Class SignatureQuotientGraph

  • public class SignatureQuotientGraph
    extends signature.AbstractQuotientGraph
    A signature quotient graph has a vertex for every signature symmetry class and an edge for each bond in the molecule between atoms in their class. So a structure where all the atoms are in the same symmetry class will have a quotient graph with one vertex and one loop edge. At the other extreme, a structure where every atom is in a different class will have a quotient graph the same as the molecule.
    Source code:
    Belongs to CDK module:
    • Constructor Detail

      • SignatureQuotientGraph

        public SignatureQuotientGraph​(IAtomContainer atomContainer)
        Construct a quotient graph from the symmetry classes generated from the atom container.
        atomContainer - the structure to use
      • SignatureQuotientGraph

        public SignatureQuotientGraph​(IAtomContainer atomContainer,
                                      int height)
        Construct a quotient graph using symmetry classes defined by signatures of height height.
        atomContainer - the structure to use
        height - the height of the signatures
    • Method Detail

      • isConnected

        public boolean isConnected​(int index1,
                                   int index2)
        Specified by:
        isConnected in class signature.AbstractQuotientGraph