Class MolecularComplexityCalculator


  • public class MolecularComplexityCalculator
    extends java.lang.Object
    • Field Detail

      • TOTAL_CAPACITY

        public static final int TOTAL_CAPACITY
    • Constructor Detail

      • MolecularComplexityCalculator

        public MolecularComplexityCalculator()
    • Method Detail

      • calculate

        public double calculate​(StereoMolecule mol)
        Parameters:
        mol -
        Returns:
        NaN if complexity calculation failed or is not possible.
      • finalize

        public void finalize()
                      throws java.lang.Throwable
        Overrides:
        finalize in class java.lang.Object
        Throws:
        java.lang.Throwable