids some functions taking a huge number of arguments
struct ResolutionParams {
double dl1; ///< spread in source-sample distance (m)
double dl2; ///< spread in sample-detector distance (m)
double dtof; ///< spread in tof measurement (us)
double dthe; ///< spread in scattering angle (radians)
double dEnLorentz; ///< lorentz width in energy (meV)
double dEnGauss; ///< gaussian width in energy (meV
};
/**
Calculate the resolution from a workspace of Vesuvio data using the mass &
instrument definition.
Copyright © 2013 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 MANTID_CURVEFITTING_DLL VesuvioResolution : public API::ParamFunction,
public API::IFunction1D {
public:
/// Creates a POD struct containing the required resolution parameters for
/// this spectrum
static ResolutionParams
getResolutionParameters(const API::MatrixWorkspace_const_sptr &ws,
const size_t index);
/// Default constructor required for factory
VesuvioResolution();
/** @name Function evaluation */
///@{
/// A string identifier for this function
std::string name() const override;
/// Access total resolution width
inline double resolutionFWHM() const { return m_resolutionSigma; }
/// Access lorentz FWHM
inline double lorentzFWHM() const { return m_lorentzFWHM; }
/// Calculate the function
void function1D(double *out, const double *xValues,
const size_t nData) const override;
/// Ensure the object is ready to be fitted
void setUpForFit() override;
/// Cache a copy of the workspace pointer and pull out the parameters
void
setMatrixWorkspace(boost::shared_ptr<const API::MatrixWorkspace> workspace,
size_t wsIndex, double startX, double endX) override;
/// Pre-calculate the resolution components values
void cacheResolutionComponents(const Algorithms::DetectorParams &detpar,
const ResolutionParams &respar);
/// Turn off logger
void disableLogging() { m_log.setEnabled(false); }
/// Compute Voigt function
void voigtApprox(std::vector<double> &voigt,
const std::vector<double> &xValues, const double lorentzPos,
const double lorentzAmp, const double lorentzWidth,
const double gaussWidth) const;
/// Compute Voigt function with cached values
void voigtApprox(std::vector<double> &voigt,
const std::vector<double> &xValues, const double lorentzPos,
const double lorentzAmp) const;
///@}
private:
/// Declare parameters that will never participate in the fit
void declareAttributes() override;
/// Set an attribute value (and possibly cache its value)
void setAttribute(const std::string &name, const Attribute &value) override;
/// Logger
mutable Kernel::Logger m_log;
/// Current workspace index, required to access instrument parameters
size_t m_wsIndex;
/// Store the mass values
double m_mass;
/// Voigt function
boost::shared_ptr<API::IPeakFunction> m_voigt;
/// Total resolution width
double m_resolutionSigma;
/// Lorentz FWHM
double m_lorentzFWHM;
///@}
};
} // namespace Functions
} // namespace CurveFitting
} // namespace Mantid
#endif /* MANTID_CURVEFITTING_VESUVIORESOLUTION_H_ */