|
Public Types |
| typedef self_type | types |
| typedef std::pair< int, ATOM::index_t > | monomer_atom_idx_t |
| typedef AtomIndexPair | bond_t |
| typedef AtomIndexTetrad | tetrad_t |
| typedef std::set< ATOM::index_t > | atom_container_t |
| typedef std::set< bond_t > | bond_container_t |
| typedef std::set< tetrad_t > | tetrad_container_t |
typedef boost::tuple< monomer_atom_idx_t,
monomer_atom_idx_t, monomer_atom_idx_t,
monomer_atom_idx_t > | torsion_atom_t |
Public Member Functions |
| atom_container_t | atoms (GROUP::index_t g, AtomGroupConcept::group_variant_container_t v) const |
| bond_container_t | bonds (GROUP::index_t g, AtomGroupConcept::group_variant_container_t v) const |
| tetrad_container_t | tetrads (GROUP::index_t g, AtomGroupConcept::group_variant_container_t v, monomer_atom_idx_t ma) const |
| torsion_atom_t | torsion_atoms (GROUP::index_t g, TORSION::index_t t) const |
Protected Types |
typedef std::map< monomer_atom_idx_t,
tetrad_container_t > | tetrad_map_t |
typedef std::map< TORSION::index_t,
torsion_atom_t > | torsion_atom_map_t |
typedef std::map< GROUP_VARIANT::index_t,
member_modifier_t > | member_modifier_map_t |
typedef std::map< GROUP::index_t,
modifiable_member_pattern_t > | member_map_t |
Protected Member Functions |
| virtual family_pattern_t & | family_pattern ()=0 |
| virtual const family_pattern_t & | family_pattern () const=0 |
| void | tetrad_helper (GROUP::index_t g, int i1, ATOM::index_t a1, int i2, ATOM::index_t a2, int i3, ATOM::index_t a3, int i4, ATOM::index_t a4, double l, double a, double d, bool r) |