CenteringGroup.h

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// Mantid Repository : https://github.com/mantidproject/mantid
//
// Copyright © 2014 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/Group.h"
#include "MantidGeometry/DllConfig.h"
#include <map>
 
#include "MantidKernel/SingletonHolder.h"
 
namespace Mantid {
namespace Geometry {
 
class MANTID_GEOMETRY_DLL CenteringGroup : public Group {
public:
  enum CenteringType { P, I, A, B, C, F, Robv, Rrev };
 
  CenteringGroup(const std::string &centeringSymbol);
  CenteringType getType() const;
  const std::string &getSymbol() const;
 
protected:
  CenteringType m_type;
  std::string m_symbol;
};
 
using CenteringGroup_sptr = std::shared_ptr<CenteringGroup>;
using CenteringGroup_const_sptr = std::shared_ptr<const CenteringGroup>;
 
class MANTID_GEOMETRY_DLL CenteringGroupCreatorImpl {
public:
  CenteringGroup::CenteringType getCenteringType(const std::string &centeringSymbol) const;
 
  std::vector<SymmetryOperation> getSymmetryOperations(CenteringGroup::CenteringType centeringType) const;
 
protected:
  std::vector<SymmetryOperation> getPrimitive() const;
  std::vector<SymmetryOperation> getBodyCentered() const;
  std::vector<SymmetryOperation> getACentered() const;
  std::vector<SymmetryOperation> getBCentered() const;
  std::vector<SymmetryOperation> getCCentered() const;
  std::vector<SymmetryOperation> getFCentered() const;
  std::vector<SymmetryOperation> getRobvCentered() const;
  std::vector<SymmetryOperation> getRrevCentered() const;
  CenteringGroupCreatorImpl();
 
  std::map<std::string, CenteringGroup::CenteringType> m_centeringSymbolMap;
 
private:
  friend struct Mantid::Kernel::CreateUsingNew<CenteringGroupCreatorImpl>;
};
 
using CenteringGroupCreator = Mantid::Kernel::SingletonHolder<CenteringGroupCreatorImpl>;
 
} // namespace Geometry
} // namespace Mantid
 
namespace Mantid {
namespace Kernel {
EXTERN_MANTID_GEOMETRY template class MANTID_GEOMETRY_DLL
    Mantid::Kernel::SingletonHolder<Mantid::Geometry::CenteringGroupCreatorImpl>;
}
} // namespace Mantid