Package org.openscience.cdk.geometry.cip
Interface ILigand
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- All Known Implementing Classes:
ImplicitHydrogenLigand
,Ligand
public interface ILigand
Concept 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 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.
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Method Detail
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getAtomContainer
IAtomContainer getAtomContainer()
IAtomContainer
of 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
VisitedAtoms
list with visited atoms
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