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LatticeFunction.h
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LatticeFunction.h
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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2015 ISIS Rutherford Appleton Laboratory UKRI,
// NScD Oak Ridge National Laboratory, European Spallation Source,
// Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
// SPDX - License - Identifier: GPL - 3.0 +
#pragma once
#include "MantidAPI/ILatticeFunction.h"
#include "MantidCurveFitting/DllConfig.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
*/
class MANTID_CURVEFITTING_DLL 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;
};
using LatticeFunction_sptr = std::shared_ptr<LatticeFunction>;
} // namespace CurveFitting
} // namespace Mantid