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BALL::MMFF94ChargeProcessor Member List

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

argument_pointer typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
argument_reference typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
argument_type typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
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 typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
const_argument_reference typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
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 typedef | BALL::UnaryFunctor< ArgumentType, ResultType > |
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