Class CDKUtilities

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

@Deprecated public class CDKUtilities extends Object
Deprecated.
better accomplished with SMARTS patterns or simple REGEX
Utility class written by Todd Martin, for help in his QSAR descriptors and SMILES parser. Seems to have overlap with, at least, cdk.normalize.Normalizer.

TODO: merge with Normalizer.

Author:
Todd Martin
See Also:
Source code:
main
Belongs to CDK module:
extra
  • Constructor Details

    • CDKUtilities

      public CDKUtilities()
      Deprecated.
  • Method Details

    • fixSmiles

      public static String fixSmiles(String Smiles)
      Deprecated.
    • fixNitroGroups2

      public static boolean fixNitroGroups2(IAtomContainer m)
      Deprecated.
    • fixAromaticityForXLogP

      public static void fixAromaticityForXLogP(IAtomContainer m)
      Deprecated.
    • fixSulphurH

      public static void fixSulphurH(IAtomContainer m)
      Deprecated.