Interface MolecularDescriptorGenerator


  • @Deprecated
    @PublicAPI
    public interface MolecularDescriptorGenerator
    Deprecated.
    5.4
    Interface definition for MolecularDescriptor generators.
    Since:
    JChem 2.0.0
    • Method Detail

      • generate

        String[] generate​(Molecule m,
                          MolecularDescriptor generatedDescr)
                   throws MDGeneratorException
        Deprecated.
        Creates a certain type of MolecularDescriptor (depending on the specific ganerator providing this service) for the given molecule. The descriptor (more precisely, its string representation), and other optional data (again depending on the specific generator) are stored in the input molecule as properties.
        Parameters:
        m - molecular structure for which the descriptor is generated
        generatedDescr - the descriptor generated, an output parameter
        Returns:
        name(s) of tag(s) (properties) set in the input molecule
        Throws:
        MDGeneratorException