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.

    John May
    Source code:
    Belongs to CDK module:
    • Method Detail

      • generate

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