Class FastMolecularComplexityCalculator


  • public class FastMolecularComplexityCalculator
    extends java.lang.Object
    This is a fast version of the MolecularComplexityCalculator in the com.actelion.chem.properties.complexity package. It determines the number of distinct fragments within the given molecule up to a bod count of 7.
    • Constructor Detail

      • FastMolecularComplexityCalculator

        public FastMolecularComplexityCalculator()
    • Method Detail

      • assessComplexity

        public static float assessComplexity​(StereoMolecule mol)
        Ambiguous bonds are normalized.
        Parameters:
        mol -
        Returns: