Package org.openscience.cdk.geometry.cip
Interface ILigand
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- All Known Implementing Classes:
ImplicitHydrogenLigand,Ligand
public interface ILigandConcept of a ligand in CIP terms, reflecting a side chain of a central atom that can have precedence over another.- Source code:
- main
- Belongs to CDK module:
- cip
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description IAtomContainergetAtomContainer()IAtomContainerof which this ligand is part.IAtomgetCentralAtom()IAtomgetLigandAtom()VisitedAtomsgetVisitedAtoms()Returns a list of visitedAtoms.booleanisVisited(IAtom atom)Returns a true if the atom has been visited before.
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Method Detail
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getAtomContainer
IAtomContainer getAtomContainer()
IAtomContainerof which this ligand is part.- Returns:
- the IAtomContainer
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getCentralAtom
IAtom getCentralAtom()
- Returns:
- the central atom
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getLigandAtom
IAtom getLigandAtom()
- Returns:
- the ligand atom
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getVisitedAtoms
VisitedAtoms getVisitedAtoms()
Returns a list of visitedAtoms.- Returns:
- a
VisitedAtomslist with visited atoms
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