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LatticeFunction.h
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LatticeFunction.h
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#ifndef MANTID_CURVEFITTING_LATTICEFUNCTION_H_
#define MANTID_CURVEFITTING_LATTICEFUNCTION_H_
#include "MantidKernel/System.h"
#include "MantidAPI/ILatticeFunction.h"
#include "MantidCurveFitting/Functions/PawleyFunction.h"
namespace Mantid {
namespace CurveFitting {
/** LatticeFunction
LatticeFunction implements API::ILatticeFunction. Internally it uses
a PawleyParameterFunction to expose appropriate lattice parameters for each
crystal system.
For each HKL in the supplied LatticeDomain, the function method calculates
the d-value using the UnitCell that is generated from the function parameters.
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 15/04/2015
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 LatticeFunction : public API::ILatticeFunction {
public:
LatticeFunction();
std::string name() const override { return "LatticeFunction"; }
void functionLattice(const API::LatticeDomain &latticeDomain,
API::FunctionValues &values) const override;
void setLatticeSystem(const std::string &crystalSystem) override;
void setUnitCell(const std::string &unitCellString) override;
void setUnitCell(const Geometry::UnitCell &unitCell) override;
Geometry::UnitCell getUnitCell() const override;
protected:
void init() override;
void beforeDecoratedFunctionSet(const API::IFunction_sptr &fn) override;
private:
Functions::PawleyParameterFunction_sptr m_cellParameters;
};
typedef boost::shared_ptr<LatticeFunction> LatticeFunction_sptr;
} // namespace CurveFitting
} // namespace Mantid
#endif /* MANTID_CURVEFITTING_LATTICEFUNCTION_H_ */