Class CIPDataSmiles

java.lang.Object
org.jmol.symmetry.CIPData
org.jmol.symmetry.CIPDataSmiles
public class CIPDataSmiles extends CIPData
A subclass that allows Jmol processing of SMILES using "...smiles...".find("SMILES","chirality")

  • Constructor Details

    • CIPDataSmiles

      public CIPDataSmiles()

  • Method Details

    • setAtomsForSmiles

      public CIPDataSmiles setAtomsForSmiles(Viewer vwr, String smiles) throws Exception
      Throws:
      Exception

    • getList

      protected BS[] getList(String smarts) throws Exception
      Description copied from class: CIPData
      Retrieve an array of bit sets that match a given SMARTS
      Overrides:
      getList in class CIPData
      Parameters:
      smarts -
      Returns:
      array of matching bit sets
      Throws:
      Exception

    • match

      protected BS match(String smarts) throws Exception
      Description copied from class: CIPData
      Return a bit set corresponding to a SMARTS
      Overrides:
      match in class CIPData
      Parameters:
      smarts -
      Returns:
      bit set matching this SMARTS
      Throws:
      Exception

    • getSmilesChiralityArray

      public String[] getSmilesChiralityArray()