public interface IFingerprinter
Modifier and Type | Method and Description |
---|---|
BitSet |
getFingerprint(IAtomContainer container)
Returns the fingerprint for the given IAtomContainer.
|
int |
getSize()
Returns the size of the fingerprints calculated.
|
BitSet getFingerprint(IAtomContainer container) throws CDKException
container
- IAtomContainer for which the fingerprint should be calculated.CDKException
- TODOint getSize()