Package org.openscience.cdk.hash

Interface MoleculeHashGenerator

public interface MoleculeHashGenerator
A hash function which generates a single 64-bit hash code for a molecule.

Implementations of this interface are encouraged to be conservative about introducing any changes to the generated hash values and to mention any such changes in the release notes. However, please take into consideration that the hash values generated by this class are not guaranteed to remain unaltered over time.

Author:
John May

  • Method Summary

    Modifier and Type
    Method
    Description
    long
    generate(IAtomContainer container)
    Generate invariant 64-bit hash code for a molecule.

  • Method Details

    • generate

      long generate(IAtomContainer container)
      Generate invariant 64-bit hash code for a molecule.
      Parameters:
      container - a molecule
      Returns:
      hash code for the molecule