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 Details

    • 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
    • clone

      Returns a deep clone of this IChemObject.
      Specified by:
      clone in interface IAtomContainer
      Specified by:
      clone in interface IChemObject
      Returns:
      Object the clone of this IChemObject.
      Throws:
      CloneNotSupportedException - if the IChemObject cannot be cloned