Package org.openscience.cdk.geometry.cip
Class Ligand
java.lang.Object
org.openscience.cdk.geometry.cip.Ligand
- All Implemented Interfaces:
ILigand
- Direct Known Subclasses:
ImplicitHydrogenLigand
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
ConstructorsConstructorDescriptionLigand
(IAtomContainer container, VisitedAtoms visitedAtoms, IAtom centralAtom, IAtom ligandAtom) -
Method Summary
Modifier and TypeMethodDescriptionIAtomContainer
of which this ligand is part.Returns a list of visitedAtoms.boolean
Returns a true if the atom has been visited before.
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Constructor Details
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Ligand
public Ligand(IAtomContainer container, VisitedAtoms visitedAtoms, IAtom centralAtom, IAtom ligandAtom)
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Method Details
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getAtomContainer
IAtomContainer
of which this ligand is part.- Specified by:
getAtomContainer
in interfaceILigand
- Returns:
- the IAtomContainer
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getCentralAtom
- Specified by:
getCentralAtom
in interfaceILigand
- Returns:
- the central atom
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getLigandAtom
- Specified by:
getLigandAtom
in interfaceILigand
- Returns:
- the ligand atom
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getVisitedAtoms
Returns a list of visitedAtoms.- Specified by:
getVisitedAtoms
in interfaceILigand
- Returns:
- a
VisitedAtoms
list with visited atoms
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isVisited
Returns a true if the atom has been visited before.
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