VectorSymCompare_v2.hh

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#ifndef CASM_symmetry_VectorSymCompare_v2
#define CASM_symmetry_VectorSymCompare_v2
 
#include <set>
 
#include "casm/container/multivector.hh"
#include "casm/external/Eigen/Core"
#include "casm/global/definitions.hh"
 
namespace CASM {
 
namespace SymRepTools_v2 {
 
typedef std::vector<Eigen::MatrixXd> MatrixRep;
typedef std::set<Index> GroupIndices;
typedef std::set<GroupIndices> GroupIndicesOrbit;
typedef std::vector<GroupIndicesOrbit> GroupIndicesOrbitVector;
 
class VectorInvariants {
 public:
  VectorInvariants(Eigen::VectorXcd const &vector);
 
  double cols() const;
  double norm() const;
 
 private:
  double m_cols;
  double m_norm;
};
 
}  // namespace SymRepTools_v2
 
bool almost_equal(SymRepTools_v2::VectorInvariants const &A_invariants,
                  SymRepTools_v2::VectorInvariants const &B_invariants,
                  double tol);
 
bool compare(SymRepTools_v2::VectorInvariants const &A_invariants,
             SymRepTools_v2::VectorInvariants const &B_invariants, double tol);
 
namespace SymRepTools_v2 {
 
struct VectorSymCompare {
  VectorSymCompare(MatrixRep const &matrix_rep, double tol);
 
  typedef Index SymOpRepType;
  typedef Eigen::VectorXcd Element;
  typedef VectorInvariants InvariantsType;
 
  // lexicographical comparison (reversed, uses vector_B < vector_A)
  bool compare(Eigen::VectorXcd const &vector_A,
               Eigen::VectorXcd const &vector_B) const;
 
  // return VectorInvariants
  VectorInvariants make_invariants(Eigen::VectorXcd const &vector) const;
 
  // apply matrix rep to vector
  Eigen::VectorXcd copy_apply(Index const &op_index,
                              Eigen::VectorXcd vector) const;
 
  // no change needed to prepare for comparison
  Eigen::VectorXcd prepare(Eigen::VectorXcd vector) const;
 
  // compare orbits by first comparing invariants, then orbit prototypes
  bool inter_orbit_compare(Eigen::VectorXcd const &A_prototype,
                           VectorInvariants const &A_invariants,
                           Eigen::VectorXcd const &B_prototype,
                           VectorInvariants const &B_invariants) const;
 
 private:
  MatrixRep const &m_matrix_rep;
  double m_tol;
};
 
Eigen::MatrixXcd vector_space_prepare(Eigen::MatrixXcd const &vector_space,
                                      double tol);
 
Eigen::MatrixXd vector_space_prepare(Eigen::MatrixXd const &vector_space,
                                     double tol);
 
}  // namespace SymRepTools_v2
 
}  // namespace CASM
 
#endif