Chemical Data Processing Library Python API - Version 1.1.1
CDPL
Chem
Fragment
CDPL.Chem.Fragment Member List
This is the complete list of members for
CDPL.Chem.Fragment
, including all inherited members.
__contains__
(Atom atom)
CDPL.Chem.Fragment
__contains__
(Bond bond)
CDPL.Chem.Fragment
__contains__
(Base.LookupKey key)
CDPL.Chem.Fragment
CDPL::Base::PropertyContainer.__contains__
(LookupKey key)
CDPL.Base.PropertyContainer
__delitem__
(Base.LookupKey key)
CDPL.Chem.Fragment
CDPL::Base::PropertyContainer.__delitem__
(LookupKey key)
CDPL.Base.PropertyContainer
__getitem__
(Base.LookupKey key)
CDPL.Chem.Fragment
CDPL::Chem::MolecularGraph.CDPL::Chem::AtomContainer.__getitem__
(int idx)
CDPL.Chem.AtomContainer
CDPL::Chem::MolecularGraph.CDPL::Chem::BondContainer.__getitem__
(int idx)
CDPL.Chem.BondContainer
CDPL::Base::PropertyContainer.__getitem__
(LookupKey key)
CDPL.Base.PropertyContainer
__iadd__
(MolecularGraph molgraph)
CDPL.Chem.Fragment
__init__
()
CDPL.Chem.Fragment
__init__
(Fragment frag)
CDPL.Chem.Fragment
__init__
(MolecularGraph molgraph)
CDPL.Chem.Fragment
__isub__
(MolecularGraph molgraph)
CDPL.Chem.Fragment
__len__
()
CDPL.Chem.Fragment
__setitem__
(Base.LookupKey key, Base.Any value)
CDPL.Chem.Fragment
CDPL::Base::PropertyContainer.__setitem__
(LookupKey key, Any value)
CDPL.Base.PropertyContainer
addAtom
(Atom atom)
CDPL.Chem.Fragment
addBond
(Bond bond)
CDPL.Chem.Fragment
addProperties
(PropertyContainer cntnr)
CDPL.Base.PropertyContainer
assign
(Fragment frag)
CDPL.Chem.Fragment
assign
(MolecularGraph molgraph)
CDPL.Chem.Fragment
atoms
(defined in
CDPL.Chem.Fragment
)
CDPL.Chem.Fragment
static
bonds
(defined in
CDPL.Chem.Fragment
)
CDPL.Chem.Fragment
static
clear
()
CDPL.Chem.Fragment
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.Fragment
getBond
(int idx)
CDPL.Chem.MolecularGraph
getBondIndex
(Bond bond)
CDPL.Chem.MolecularGraph
getBonds
()
CDPL.Chem.Fragment
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
removeAtom
(int idx)
CDPL.Chem.Fragment
removeAtom
(Atom atom)
CDPL.Chem.Fragment
removeBond
(int idx)
CDPL.Chem.Fragment
removeBond
(Bond bond)
CDPL.Chem.Fragment
removeProperty
(LookupKey key)
CDPL.Base.PropertyContainer
reserveMemoryForAtoms
(int num_atoms)
CDPL.Chem.Fragment
reserveMemoryForBonds
(int num_bonds)
CDPL.Chem.Fragment
setProperty
(LookupKey key, Any value)
CDPL.Base.PropertyContainer
swap
(Fragment frag)
CDPL.Chem.Fragment
CDPL::Chem::MolecularGraph.swap
(PropertyContainer cntnr)
CDPL.Base.PropertyContainer
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