Class MoleculeFromSignatureBuilder

java.lang.Object
signature.AbstractGraphBuilder
org.openscience.cdk.signature.MoleculeFromSignatureBuilder

public class MoleculeFromSignatureBuilder extends signature.AbstractGraphBuilder
Builds a molecule from a signature.
Author:
maclean
Source code:
main
Belongs to CDK module:
signature
  • Constructor Details

    • MoleculeFromSignatureBuilder

      public MoleculeFromSignatureBuilder(IChemObjectBuilder builder)
      Uses the chem object builder for making molecules.
      Parameters:
      builder - a builder for CDK molecules.
  • Method Details

    • makeEdge

      public void makeEdge(int vertexIndex1, int vertexIndex2, String vertexSymbol1, String vertexSymbol2, String edgeLabel)
      Specified by:
      makeEdge in class signature.AbstractGraphBuilder
    • makeGraph

      public void makeGraph()
      Specified by:
      makeGraph in class signature.AbstractGraphBuilder
    • makeVertex

      public void makeVertex(String label)
      Specified by:
      makeVertex in class signature.AbstractGraphBuilder
    • getAtomContainer

      public IAtomContainer getAtomContainer()
      Gets the atom container.
      Returns:
      the constructed atom container