BALL  1.4.79
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BALL::MMFF94ChargeProcessor Member List

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

argument_pointer typedefBALL::UnaryFunctor< Atom, Processor::Result >
argument_reference typedefBALL::UnaryFunctor< Atom, Processor::Result >
argument_type typedefBALL::UnaryFunctor< Atom, Processor::Result >
aromatic_rings_BALL::MMFF94ChargeProcessorprotected
assignFormalCharge(Atom &atom)BALL::MMFF94ChargeProcessor
assignPartialCharges_()BALL::MMFF94ChargeProcessorprotected
atoms_BALL::MMFF94ChargeProcessorprotected
clear()BALL::MMFF94ChargeProcessorvirtual
const_argument_pointer typedefBALL::UnaryFunctor< Atom, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< Atom, Processor::Result >
es_parameters_BALL::MMFF94ChargeProcessorprotected
finish()BALL::MMFF94ChargeProcessorvirtual
getUnassignedAtoms()BALL::MMFF94ChargeProcessorinline
MMFF94ChargeProcessor()BALL::MMFF94ChargeProcessor
MMFF94ChargeProcessor(const MMFF94ChargeProcessor &cp)BALL::MMFF94ChargeProcessor
operator()(Atom &atom)BALL::MMFF94ChargeProcessorvirtual
operator=(const MMFF94ChargeProcessor &cp)BALL::MMFF94ChargeProcessor
result_type typedefBALL::UnaryFunctor< Atom, Processor::Result >
rule_types_BALL::MMFF94ChargeProcessorprotected
setAromaticRings(const vector< HashSet< Atom * > > &rings)BALL::MMFF94ChargeProcessorinline
setESParameters(const MMFF94ESParameters &es)BALL::MMFF94ChargeProcessorinline
setup(const String &filename)BALL::MMFF94ChargeProcessor
start()BALL::MMFF94ChargeProcessorvirtual
types_to_charges_BALL::MMFF94ChargeProcessorprotected
UnaryProcessor()BALL::UnaryProcessor< Atom >inline
UnaryProcessor(const UnaryProcessor &)BALL::UnaryProcessor< Atom >inline
unassigned_atoms_BALL::MMFF94ChargeProcessorprotected
~MMFF94ChargeProcessor()BALL::MMFF94ChargeProcessorinlinevirtual
~UnaryProcessor()BALL::UnaryProcessor< Atom >inlinevirtual
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