BasicHKLFilters.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 "MantidGeometry/Crystal/HKLFilter.h"
#include "MantidGeometry/Crystal/ReflectionCondition.h"
#include "MantidGeometry/Crystal/SpaceGroup.h"
#include "MantidGeometry/Crystal/StructureFactorCalculator.h"
#include "MantidGeometry/Crystal/UnitCell.h"
#include "MantidGeometry/DllConfig.h"
 
#include <strstream>
 
namespace Mantid {
namespace Geometry {
 
class MANTID_GEOMETRY_DLL HKLFilterNone final : public HKLFilter {
public:
  inline std::string getDescription() const noexcept override { return "Accepts all HKL values."; }
  inline bool isAllowed(const Kernel::V3D & /*hkl*/) const noexcept override { return true; }
};
 
class MANTID_GEOMETRY_DLL HKLFilterDRange final : public HKLFilter {
public:
  HKLFilterDRange(const UnitCell &cell, double dMin);
  HKLFilterDRange(const UnitCell &cell, double dMin, double dMax);
 
  std::string getDescription() const noexcept override;
  bool isAllowed(const Kernel::V3D &hkl) const noexcept override;
 
private:
  void checkProperDRangeValues();
 
  UnitCell m_cell;
  double m_dmin, m_dmax;
};
 
class MANTID_GEOMETRY_DLL HKLFilterSpaceGroup final : public HKLFilter {
public:
  HKLFilterSpaceGroup(SpaceGroup_const_sptr spaceGroup);
 
  std::string getDescription() const noexcept override;
  bool isAllowed(const Kernel::V3D &hkl) const noexcept override;
 
protected:
  SpaceGroup_const_sptr m_spaceGroup;
};
 
class MANTID_GEOMETRY_DLL HKLFilterStructureFactor final : public HKLFilter {
public:
  HKLFilterStructureFactor(StructureFactorCalculator_sptr calculator, double fSquaredMin = 1.0e-6);
 
  std::string getDescription() const noexcept override;
  bool isAllowed(const Kernel::V3D &hkl) const noexcept override;
 
protected:
  StructureFactorCalculator_sptr m_calculator;
  double m_fSquaredMin;
};
 
class MANTID_GEOMETRY_DLL HKLFilterCentering final : public HKLFilter {
public:
  HKLFilterCentering(ReflectionCondition_sptr centering);
 
  std::string getDescription() const noexcept override;
  bool isAllowed(const Kernel::V3D &hkl) const noexcept override;
 
protected:
  ReflectionCondition_sptr m_centering;
};
 
} // namespace Geometry
} // namespace Mantid