LatticeIsEquivalent.hh

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#ifndef CASM_LatticeIsEquivalent
#define CASM_LatticeIsEquivalent
 
#include "casm/crystallography/Adapter.hh"
#include "casm/crystallography/Lattice.hh"
#include "casm/external/Eigen/Dense"
 
namespace CASM {
namespace xtal {
 
struct SymOp;
 
class LatticeIsEquivalent {
 public:
  LatticeIsEquivalent(const Lattice &_lat);
 
  bool operator()(const Lattice &other, double tol = -1.) const;
 
  Eigen::Matrix3d U() const;
 
 private:
  Lattice m_lat;
  mutable Eigen::Matrix3d m_U;
};
 
class IsPointGroupOp {
 public:
  IsPointGroupOp(const Lattice &lat);
 
  bool operator()(const SymOp &cart_op) const;
 
  template <typename ExternSymOp>
  bool operator()(const ExternSymOp &cart_op) const {
    return this->operator()(adapter::Adapter<SymOp, ExternSymOp>()(cart_op));
  }
 
  bool operator()(const Eigen::Matrix3d &cart_op) const;
 
  bool operator()(const Eigen::Matrix3i &frac_op) const;
 
  double map_error() const;
 
  Eigen::Matrix3d cart_op() const;
 
  SymOp sym_op() const;
 
 private:
  bool _check(const Eigen::Matrix3d &tfrac_op) const;
 
  const Eigen::Matrix3d &lat_column_mat() const;
 
  const Eigen::Matrix3d &inv_lat_column_mat() const;
 
  Lattice m_lat;
  mutable double m_map_error;
  mutable Eigen::Matrix3d m_cart_op;
};
 
bool is_equivalent(const Lattice &ref_lattice, const Lattice &other);
 
}  // namespace xtal
}  // namespace CASM
 
#endif