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