Interface AtomHashGenerator


public interface AtomHashGenerator
A hash function which generates 64-bit hash codes for the atoms of 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 codes for the atoms of the molecule.
  • Method Details

    • generate

      long[] generate(IAtomContainer container)
      Generate invariant 64-bit hash codes for the atoms of the molecule.
      Parameters:
      container - a molecule
      Returns:
      atomic hash codes