Package org.openscience.cdk.interfaces

Interface IRing

  • All Superinterfaces:
    Cloneable, IAtomContainer, ICDKObject, IChemObject, IChemObjectListener
    All Known Implementing Classes:
    DebugRing, Ring, Ring
    public interface IRing
extends IAtomContainer
    Class representing a ring structure in a molecule. A ring is a linear sequence of N atoms interconnected to each other by covalent bonds, such that atom i (1 < i < N) is bonded to atom i-1 and atom i + 1 and atom 1 is bonded to atom N and atom 2.
    Source code:
    main
    Belongs to CDK module:
    interfaces
    Keywords:
    ring

    • Method Detail

      • getRingSize

        int getRingSize()
        Returns the number of atoms/bonds in this ring.
        Returns:
        The number of atoms/bonds in this ring

      • getNextBond

        IBond getNextBond​(IBond bond,
                  IAtom atom)
        Returns the next bond in order, relative to a given bond and atom. Example: Let the ring be composed of 0-1, 1-2, 2-3 and 3-0. A request getNextBond(1-2, 2) will return Bond 2-3.
        Parameters:
        bond - A bond for which an atom from a consecutive bond is sought
        atom - A atom from the bond above to assign a search direction
        Returns:
        The next bond in the order given by the above assignment

      • getBondOrderSum

        int getBondOrderSum()
        Returns the sum of all bond orders in the ring.
        Returns:
        the sum of all bond orders in the ring