Main Page
Related Pages
Modules
Namespaces
Classes
Files
Class List
Class Index
Class Hierarchy
Class Members
BALL::HybridisationProcessor Member List
This is the complete list of members for
BALL::HybridisationProcessor
, including all inherited members.
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]
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Properties
Friends
Defines
Generated by
1.6.3