Class DeAromatizationTool


  • @Deprecated
    public class DeAromatizationTool
    extends Object
    Deprecated.
    the newer Kekulization provides a faster, more generic and comprehensive algorithm.
    Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.
    Author:
    seb
    Source code:
    main
    Belongs to CDK module:
    extra
    Keywords:
    aromatic ring, bond order adjustment
    Created on:
    13. April 2005
    • Constructor Detail

      • DeAromatizationTool

        public DeAromatizationTool()
        Deprecated.
    • Method Detail

      • deAromatize

        public static boolean deAromatize​(IRing ring)
        Deprecated.
        Methods that takes a ring of which all bonds are aromatic, and assigns single and double bonds. It does this in a non-general way by looking at the ring size and take everything as a special case.
        Parameters:
        ring - Ring to dearomatize
        Returns:
        False if it could not convert the aromatic ring bond into single and double bonds
      • Dearomatize

        public static void Dearomatize​(IAtomContainer molecule)
        Deprecated.
      • Dearomatize666Rings

        public static boolean Dearomatize666Rings​(IRingSet rings)
        Deprecated.
      • Dearomatize566Rings

        public static boolean Dearomatize566Rings​(IRingSet rings)
        Deprecated.
      • Dearomatize66Rings

        public static boolean Dearomatize66Rings​(IRingSet rings)
        Deprecated.
      • Dearomatize56Rings

        public static boolean Dearomatize56Rings​(IRingSet rings)
        Deprecated.
      • Dearomatize6Ring

        public static boolean Dearomatize6Ring​(IRingSet rings)
        Deprecated.
      • Dearomatize5Ring

        public static boolean Dearomatize5Ring​(IRingSet rings)
        Deprecated.