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ConvertToYSpace.h
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ConvertToYSpace.h
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#ifndef MANTID_CURVEFITTING_CONVERTTOYSPACE_H_
#define MANTID_CURVEFITTING_CONVERTTOYSPACE_H_
#include "MantidAPI/Algorithm.h"
namespace Mantid
{
namespace CurveFitting
{
/// Simple data structure to store nominal detector values
/// It avoids some functions taking a huge number of arguments
struct DetectorParams
{
double l1; ///< source-sample distance in metres
double l2; ///< sample-detector distance in metres
double theta; ///< scattering angle in radians
double t0; ///< time delay in seconds
double efixed; ///< final energy
};
/**
Takes a workspace with X axis in TOF and converts it to Y-space where the transformation is defined
by equation (7) in http://link.aip.org/link/doi/10.1063/1.3561493?ver=pdfcov
Copyright © 2013 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory
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 ConvertToYSpace : public API::Algorithm
{
public:
/// Constructor
ConvertToYSpace();
const std::string name() const;
int version() const;
const std::string category() const;
/// Creates a POD struct containing the required detector parameters for this spectrum
static DetectorParams getDetectorParameters(const API::MatrixWorkspace_const_sptr & ws, const size_t index);
/// Retrieve a component parameter
static double getComponentParameter(const Geometry::IComponent_const_sptr & comp,
const Geometry::ParameterMap &pmap,
const std::string &name);
/// Convert single time value to Y,Q & Ei values
static void calculateY(double & yspace, double & qspace, double &ei,
const double mass, const double tmicro,
const double k1, const double v1,
const DetectorParams & detpar);
private:
virtual void initDocs();
void init();
void exec();
/// Perform the conversion to Y-space
bool convert(const size_t i);
/// Check and store appropriate input data
void retrieveInputs();
/// Create the output workspace
void createOutputWorkspace();
/// Compute & store the parameters that are fixed during the correction
void cacheInstrumentGeometry();
/// Input workspace
API::MatrixWorkspace_sptr m_inputWS;
/// The input mass in AMU
double m_mass;
/// Source-sample distance
double m_l1;
/// Sample position
Kernel::V3D m_samplePos;
/// Output workspace
API::MatrixWorkspace_sptr m_outputWS;
};
} // namespace CurveFitting
} // namespace Mantid
#endif /* MANTID_CURVEFITTING_CONVERTTOYSPACE_H_ */