Class ExhaustiveFragmentGeneratorAtoms


  • public class ExhaustiveFragmentGeneratorAtoms
    extends java.lang.Object
    • Constructor Detail

      • ExhaustiveFragmentGeneratorAtoms

        public ExhaustiveFragmentGeneratorAtoms()
    • Method Detail

      • generateFragments

        public void generateFragments()
      • get

        public java.util.List<ListWithIntVec> get​(int size)
        Returns a bit list.
        Parameters:
        size -
        Returns:
      • getFragmentsForSingleAtom

        public java.util.List<ListWithIntVec> getFragmentsForSingleAtom​(int indexStartAtom)
      • getCapacityLimitBreakes

        public int getCapacityLimitBreakes()
        Is increased by one if more than the the allowed number of fragments was generated. Starts with 0 for each new molecule.
        Returns: