Class ContainerFragBondsSolutions


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

      • ELUSIVE

        public static boolean ELUSIVE
      • FACTOR_CAPACITY

        protected static double FACTOR_CAPACITY
      • START_CAPACITY

        protected static int START_CAPACITY
      • DEFAULT_CAPACITY

        protected static int DEFAULT_CAPACITY
      • MAX_NUM_BONDS

        protected static int MAX_NUM_BONDS
    • Constructor Detail

      • ContainerFragBondsSolutions

        public ContainerFragBondsSolutions​(int bits,
                                           int totalCapacity)
        Fragments are represented as bit arrays. Each bit represents a bond. The index of the bit equals the index of the bond in Molecule
        Parameters:
        bits - the maximum number of bonds in the Molecule that can be stored.
        totalCapacity - this is the capacity for all records. Memory is acquired until the maximum capacity is reached.
    • Method Detail

      • addFacultative

        public boolean addFacultative​(IBitArray f)
        The fragment is added if it is not already in the hash map.
        Parameters:
        f -
        Returns:
      • getBitsSet

        public int getBitsSet​(IBitArray f)
      • getList

        public java.util.List<IBitArray> getList​(int bonds)
      • getBondsMolecule

        public int getBondsMolecule()
        Returns:
        the bondsMolecule
      • setBondsMolecule

        public void setBondsMolecule​(int bondsMolecule)
        Parameters:
        bondsMolecule - the bondsMolecule to set
      • calculateHash

        public void calculateHash​(IBitArray f)
      • getSizeBinaryArray

        public int getSizeBinaryArray()
      • getTotalSizeResults

        public int getTotalSizeResults()
      • reset

        public void reset()
      • reset

        public void reset​(int bits)
        Clears the hash map with the records that contain the given number of bits set.
        Parameters:
        bits -
      • getMaximumCapacityBondsInFragment

        public int getMaximumCapacityBondsInFragment()
        Returns:
        the maximumNumberBondsInFragment
      • getCapacity

        public int getCapacity()
      • getAvailable

        public int getAvailable()
      • getMaximumNumberBondsInMolecule

        public int getMaximumNumberBondsInMolecule()