BALL
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BALL
GAFFTypeProcessor
BALL::GAFFTypeProcessor Member List
This is the complete list of members for
BALL::GAFFTypeProcessor
, including all inherited members.
annotateAliphaticAndAromaticRingAtoms_
()
BALL::GAFFTypeProcessor
protected
annotateBondTypes_
()
BALL::GAFFTypeProcessor
protected
annotatePlanarRingAtoms_
()
BALL::GAFFTypeProcessor
protected
annotateRingSizes_
()
BALL::GAFFTypeProcessor
protected
argument_pointer
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
argument_reference
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
argument_type
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
assignAtomtype_
(Atom &atom)
BALL::GAFFTypeProcessor
protected
atom_types_
BALL::GAFFTypeProcessor
protected
ces_parsers_
BALL::GAFFTypeProcessor
protected
const_argument_pointer
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
const_argument_reference
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
current_molecule_
BALL::GAFFTypeProcessor
protected
finish
()
BALL::UnaryProcessor< Composite >
inline
virtual
GAFFTypeProcessor
()
BALL::GAFFTypeProcessor
GAFFTypeProcessor
(const Options &new_options)
BALL::GAFFTypeProcessor
getCarbonTypes_
()
BALL::GAFFTypeProcessor
inline
protected
getHydrogenTypes_
()
BALL::GAFFTypeProcessor
inline
protected
getNitrogenTypes_
()
BALL::GAFFTypeProcessor
inline
protected
getOxygenTypes_
()
BALL::GAFFTypeProcessor
inline
protected
getSulfurTypes_
()
BALL::GAFFTypeProcessor
inline
protected
getTypeNames
() const
BALL::GAFFTypeProcessor
operator()
(Composite &composite)
BALL::GAFFTypeProcessor
virtual
options
BALL::GAFFTypeProcessor
parseAtomtypeTableFile_
()
BALL::GAFFTypeProcessor
protected
planarAtom_
(const Atom &atom)
BALL::GAFFTypeProcessor
protected
postProcessAtomTypes_
(Molecule *molecule)
BALL::GAFFTypeProcessor
protected
precomputeAtomProperties_
(Molecule *molecule)
BALL::GAFFTypeProcessor
protected
precomputeBondProperties_
(Molecule *molecule)
BALL::GAFFTypeProcessor
protected
result_type
typedef
BALL::UnaryFunctor< Composite, Processor::Result >
sssr_
BALL::GAFFTypeProcessor
protected
start
()
BALL::UnaryProcessor< Composite >
inline
virtual
UnaryProcessor
()
BALL::UnaryProcessor< Composite >
inline
UnaryProcessor
(const UnaryProcessor &)
BALL::UnaryProcessor< Composite >
inline
~GAFFTypeProcessor
()
BALL::GAFFTypeProcessor
virtual
~UnaryProcessor
()
BALL::UnaryProcessor< Composite >
inline
virtual
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