SymInfo.hh

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#ifndef CASM_SymInfo
#define CASM_SymInfo

#include <iostream>
#include <string>
#include <iomanip>

#include "casm/external/Eigen/Dense"
#include "casm/crystallography/Coordinate.hh"
#include "casm/casm_io/EnumIO.hh"
#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
  };

  ENUM_TRAITS(symmetry_type)

  ENUM_IO(symmetry_type)

  struct SymInfo {

    SymInfo(const SymOp &op, const Lattice &lat);

    symmetry_type op_type;

    Coordinate axis;

    double angle;

    Coordinate screw_glide_shift;

    Coordinate location;


  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 Lattice &lat);
  };


  std::string to_string(const SymInfo &info, COORD_TYPE mode);

  std::string description(const SymOp &op, const Lattice &lat, COORD_TYPE mode);

  void add_sym_info(const SymInfo &info, jsonParser &j);

}

#endif