Public Member Functions | |
| PointGroup (const std::string &Name) | |
| PointGroup (const char &LatticeType) | |
| PointGroup (const int &Kelement1, const std::vector< double > &Rmatrix1, const int &Kelement2, const std::vector< double > &Rmatrix2, const char &LatticeType) | |
| PointGroup (const bool SetLatticeGroup, const PointGroup &PG) | |
| bool | AddElement (const int &Kelement, const std::vector< double > &Rmatrix) |
| double | SetCell (const std::vector< double > &cellin, const scala::ReindexOp &reindex_op, const int &AllowI2) |
| bool | HasElement (const int &Kelement) const |
| bool | HasElement (const std::vector< double > &Rmatrix) const |
| std::vector< int > | Elements () const |
| int | NElements () const |
| std::string | RefLGname () const |
| std::string | LGname () const |
| std::string | RefPGname () const |
| scala::ReindexOp | RefSGreindex () const |
| std::string | RefSGreindexFormat () const |
| scala::ReindexOp | SGreindex () const |
| scala::ReindexOp | SGreindexOrig () const |
| CrystalSystem | crystal_system () const |
| double | Delta () const |
| std::vector< double > | TransformedCell () const |
| void | PrintAlternativeCells (phaser_io::Output &output, const bool &OutputXML, const float &max_delta, const int &AllowI2) const |
| int | OrderValue () const |
| bool | Equals (const PointGroup &other) const |
| bool | EqualsRef (const PointGroup &other) const |
| void | dump () const |
|
std::vector < scala::PossibleSpaceGroup > | TestSpaceGroupList (std::vector< scala::Zone > &Zones, const Chirality &chiral) const |
| std::vector< std::string > | SpaceGroupList (const Chirality chiral=scala::CHIRAL, const bool AllLattice=false) const |
| void | PrintAllSpacegroups (phaser_io::Output &output, const Chirality chiral=scala::CHIRAL, const bool AllLattice=false) const |
| void | SetCellDiff (const double &diff) |
| double | CellDiff () const |
| char | GetLatType () const |
| std::vector< scala::ReindexOp > | GetCloseCell (const scala::Scell &cell_target, const double &diff_tolerance, const bool &ExcludeIdentity, std::vector< double > &celldiff, const int &AllowI2) |
Friends | |
| bool | operator== (const PointGroup &a, const PointGroup &b) |
| bool | operator!= (const PointGroup &a, const PointGroup &b) |
| std::vector< scala::ReindexOp > | AlternativeIndexing (const PointGroup &PG, const bool &strict, const scala::Scell target_cell, const float &max_delta, const int &AllowI2) |
1.6.3
