Class HashCode

java.lang.Object
chemaxon.sss.screen.HashCode

@PublicApi public final class HashCode extends Object
Hash code generator for molecules. Explicit hydrogens are not considered.
NOTE: this class is not thread safe for the sake of efficiency, multiple threads should use multiple instances.
Since:
JChem 3.0
  • Field Details

    • DEFAULT_RECURSION_LEVEL

      public static final int DEFAULT_RECURSION_LEVEL
      See Also:
  • Constructor Details

    • HashCode

      public HashCode()
      Creates a new instance of HashCode
  • Method Details

    • getHashCode

      public int getHashCode(Molecule mol)
      Gets hash code with default recursion level.
      Parameters:
      mol - the molecule
      Returns:
      the hash code
      See Also:
    • getHashCode

      public int getHashCode(Molecule mol, int recursion)
      Gets the hash code.
      Parameters:
      mol - the molecule
      recursion - the maximum level of recursion. Increase for better diversity, decrease for speed. Specify 1 or more.
      Returns:
      the hash code
      See Also:
    • getHashCode

      public int getHashCode(Molecule mol, int[] fp)
      Gets hash code with default recursion level.
      Parameters:
      mol - the molecule
      fp - the fingerprints in integers
      Returns:
      the hash code
      See Also:
    • getHashCode

      public int getHashCode(Molecule mol, int[] fp, int recursion)
      Gets the hash code.
      Parameters:
      mol - the molecule
      fp - the fingerprints in integers
      recursion - the maximum level of recursion. Increase for better diversity, decrease for speed. Specify 1 or more.
      Returns:
      the hash code
      See Also: