BALL::MMFF94AtomTyper Member List

This is the complete list of members for BALL::MMFF94AtomTyper, including all inherited members.
aromatic_rings_BALL::AtomTyper [protected]
aromatic_types_5_map_BALL::MMFF94AtomTyper [protected]
assignAromaticType_5_(Atom &atom, Position L5, bool anion, bool cation)BALL::MMFF94AtomTyper [protected]
assignSpecificValues_(Atom &)BALL::AtomTyper [inline, protected, virtual]
assignTo(System &s)BALL::MMFF94AtomTyper [virtual]
BALL::AtomTyper::assignTo(Molecule &mol)BALL::AtomTyper [protected]
atom_types_BALL::MMFF94AtomTyper [protected]
atoms_BALL::AtomTyper [protected]
AtomTyper()BALL::AtomTyper
AtomTyper(const AtomTyper &t)BALL::AtomTyper
cation_atoms_BALL::MMFF94AtomTyper [protected]
collectHeteroAtomTypes(const MMFF94AtomTypes &atom_types)BALL::MMFF94AtomTyper
element_to_rules_BALL::AtomTyper [protected]
fields_BALL::AtomTyper [protected]
hetero_atom_types_BALL::MMFF94AtomTyper [protected]
id_to_type_BALL::MMFF94AtomTyper [protected]
MMFF94AtomTyper()BALL::MMFF94AtomTyper
MMFF94AtomTyper(const MMFF94AtomTyper &t)BALL::MMFF94AtomTyper
names_BALL::AtomTyper [protected]
number_expected_fields_BALL::AtomTyper [protected]
partner_type_to_htype_BALL::MMFF94AtomTyper [protected]
rings_BALL::AtomTyper [protected]
rule_timesBALL::AtomTyper [static]
rules_BALL::AtomTyper [protected]
setAromaticRings(const vector< HashSet< Atom * > > &rings)BALL::AtomTyper [inline]
setRings(const vector< HashSet< Atom * > > &rings)BALL::AtomTyper [inline]
setup(const String &filename)BALL::AtomTyper
setupAromaticTypes(Parameters &p, const String &section)BALL::MMFF94AtomTyper [virtual]
setupHydrogenTypes(Parameters &p, const String &section)BALL::MMFF94AtomTyper [virtual]
setupSymbolsToTypes(Parameters &p, const String &section)BALL::MMFF94AtomTyper [virtual]
specificSetup_()BALL::AtomTyper [inline, protected, virtual]
types_BALL::AtomTyper [protected]
~AtomTyper()BALL::AtomTyper [inline, virtual]
~MMFF94AtomTyper()BALL::MMFF94AtomTyper [inline, virtual]