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 Details

    • getAtomContainer

      IAtomContainer getAtomContainer()
      IAtomContainer of which this ligand is part.
      Returns:
      the IAtomContainer
    • getCentralAtom

      IAtom getCentralAtom()
      The central IAtom to which this ligand is connected via one IBond.
      Returns:
      the central atom
    • getLigandAtom

      IAtom getLigandAtom()
      IAtom of the ligand that is connected to the central IAtom via one IBond.
      Returns:
      the ligand atom
    • getVisitedAtoms

      VisitedAtoms getVisitedAtoms()
      Returns a list of visitedAtoms.
      Returns:
      a VisitedAtoms list with visited atoms
    • isVisited

      boolean isVisited(IAtom atom)
      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