SymmetryElement.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/SymmetryOperation.h"
#include "MantidGeometry/Crystal/V3R.h"
#include "MantidGeometry/DllConfig.h"
#include "MantidKernel/Matrix.h"
 
#include <gsl/gsl_matrix.h>
#include <memory>
 
namespace Mantid {
namespace Geometry {
 
class MANTID_GEOMETRY_DLL SymmetryElement {
public:
  virtual ~SymmetryElement() = default;
 
  virtual std::shared_ptr<SymmetryElement> clone() const = 0;
 
  std::string hmSymbol() const { return m_hmSymbol; }
 
protected:
  SymmetryElement(std::string symbol);
 
  std::string m_hmSymbol;
};
 
using SymmetryElement_sptr = std::shared_ptr<SymmetryElement>;
 
class MANTID_GEOMETRY_DLL SymmetryElementIdentity : public SymmetryElement {
public:
  SymmetryElementIdentity();
 
  SymmetryElement_sptr clone() const override;
};
 
using SymmetryElementIdentity_sptr = std::shared_ptr<SymmetryElementIdentity>;
 
class MANTID_GEOMETRY_DLL SymmetryElementInversion : public SymmetryElement {
public:
  SymmetryElementInversion(const V3R &inversionPoint = V3R(0, 0, 0));
 
  SymmetryElement_sptr clone() const override;
 
  V3R getInversionPoint() const { return m_inversionPoint; }
 
protected:
  V3R m_inversionPoint;
};
 
using SymmetryElementInversion_sptr = std::shared_ptr<SymmetryElementInversion>;
 
class MANTID_GEOMETRY_DLL SymmetryElementTranslation : public SymmetryElement {
public:
  SymmetryElementTranslation(const V3R &translation);
 
  V3R getTranslation() const { return m_translation; }
 
  SymmetryElement_sptr clone() const override;
 
protected:
  V3R m_translation;
};
 
using SymmetryElementTranslation_sptr = std::shared_ptr<SymmetryElementTranslation>;
 
class MANTID_GEOMETRY_DLL SymmetryElementWithAxis : public SymmetryElement {
public:
  V3R getAxis() const { return m_axis; }
 
  V3R getTranslation() const { return m_translation; }
 
protected:
  SymmetryElementWithAxis(const std::string &symbol, const V3R &axis, const V3R &translation);
 
  void setAxis(const V3R &axis);
 
  V3R m_axis;
  V3R m_translation;
};
 
using SymmetryElementWithAxis_sptr = std::shared_ptr<SymmetryElementWithAxis>;
 
class MANTID_GEOMETRY_DLL SymmetryElementRotation : public SymmetryElementWithAxis {
public:
  enum RotationSense { Positive, Negative, NoRotation };
 
  SymmetryElementRotation(const std::string &symbol, const V3R &axis, const V3R &translation = V3R(0, 0, 0),
                          const RotationSense &rotationSense = Positive);
 
  SymmetryElement_sptr clone() const override;
 
  RotationSense getRotationSense() const { return m_rotationSense; }
 
protected:
  RotationSense m_rotationSense;
};
 
using SymmetryElementRotation_sptr = std::shared_ptr<SymmetryElementRotation>;
 
class MANTID_GEOMETRY_DLL SymmetryElementMirror : public SymmetryElementWithAxis {
public:
  SymmetryElementMirror(const std::string &symbol, const V3R &axis, const V3R &translation = V3R(0, 0, 0));
 
  SymmetryElement_sptr clone() const override;
};
 
using SymmetryElementMirror_sptr = std::shared_ptr<SymmetryElementMirror>;
 
} // namespace Geometry
} // namespace Mantid