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::MMFF94ChargeProcessor [protected]
assignFormalCharge(Atom &atom)BALL::MMFF94ChargeProcessor
assignPartialCharges_()BALL::MMFF94ChargeProcessor [protected]
atoms_BALL::MMFF94ChargeProcessor [protected]
clear()BALL::MMFF94ChargeProcessor [virtual]
const_argument_pointer typedefBALL::UnaryFunctor< Atom, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< Atom, Processor::Result >
es_parameters_BALL::MMFF94ChargeProcessor [protected]
finish()BALL::MMFF94ChargeProcessor [virtual]
getUnassignedAtoms()BALL::MMFF94ChargeProcessor [inline]
MMFF94ChargeProcessor()BALL::MMFF94ChargeProcessor
MMFF94ChargeProcessor(const MMFF94ChargeProcessor &cp)BALL::MMFF94ChargeProcessor
operator()(Atom &atom)BALL::MMFF94ChargeProcessor [virtual]
operator=(const MMFF94ChargeProcessor &cp)BALL::MMFF94ChargeProcessor
result_type typedefBALL::UnaryFunctor< Atom, Processor::Result >
rule_types_BALL::MMFF94ChargeProcessor [protected]
setAromaticRings(const vector< HashSet< Atom * > > &rings)BALL::MMFF94ChargeProcessor [inline]
setESParameters(const MMFF94ESParameters &es)BALL::MMFF94ChargeProcessor [inline]
setup(const String &filename)BALL::MMFF94ChargeProcessor
start()BALL::MMFF94ChargeProcessor [virtual]
types_to_charges_BALL::MMFF94ChargeProcessor [protected]
UnaryProcessor()BALL::UnaryProcessor< Atom > [inline]
UnaryProcessor(const UnaryProcessor &)BALL::UnaryProcessor< Atom > [inline]
unassigned_atoms_BALL::MMFF94ChargeProcessor [protected]
~MMFF94ChargeProcessor()BALL::MMFF94ChargeProcessor [inline, virtual]
~UnaryProcessor()BALL::UnaryProcessor< Atom > [inline, virtual]