BALL  1.4.2
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BALL::PartialChargeProcessor Member List

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

argument_pointer typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_reference typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
argument_type typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
calculatePEOE(AtomContainer &ac)BALL::PartialChargeProcessor
const_argument_pointer typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
data_folder_BALL::PartialChargeProcessorprivate
finish()BALL::UnaryProcessor< AtomContainer >inlinevirtual
getabcFactors_(Atom *atom, float &a, float &b, float &c)BALL::PartialChargeProcessorprivate
getElectronAffinity_(Element::AtomicNumber atomic_number, Size charge)BALL::PartialChargeProcessorprivate
getIonizationEnergy_(Element::AtomicNumber atomic_number, Size charge)BALL::PartialChargeProcessorprivate
operator()(AtomContainer &ac)BALL::PartialChargeProcessorvirtual
operator=(const PartialChargeProcessor &pc)BALL::PartialChargeProcessor
PartialChargeProcessor()BALL::PartialChargeProcessor
PartialChargeProcessor(const PartialChargeProcessor &pc)BALL::PartialChargeProcessor
readElectronAffinities_(std::vector< float > &electron_affinities)BALL::PartialChargeProcessorprivate
readIonizationEnergies_()BALL::PartialChargeProcessorprivate
result_type typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
setDataFolder(const char *folder)BALL::PartialChargeProcessor
start()BALL::UnaryProcessor< AtomContainer >inlinevirtual
UnaryProcessor()BALL::UnaryProcessor< AtomContainer >inline
UnaryProcessor(const UnaryProcessor &)BALL::UnaryProcessor< AtomContainer >inline
warned_elements_BALL::PartialChargeProcessorprivate
~PartialChargeProcessor()BALL::PartialChargeProcessorvirtual
~UnaryProcessor()BALL::UnaryProcessor< AtomContainer >inlinevirtual