Chemical Data Processing Library Python API - Version 1.1.1
CDPL
Chem
ElectronSystem
CDPL.Chem.ElectronSystem Member List
This is the complete list of members for
CDPL.Chem.ElectronSystem
, including all inherited members.
__contains__
(Atom atom)
CDPL.Chem.ElectronSystem
__getitem__
(int idx)
CDPL.Chem.ElectronSystem
__init__
()
CDPL.Chem.ElectronSystem
__init__
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
__len__
()
CDPL.Chem.ElectronSystem
addAtom
(Atom atom, int elec_contrib)
CDPL.Chem.ElectronSystem
addAtoms
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
assign
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
clear
()
CDPL.Chem.ElectronSystem
connected
(ElectronSystem elec_sys, BondContainer bonds)
CDPL.Chem.ElectronSystem
contains
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
containsAtom
(Atom atom)
CDPL.Chem.AtomContainer
getAtom
(int idx)
CDPL.Chem.AtomContainer
getAtomIndex
(Atom atom)
CDPL.Chem.AtomContainer
getElectronContrib
(Atom atom)
CDPL.Chem.ElectronSystem
getElectronContrib
(int atom)
CDPL.Chem.ElectronSystem
getEntity
(int idx)
CDPL.Chem.AtomContainer
getNumAtoms
()
CDPL.Chem.AtomContainer
getNumElectrons
()
CDPL.Chem.ElectronSystem
getNumEntities
()
CDPL.Chem.AtomContainer
getObjectID
()
CDPL.Chem.ElectronSystem
merge
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
numAtoms
(defined in
CDPL.Chem.AtomContainer
)
CDPL.Chem.AtomContainer
static
numElectrons
(defined in
CDPL.Chem.ElectronSystem
)
CDPL.Chem.ElectronSystem
static
numEntities
(defined in
CDPL.Chem.Entity3DContainer
)
CDPL.Chem.Entity3DContainer
static
objectID
(defined in
CDPL.Chem.ElectronSystem
)
CDPL.Chem.ElectronSystem
static
orderAtoms
(ForceField.InteractionFilterFunction2 func)
CDPL.Chem.AtomContainer
overlaps
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
removeAtom
(int idx)
CDPL.Chem.ElectronSystem
removeAtom
(Atom atom)
CDPL.Chem.ElectronSystem
setElectronContrib
(Atom atom, int elec_contrib)
CDPL.Chem.ElectronSystem
setElectronContrib
(int atom, int elec_contrib)
CDPL.Chem.ElectronSystem
swap
(ElectronSystem elec_sys)
CDPL.Chem.ElectronSystem
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