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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_times | BALL::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