Class Ligand

java.lang.Object
org.openscience.cdk.geometry.cip.Ligand
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
  • Constructor Details

  • Method Details

    • getAtomContainer

      public IAtomContainer getAtomContainer()
      IAtomContainer of which this ligand is part.
      Specified by:
      getAtomContainer in interface ILigand
      Returns:
      the IAtomContainer
    • getCentralAtom

      public IAtom getCentralAtom()
      The central IAtom to which this ligand is connected via one IBond.
      Specified by:
      getCentralAtom in interface ILigand
      Returns:
      the central atom
    • getLigandAtom

      public IAtom getLigandAtom()
      IAtom of the ligand that is connected to the chiral IAtom via one IBond.
      Specified by:
      getLigandAtom in interface ILigand
      Returns:
      the ligand atom
    • getVisitedAtoms

      public VisitedAtoms getVisitedAtoms()
      Returns a list of visitedAtoms.
      Specified by:
      getVisitedAtoms in interface ILigand
      Returns:
      a VisitedAtoms list with visited atoms
    • isVisited

      public boolean isVisited(IAtom atom)
      Returns a true if the atom has been visited before.
      Specified by:
      isVisited in interface ILigand
      Parameters:
      atom - the atom to be analyzed
      Returns:
      true if the IAtom is the chiral atom, or part of the ligand