Interface MoleculeHashGenerator


public interface MoleculeHashGenerator
A hash function which generates a single 64-bit hash code for a molecule.
Author:
John May
Source code:
main
Belongs to CDK module:
interfaces
  • Method Summary

    Modifier and Type
    Method
    Description
    long
    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