Class FractalDimensionMolecule


  • public class FractalDimensionMolecule
    extends java.lang.Object
    FractalDimensionMolecule

    Modest v. Korff

    Created by korffmo1 on 28.08.18. 04.11.2021 Changed resultFracDimCalc.fractalDimension = Math.log10(nMaxFrags) / Math.log10(nBondsAtMaxNumFrag); into resultFracDimCalc.fractalDimension = Math.log10(nMaxFrags) / Math.log10(nBondsAtMaxNumFrags+1); otherwise we have a division by zero error nBondsAtMaxNumFrags=1. Resulted in infinite complexity score.

    • Constructor Detail

      • FractalDimensionMolecule

        public FractalDimensionMolecule​(int totalCapacity,
                                        boolean elusive)
    • Method Detail

      • finalizeThreads

        public void finalizeThreads()
                             throws java.lang.Throwable
        Throws:
        java.lang.Throwable
      • getSumUniqueFrags

        public static int getSumUniqueFrags​(java.util.List<java.awt.Point> liFragBnds_NumUniqueFrags)
      • getMaxNumUniqueFrags

        public static java.awt.Point getMaxNumUniqueFrags​(java.util.List<java.awt.Point> liFragBnds_NumUniqueFrags)
      • getIndexMaxNumUniqueFrags

        public static int getIndexMaxNumUniqueFrags​(java.util.List<java.awt.Point> liFragBnds_NumUniqueFrags)