org.openscience.cdk.hash

Interface MoleculeHashGenerator

public interface MoleculeHashGenerator

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

Author:

John May

Source code:

master

Belongs to CDK module:

interfaces

Method Summary

Methods

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

Method Detail

generate

long generate(IAtomContainer container)

Generate invariant 64-bit hash code for a molecule.

Parameters:

container - a molecule

Returns:

hash code for the molecule