Package chemaxon.descriptors

Interface MolecularDescriptorGenerator

@PublicApi @Deprecated(forRemoval=true) @SubjectToRemoval(date=JUL_01_2025) public interface MolecularDescriptorGenerator
Deprecated, for removal: This API element is subject to removal in a future version.
No longer used, will be removed.
Interface definition for MolecularDescriptor generators.
Since:
JChem 2.0.0

  • Method Summary

    Modifier and Type
    Method
    Description
    String[]
    generate(Molecule m, MolecularDescriptor generatedDescr)
    Deprecated, for removal: This API element is subject to removal in a future version.
    Creates a certain type of MolecularDescriptor (depending on the specific ganerator providing this service) for the given molecule.

  • Method Details

    • generate

      String[] generate(Molecule m, MolecularDescriptor generatedDescr) throws MDGeneratorException
      Deprecated, for removal: This API element is subject to removal in a future version.
      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