Package org.openscience.cdk.tools

Class DeAromatizationTool

java.lang.Object
org.openscience.cdk.tools.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 Details

    • DeAromatizationTool

      public DeAromatizationTool()
      Deprecated.

  • Method Details

    • 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.