Interface MolInput

  • All Superinterfaces:
    DissimilarityInput

    @Beta
    @PublicAPI
    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.
        Parameters:
        index - Structure index
        Returns:
        Represented structure