public IBitFingerprint getBitFingerprint(IAtomContainer container) throws CDKException { MaccsKey[] keys = keys(container.getBuilder()); BitSet fp = new BitSet(keys.length);
public IBitFingerprint getBitFingerprint(IAtomContainer container) throws CDKException { MaccsKey[] keys = keys(container.getBuilder()); BitSet fp = new BitSet(keys.length);