Package org.openscience.cdk.hash
Interface MoleculeHashGenerator
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public interface MoleculeHashGenerator
A hash function which generates a single 64-bit hash code for a molecule.Implementations of this interface are encouraged to be conservative about introducing any changes to the generated hash values and to mention any such changes in the release notes. However, please take into consideration that the hash values generated by this class are not guaranteed to remain unaltered over time.
- Author:
- John May
- Source code:
- main
- Belongs to CDK module:
- interfaces
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description long
generate(IAtomContainer container)
Generate invariant 64-bit hash code for a molecule.
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Method Detail
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generate
long generate(IAtomContainer container)
Generate invariant 64-bit hash code for a molecule.- Parameters:
container
- a molecule- Returns:
- hash code for the molecule
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