Chemical Data Processing Library Python API - Version 1.1.1
CDPL
Chem
MolecularGraph
CDPL.Chem.MolecularGraph Member List
This is the complete list of members for
CDPL.Chem.MolecularGraph
, including all inherited members.
__contains__
(Atom atom)
CDPL.Chem.MolecularGraph
__contains__
(Bond bond)
CDPL.Chem.MolecularGraph
__contains__
(Base.LookupKey key)
CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__contains__
(LookupKey key)
CDPL.Base.PropertyContainer
__delitem__
(Base.LookupKey key)
CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__delitem__
(LookupKey key)
CDPL.Base.PropertyContainer
__getitem__
(Base.LookupKey key)
CDPL.Chem.MolecularGraph
CDPL::Chem::AtomContainer.__getitem__
(int idx)
CDPL.Chem.AtomContainer
CDPL::Chem::BondContainer.__getitem__
(int idx)
CDPL.Chem.BondContainer
CDPL::Base::PropertyContainer.__getitem__
(LookupKey key)
CDPL.Base.PropertyContainer
__init__
()
CDPL.Chem.MolecularGraph
__len__
()
CDPL.Chem.MolecularGraph
__setitem__
(Base.LookupKey key, Base.Any value)
CDPL.Chem.MolecularGraph
CDPL::Base::PropertyContainer.__setitem__
(LookupKey key, Any value)
CDPL.Base.PropertyContainer
addProperties
(PropertyContainer cntnr)
CDPL.Base.PropertyContainer
atoms
(defined in
CDPL.Chem.MolecularGraph
)
CDPL.Chem.MolecularGraph
static
bonds
(defined in
CDPL.Chem.MolecularGraph
)
CDPL.Chem.MolecularGraph
static
clearProperties
()
CDPL.Base.PropertyContainer
clone
()
CDPL.Chem.MolecularGraph
containsAtom
(Atom atom)
CDPL.Chem.MolecularGraph
containsBond
(Bond bond)
CDPL.Chem.MolecularGraph
copyProperties
(PropertyContainer cntnr)
CDPL.Base.PropertyContainer
getAtom
(int idx)
CDPL.Chem.MolecularGraph
getAtomIndex
(Atom atom)
CDPL.Chem.MolecularGraph
getAtoms
()
CDPL.Chem.MolecularGraph
getBond
(int idx)
CDPL.Chem.MolecularGraph
getBondIndex
(Bond bond)
CDPL.Chem.MolecularGraph
getBonds
()
CDPL.Chem.MolecularGraph
getEntity
(int idx)
CDPL.Chem.MolecularGraph
getNumAtoms
()
CDPL.Chem.MolecularGraph
getNumBonds
()
CDPL.Chem.MolecularGraph
getNumEntities
()
CDPL.Chem.MolecularGraph
getNumProperties
()
CDPL.Base.PropertyContainer
CDPL::Chem::AtomContainer.getObjectID
()
CDPL.Chem.Entity3DContainer
CDPL::Chem::BondContainer.getObjectID
()
CDPL.Chem.BondContainer
CDPL::Base::PropertyContainer.getObjectID
()
CDPL.Base.PropertyContainer
getProperties
()
CDPL.Base.PropertyContainer
getProperty
(LookupKey key, bool throw_=False)
CDPL.Base.PropertyContainer
getPropertyKeys
()
CDPL.Base.PropertyContainer
getPropertyOrDefault
(LookupKey key, Any def_value)
CDPL.Base.PropertyContainer
getPropertyValues
()
CDPL.Base.PropertyContainer
isPropertySet
(LookupKey key)
CDPL.Base.PropertyContainer
numAtoms
(defined in
CDPL.Chem.AtomContainer
)
CDPL.Chem.AtomContainer
static
numBonds
(defined in
CDPL.Chem.BondContainer
)
CDPL.Chem.BondContainer
static
numEntities
(defined in
CDPL.Chem.Entity3DContainer
)
CDPL.Chem.Entity3DContainer
static
numProperties
(defined in
CDPL.Base.PropertyContainer
)
CDPL.Base.PropertyContainer
static
objectID
(defined in
CDPL.Chem.Entity3DContainer
)
CDPL.Chem.Entity3DContainer
static
objectID
(defined in
CDPL.Chem.BondContainer
)
CDPL.Chem.BondContainer
static
objectID
(defined in
CDPL.Base.PropertyContainer
)
CDPL.Base.PropertyContainer
static
orderAtoms
(ForceField.InteractionFilterFunction2 func)
CDPL.Chem.MolecularGraph
orderBonds
(BoolBond2Functor func)
CDPL.Chem.MolecularGraph
properties
(defined in
CDPL.Base.PropertyContainer
)
CDPL.Base.PropertyContainer
static
propertyKeys
(defined in
CDPL.Base.PropertyContainer
)
CDPL.Base.PropertyContainer
static
propertyValues
(defined in
CDPL.Base.PropertyContainer
)
CDPL.Base.PropertyContainer
static
removeProperty
(LookupKey key)
CDPL.Base.PropertyContainer
setProperty
(LookupKey key, Any value)
CDPL.Base.PropertyContainer
swap
(PropertyContainer cntnr)
CDPL.Base.PropertyContainer
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