Package org.openscience.cdk.geometry.cip
Class Ligand
- java.lang.Object
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- org.openscience.cdk.geometry.cip.Ligand
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- All Implemented Interfaces:
ILigand
- Direct Known Subclasses:
ImplicitHydrogenLigand
public class Ligand extends Object implements 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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Constructor Summary
Constructors Constructor Description Ligand(IAtomContainer container, VisitedAtoms visitedAtoms, IAtom centralAtom, IAtom ligandAtom)
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Method Summary
All Methods Instance Methods Concrete 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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Constructor Detail
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Ligand
public Ligand(IAtomContainer container, VisitedAtoms visitedAtoms, IAtom centralAtom, IAtom ligandAtom)
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Method Detail
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getAtomContainer
public IAtomContainer getAtomContainer()
IAtomContainer
of which this ligand is part.- Specified by:
getAtomContainer
in interfaceILigand
- Returns:
- the IAtomContainer
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getCentralAtom
public IAtom getCentralAtom()
- Specified by:
getCentralAtom
in interfaceILigand
- Returns:
- the central atom
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getLigandAtom
public IAtom getLigandAtom()
- Specified by:
getLigandAtom
in interfaceILigand
- Returns:
- the ligand atom
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getVisitedAtoms
public VisitedAtoms getVisitedAtoms()
Returns a list of visitedAtoms.- Specified by:
getVisitedAtoms
in interfaceILigand
- Returns:
- a
VisitedAtoms
list with visited atoms
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