Interface MolInput

  • All Superinterfaces:

    public interface MolInput
    extends DissimilarityInput
    Dissimilarity input implementation which can retrieve underlying Molecules. Use MolInputBuilder to construct an instance for Molecule objects.

    Please note that this class is marked with @Beta annotation, so it can be subject of incompatible changes or removal in later releases.

    • Method Detail

      • getMolecule

        Molecule getMolecule​(int index)
        Retrieve a structure.
        index - Structure index
        Represented structure