@Override public IFingerprinter getBitFingerprinter() { return new HybridizationFingerprinter(); }
public List<IBitFingerprint> makeFingerprintsFromSdf(boolean anyAtom, boolean anyAtomAnyBond, Map<String, Integer> timings, BufferedReader fin, int limit) throws Exception { HybridizationFingerprinter fingerPrinter = new HybridizationFingerprinter(HybridizationFingerprinter.DEFAULT_SIZE, HybridizationFingerprinter.DEFAULT_SEARCH_DEPTH); fingerPrinter.setHashPseudoAtoms(true);