Class NastyFunctionDetector


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

      • cNastyFunctionsUnknown

        public static final java.lang.String[] cNastyFunctionsUnknown
      • sNastyFunction

        public static final java.lang.String[][] sNastyFunction
    • Constructor Detail

      • NastyFunctionDetector

        public NastyFunctionDetector()
    • Method Detail

      • getNastyFunctionList

        public java.lang.String[] getNastyFunctionList​(StereoMolecule mol,
                                                       long[] index)
        Parameters:
        mol -
        index - FragFp descriptor
        Returns:
        list of names of detected nasty function or null in case of initialization error
      • getNastyFunctionString

        public java.lang.String getNastyFunctionString​(StereoMolecule mol,
                                                       long[] index)
        Parameters:
        mol -
        index - FragFp descriptor
        Returns:
        '; ' separated list of detected nasty function names