Class SmilesCreator


  • @Deprecated
    public class SmilesCreator
    extends java.lang.Object
    Deprecated.
    Use the IsomericSmilesCreator instead!!!
    • Field Summary

      Fields 
      Modifier and Type Field Description
      protected java.lang.String mSmiles
      Deprecated.
       
    • Constructor Summary

      Constructors 
      Constructor Description
      SmilesCreator()
      Deprecated.
       
    • Field Detail

      • mSmiles

        protected java.lang.String mSmiles
        Deprecated.
    • Constructor Detail

      • SmilesCreator

        public SmilesCreator()
        Deprecated.
    • Method Detail

      • generateSmiles

        @Deprecated
        public java.lang.String generateSmiles​(ExtendedMolecule inMol)
        Deprecated.
        public String generateSmiles (Molecule inMol) Effect on instance variable: -> increment this.mVisitedMolAtoms -> increment this.mDisconnections, if inMol consists of several isolated molecules (or atoms). -> Build mSmiles. This class is deprecated. Use the IsomericSmilesCreator instead!!!