Class RFGenerator

java.lang.Object
chemaxon.descriptors.MDGenerator
chemaxon.descriptors.RFGenerator

@PublicApi public class RFGenerator extends MDGenerator
Generator class for the ReactionFingerprint descriptor.
Since:
JChem 3.2
  • Constructor Details

    • RFGenerator

      public RFGenerator()
  • Method Details

    • generate

      public String[] generate(Molecule m, MolecularDescriptor d) throws MDGeneratorException
      Generates the reaction fingerprint for the given reaction molecule object.
      Specified by:
      generate in class MDGenerator
      Parameters:
      m - reaction (molecule) for which the fingerprint is created
      d - the reaction fingerprint generated
      Returns:
      names of tags (properties) set (added) during fingerprint generation
      Throws:
      MDGeneratorException - in the case of any failures to generate the descriptor
    • calcFreqCount

      protected int calcFreqCount(MolecularDescriptor d)
      Updates statistics gathered on fingerprints generated and get the number of non-zero cells.
      Overrides:
      calcFreqCount in class MDGenerator
      Parameters:
      d - newly generated MolecularDescriptor
      Returns:
      brightness of the fingerprint