Class RingSet

    • Field Detail

      • LARGE_FIRST

        public static final int LARGE_FIRST
        Flag to denote that the set is order with the largest ring first?
        See Also:
        Constant Field Values
      • SMALL_FIRST

        public static final int SMALL_FIRST
        Flag to denote that the set is order with the smallest ring first?
        See Also:
        Constant Field Values
    • Constructor Detail

      • RingSet

        public RingSet()
        The constructor.
    • Method Detail

      • getRings

        public IRingSet getRings​(IBond bond)
        Returns a vector of all rings that this bond is part of.
        Specified by:
        getRings in interface IRingSet
        Parameters:
        bond - The bond to be checked
        Returns:
        A vector of all rings that this bond is part of
      • getRings

        public IRingSet getRings​(IAtom atom)
        Returns a vector of all rings that this atom is part of.
        Specified by:
        getRings in interface IRingSet
        Parameters:
        atom - The atom to be checked
        Returns:
        A vector of all rings that this bond is part of
      • getConnectedRings

        public IRingSet getConnectedRings​(IRing ring)
        Returns all the rings in the RingSet that share one or more atoms with a given ring.
        Specified by:
        getConnectedRings in interface IRingSet
        Parameters:
        ring - A ring with which all return rings must share one or more atoms
        Returns:
        All the rings that share one or more atoms with a given ring.
      • contains

        public boolean contains​(IAtom atom)
        True, if at least one of the rings in the ringset contains the given atom.
        Specified by:
        contains in interface IRingSet
        Parameters:
        atom - Atom to check
        Returns:
        true, if the ringset contains the atom
      • contains

        public boolean contains​(IAtomContainer ring)
        Checks for presence of a ring in this RingSet.
        Specified by:
        contains in interface IRingSet
        Parameters:
        ring - The ring to check
        Returns:
        true if ring is part of RingSet