Package org.openscience.cdk.geometry.cip
Interface ILigand
- 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
-
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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Method Details
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getAtomContainer
IAtomContainer getAtomContainer()IAtomContainer
of which this ligand is part.- Returns:
- the IAtomContainer
-
getCentralAtom
IAtom getCentralAtom()- Returns:
- the central atom
-
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
-
isVisited
Returns a true if the atom has been visited before.- Parameters:
atom
- the atom to be analyzed- Returns:
- true if the
IAtom
is the chiral atom, or part of the ligand
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