BALL  1.4.79
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BALL::HybridisationProcessor Member List

This is the complete list of members for BALL::HybridisationProcessor, 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 >
atom_type_smarts_BALL::HybridisationProcessorprotected
AverageBondAngle_(Atom *a)BALL::HybridisationProcessorprotected
BALL_CREATE(HybridisationProcessor)BALL::HybridisationProcessor
bond_angles_BALL::HybridisationProcessorprotected
const_argument_pointer typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
const_argument_reference typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
elements_BALL::HybridisationProcessorprotected
finish()BALL::UnaryProcessor< AtomContainer >inlinevirtual
getHybridisationMap()BALL::HybridisationProcessorinline
getNumberOfHybridisationStatesSet()BALL::HybridisationProcessor
HybridisationProcessor()BALL::HybridisationProcessor
HybridisationProcessor(const HybridisationProcessor &hp)BALL::HybridisationProcessor
HybridisationProcessor(const String &smarts_file_name, const String &ff_file_name)BALL::HybridisationProcessor
num_hybridisation_states_BALL::HybridisationProcessorprotected
operator()(AtomContainer &ac)BALL::HybridisationProcessorvirtual
operator=(const HybridisationProcessor &hp)BALL::HybridisationProcessor
optionsBALL::HybridisationProcessor
readAndInitBondAnglesFromFile_(const String &file_name="")BALL::HybridisationProcessorprotected
readAtomTypeSmartsFromFile_(const String &file_name="")BALL::HybridisationProcessorprotected
result_type typedefBALL::UnaryFunctor< AtomContainer, Processor::Result >
setAtomTypeSmarts(const String &file_name)BALL::HybridisationProcessor
setDefaultOptions()BALL::HybridisationProcessor
start()BALL::HybridisationProcessorvirtual
UnaryProcessor()BALL::UnaryProcessor< AtomContainer >inline
UnaryProcessor(const UnaryProcessor &)BALL::UnaryProcessor< AtomContainer >inline
valid_BALL::HybridisationProcessorprotected
~HybridisationProcessor()BALL::HybridisationProcessorvirtual
~UnaryProcessor()BALL::UnaryProcessor< AtomContainer >inlinevirtual
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