@TestClass(value="org.openscience.cdk.geometry.cip.LigandTest") public class Ligand extends Object implements ILigand
Constructor and Description |
---|
Ligand(IAtomContainer container,
VisitedAtoms visitedAtoms,
IAtom centralAtom,
IAtom ligandAtom) |
Modifier and Type | Method and Description |
---|---|
IAtomContainer |
getAtomContainer()
IAtomContainer of which this ligand is part. |
IAtom |
getCentralAtom()
|
IAtom |
getLigandAtom()
|
VisitedAtoms |
getVisitedAtoms()
Returns a list of visitedAtoms.
|
boolean |
isVisited(IAtom atom)
Returns a true if the atom has been visited before.
|
@TestMethod(value="testConstructorAndGetMethods") public Ligand(IAtomContainer container, VisitedAtoms visitedAtoms, IAtom centralAtom, IAtom ligandAtom)
@TestMethod(value="testConstructorAndGetMethods") public IAtomContainer getAtomContainer()
IAtomContainer
of which this ligand is part.getAtomContainer
in interface ILigand
@TestMethod(value="testConstructorAndGetMethods") public IAtom getCentralAtom()
getCentralAtom
in interface ILigand
@TestMethod(value="testConstructorAndGetMethods") public IAtom getLigandAtom()
getLigandAtom
in interface ILigand
@TestMethod(value="testVisitedTracking") public VisitedAtoms getVisitedAtoms()
ILigand
getVisitedAtoms
in interface ILigand
VisitedAtoms
list with visited atoms