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 Detail

      • 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