Class EStateFragments

java.lang.Object
org.openscience.cdk.config.fragments.EStateFragments

public class EStateFragments extends Object
A class representing the 79 E-state atom types in terms of SMARTS. These fragments were originally described in [Hall, L.H. and Kier, L.B. . Journal of Chemical Information and Computer Science. 1995. 35] and were converted into SMARTS forms by the RDKit project
Author:
Greg Landrum
Source code:
main
Belongs to CDK module:
standard
Keywords:
estate, fragment
Created on:
2008-07-22
  • Constructor Details

    • EStateFragments

      public EStateFragments()
  • Method Details

    • getNames

      public static String[] getNames()
      Get the fragment names.
      Returns:
      a string array of the names
    • getSmarts

      public static String[] getSmarts()
      Get the SMARTS patterns.
      Returns:
      a string array with the SMARTS patterns
    • getPatterns

      public static SmartsPattern[] getPatterns()