argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
calculatePEOE(AtomContainer &ac) | BALL::PartialChargeProcessor | |
const_argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
const_argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
data_folder_ | BALL::PartialChargeProcessor | private |
finish() | BALL::UnaryProcessor< AtomContainer > | inlinevirtual |
getabcFactors_(Atom *atom, float &a, float &b, float &c) | BALL::PartialChargeProcessor | private |
getElectronAffinity_(Element::AtomicNumber atomic_number, Size charge) | BALL::PartialChargeProcessor | private |
getIonizationEnergy_(Element::AtomicNumber atomic_number, Size charge) | BALL::PartialChargeProcessor | private |
operator()(AtomContainer &ac) | BALL::PartialChargeProcessor | virtual |
operator=(const PartialChargeProcessor &pc) | BALL::PartialChargeProcessor | |
PartialChargeProcessor() | BALL::PartialChargeProcessor | |
PartialChargeProcessor(const PartialChargeProcessor &pc) | BALL::PartialChargeProcessor | |
readElectronAffinities_(std::vector< float > &electron_affinities) | BALL::PartialChargeProcessor | private |
readIonizationEnergies_() | BALL::PartialChargeProcessor | private |
result_type typedef | BALL::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::PartialChargeProcessor | private |
~PartialChargeProcessor() | BALL::PartialChargeProcessor | virtual |
~UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | inlinevirtual |