SymInfo.hh

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#ifndef CASM_SymInfo
#define CASM_SymInfo
 
#include "casm/crystallography/Coordinate.hh"
#include "casm/external/Eigen/Dense"
#include "casm/symmetry/SymOp.hh"
 
namespace CASM {
 
enum class symmetry_type {
  identity_op,
  mirror_op,
  glide_op,
  rotation_op,
  screw_op,
  inversion_op,
  rotoinversion_op,
  invalid_op
};
 
struct SymInfo {
  SymInfo(const SymOp &op, const xtal::Lattice &lat);
 
  symmetry_type op_type;
 
  xtal::Coordinate axis;
 
  double angle;
 
  xtal::Coordinate screw_glide_shift;
 
  xtal::Coordinate location;
 
  bool time_reversal;
 
 private:
  typedef SymOp::vector_type vector_type;
  typedef SymOp::matrix_type matrix_type;
 
  void _set(const vector_type &_axis, const vector_type &_screw_glide_shift,
            const vector_type &_location, const xtal::Lattice &lat);
};
 
}  // namespace CASM
 
#endif