org.openscience.cdk.fingerprint
Interface IFingerprinter

All Known Implementing Classes:

EStateFingerprinter, ExtendedFingerprinter, Fingerprinter, GraphOnlyFingerprinter, HybridizationFingerprinter, MACCSFingerprinter, PubchemFingerprinter, SubstructureFingerprinter

public interface IFingerprinter

Interface for fingerprint calculators.

Author:

egonw

Keywords:

fingerprint

Belongs to CDK module:

core

Source code:

HEAD

Method Summary

BitSet	getFingerprint(IAtomContainer container) Returns the fingerprint for the given IAtomContainer.
int	getSize() Returns the size of the fingerprints calculated.

Method Detail

getFingerprint

BitSet getFingerprint(IAtomContainer container)
                      throws CDKException

Returns the fingerprint for the given IAtomContainer.

Parameters:

container - IAtomContainer for which the fingerprint should be calculated.

Returns:

the fingerprint

Throws:

CDKException - TODO

getSize

int getSize()

Returns the size of the fingerprints calculated.

Returns:

the size of the fingerprint