BALL  1.4.79
BALL::MMFF94AtomTyper Member List

This is the complete list of members for BALL::MMFF94AtomTyper, including all inherited members.

aromatic_rings_BALL::AtomTyperprotected
aromatic_types_5_map_BALL::MMFF94AtomTyperprotected
assignAromaticType_5_(Atom &atom, Position L5, bool anion, bool cation)BALL::MMFF94AtomTyperprotected
assignSpecificValues_(Atom &)BALL::AtomTyperinlineprotectedvirtual
assignTo(System &s)BALL::MMFF94AtomTypervirtual
BALL::AtomTyper::assignTo(Molecule &mol)BALL::AtomTyperprotected
atom_types_BALL::MMFF94AtomTyperprotected
atoms_BALL::AtomTyperprotected
AtomTyper()BALL::AtomTyper
AtomTyper(const AtomTyper &t)BALL::AtomTyper
cation_atoms_BALL::MMFF94AtomTyperprotected
collectHeteroAtomTypes(const MMFF94AtomTypes &atom_types)BALL::MMFF94AtomTyper
element_to_rules_BALL::AtomTyperprotected
fields_BALL::AtomTyperprotected
hetero_atom_types_BALL::MMFF94AtomTyperprotected
id_to_type_BALL::MMFF94AtomTyperprotected
MMFF94AtomTyper()BALL::MMFF94AtomTyper
MMFF94AtomTyper(const MMFF94AtomTyper &t)BALL::MMFF94AtomTyper
names_BALL::AtomTyperprotected
number_expected_fields_BALL::AtomTyperprotected
partner_type_to_htype_BALL::MMFF94AtomTyperprotected
rings_BALL::AtomTyperprotected
rule_timesBALL::AtomTyperstatic
rules_BALL::AtomTyperprotected
setAromaticRings(const vector< HashSet< Atom *> > &rings)BALL::AtomTyperinline
setRings(const vector< HashSet< Atom *> > &rings)BALL::AtomTyperinline
setup(const String &filename)BALL::AtomTyper
setupAromaticTypes(Parameters &p, const String &section)BALL::MMFF94AtomTypervirtual
setupHydrogenTypes(Parameters &p, const String &section)BALL::MMFF94AtomTypervirtual
setupSymbolsToTypes(Parameters &p, const String &section)BALL::MMFF94AtomTypervirtual
specificSetup_()BALL::AtomTyperinlineprotectedvirtual
types_BALL::AtomTyperprotected
~AtomTyper()BALL::AtomTyperinlinevirtual
~MMFF94AtomTyper()BALL::MMFF94AtomTyperinlinevirtual