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