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MMFF94ChargeProcessor Member List

This is the complete list of members for MMFF94ChargeProcessor, including all inherited members.

argument_pointer typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
argument_reference typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
argument_type typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
aromatic_rings_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
assignFormalCharge(Atom &atom) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
assignPartialCharges_() (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
atoms_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
clear() (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [virtual]
const_argument_pointer typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
const_argument_reference typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
es_parameters_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
finish()MMFF94ChargeProcessor [virtual]
getUnassignedAtoms() (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
MMFF94ChargeProcessor() (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
MMFF94ChargeProcessor(const MMFF94ChargeProcessor &cp) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
operator()(Atom &atom)MMFF94ChargeProcessor [virtual]
operator=(const MMFF94ChargeProcessor &cp) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
result_type typedef (defined in UnaryFunctor< Atom, Processor::Result >)UnaryFunctor< Atom, Processor::Result >
rule_types_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
setAromaticRings(const vector< HashSet< Atom * > > &rings) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
setESParameters(const MMFF94ESParameters &es) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
setup(const String &filename) (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor
start()MMFF94ChargeProcessor [virtual]
types_to_charges_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
UnaryProcessor()UnaryProcessor< Atom >
UnaryProcessor(const UnaryProcessor &)UnaryProcessor< Atom >
unassigned_atoms_ (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [protected]
~MMFF94ChargeProcessor() (defined in MMFF94ChargeProcessor)MMFF94ChargeProcessor [virtual]
~UnaryProcessor()UnaryProcessor< Atom > [virtual]