Package | Description |
---|---|
org.openscience.cdk.geometry.cip |
Modifier and Type | Method and Description |
---|---|
VisitedAtoms |
Ligand.getVisitedAtoms()
Returns a list of visitedAtoms.
|
VisitedAtoms |
ILigand.getVisitedAtoms()
Returns a list of visitedAtoms.
|
Modifier and Type | Method and Description |
---|---|
static ILigand |
CIPTool.defineLigand(IAtomContainer container,
VisitedAtoms visitedAtoms,
int chiralAtom,
int ligandAtom)
Creates a ligand attached to a single chiral atom, where the involved
atoms are identified by there index in the
IAtomContainer . |
void |
VisitedAtoms.visited(VisitedAtoms visitedAtoms)
Adds all atoms from the
visitedAtoms list to the current
list. |
Constructor and Description |
---|
ImplicitHydrogenLigand(IAtomContainer container,
VisitedAtoms visitedAtoms,
IAtom centralAtom) |
Ligand(IAtomContainer container,
VisitedAtoms visitedAtoms,
IAtom centralAtom,
IAtom ligandAtom) |
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