Package 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:
- main
- Belongs to CDK module:
- interfaces
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Method Summary
Modifier and TypeMethodDescriptionlong
generate
(IAtomContainer container) Generate invariant 64-bit hash code for a molecule.
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Method Details
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generate
Generate invariant 64-bit hash code for a molecule.- Parameters:
container
- a molecule- Returns:
- hash code for the molecule
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