Class SmilesGenerator

java.lang.Object
org.jmol.smiles.SmilesGenerator

public class SmilesGenerator extends Object
Double bond, allene, square planar and tetrahedral stereochemistry only not octahedral or trigonal bipyramidal. No attempt at canonicalization -- unnecessary for model searching. see SmilesMatcher and package.html for details Bob Hanson, Jmol 12.0.RC17 2010.06.5
  • Field Details

    • polySmilesCenter

      public P3 polySmilesCenter
  • Constructor Details

    • SmilesGenerator

      public SmilesGenerator()
  • Method Details

    • getRingKey

      protected static String getRingKey(int i0, int i1)