org.openscience.cdk.hash

Interface EnsembleHashGenerator

public interface EnsembleHashGenerator

A hash function which generates a single 64-bit hash code for a set of molecules (ensemble).

Author:

John May

Source code:

master

Belongs to CDK module:

interfaces

Method Summary

Methods

Modifier and Type	Method and Description
long	generate(Set<IAtomContainer> ensemble) Generate invariant 64-bit hash code for an ensemble of molecules.

Method Detail

generate

long generate(Set<IAtomContainer> ensemble)

Generate invariant 64-bit hash code for an ensemble of molecules.

Parameters:

ensemble - an ensemble molecule

Returns:

hash code for the ensemble