BALL  1.4.79
BALL::GAFFTypeProcessor Member List

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

annotateAliphaticAndAromaticRingAtoms_()BALL::GAFFTypeProcessorprotected
annotateBondTypes_()BALL::GAFFTypeProcessorprotected
annotatePlanarRingAtoms_()BALL::GAFFTypeProcessorprotected
annotateRingSizes_()BALL::GAFFTypeProcessorprotected
argument_pointer typedefBALL::UnaryFunctor< Composite, Processor::Result >
argument_reference typedefBALL::UnaryFunctor< Composite, Processor::Result >
argument_type typedefBALL::UnaryFunctor< Composite, Processor::Result >
assignAtomtype_(Atom &atom)BALL::GAFFTypeProcessorprotected
atom_types_BALL::GAFFTypeProcessorprotected
ces_parsers_BALL::GAFFTypeProcessorprotected
const_argument_pointer typedefBALL::UnaryFunctor< Composite, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< Composite, Processor::Result >
current_molecule_BALL::GAFFTypeProcessorprotected
finish()BALL::UnaryProcessor< Composite >inlinevirtual
GAFFTypeProcessor()BALL::GAFFTypeProcessor
GAFFTypeProcessor(const Options &new_options)BALL::GAFFTypeProcessor
getCarbonTypes_()BALL::GAFFTypeProcessorinlineprotected
getHydrogenTypes_()BALL::GAFFTypeProcessorinlineprotected
getNitrogenTypes_()BALL::GAFFTypeProcessorinlineprotected
getOxygenTypes_()BALL::GAFFTypeProcessorinlineprotected
getSulfurTypes_()BALL::GAFFTypeProcessorinlineprotected
getTypeNames() constBALL::GAFFTypeProcessor
operator()(Composite &composite)BALL::GAFFTypeProcessorvirtual
optionsBALL::GAFFTypeProcessor
parseAtomtypeTableFile_()BALL::GAFFTypeProcessorprotected
planarAtom_(const Atom &atom)BALL::GAFFTypeProcessorprotected
postProcessAtomTypes_(Molecule *molecule)BALL::GAFFTypeProcessorprotected
precomputeAtomProperties_(Molecule *molecule)BALL::GAFFTypeProcessorprotected
precomputeBondProperties_(Molecule *molecule)BALL::GAFFTypeProcessorprotected
result_type typedefBALL::UnaryFunctor< Composite, Processor::Result >
sssr_BALL::GAFFTypeProcessorprotected
start()BALL::UnaryProcessor< Composite >inlinevirtual
UnaryProcessor()BALL::UnaryProcessor< Composite >inline
UnaryProcessor(const UnaryProcessor &)BALL::UnaryProcessor< Composite >inline
~GAFFTypeProcessor()BALL::GAFFTypeProcessorvirtual
~UnaryProcessor()BALL::UnaryProcessor< Composite >inlinevirtual