argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
argument_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
atom_type_smarts_ | BALL::HybridisationProcessor | [protected] |
AverageBondAngle_(Atom *a) | BALL::HybridisationProcessor | [protected] |
BALL_CREATE(HybridisationProcessor) | BALL::HybridisationProcessor | |
bond_angles_ | BALL::HybridisationProcessor | [protected] |
const_argument_pointer typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
const_argument_reference typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
elements_ | BALL::HybridisationProcessor | [protected] |
finish() | BALL::UnaryProcessor< AtomContainer > | [inline, virtual] |
getHybridisationMap() | BALL::HybridisationProcessor | [inline] |
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::HybridisationProcessor | [protected] |
operator()(AtomContainer &ac) | BALL::HybridisationProcessor | [virtual] |
operator=(const HybridisationProcessor &hp) | BALL::HybridisationProcessor | |
options | BALL::HybridisationProcessor | |
readAndInitBondAnglesFromFile_(const String &file_name="") | BALL::HybridisationProcessor | [protected] |
readAtomTypeSmartsFromFile_(const String &file_name="") | BALL::HybridisationProcessor | [protected] |
result_type typedef | BALL::UnaryFunctor< AtomContainer, Processor::Result > | |
setAtomTypeSmarts(const String &file_name) | BALL::HybridisationProcessor | |
setDefaultOptions() | BALL::HybridisationProcessor | |
start() | BALL::HybridisationProcessor | [virtual] |
UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | [inline] |
UnaryProcessor(const UnaryProcessor &) | BALL::UnaryProcessor< AtomContainer > | [inline] |
valid_ | BALL::HybridisationProcessor | [protected] |
~HybridisationProcessor() | BALL::HybridisationProcessor | [virtual] |
~UnaryProcessor() | BALL::UnaryProcessor< AtomContainer > | [inline, virtual] |