private void computeFp(int k, CdkFingerprintVersion.USED_FINGERPRINTS fingerprintType) { try { if (fingerprintType.requiresAromaticityPerception) perceiveAromaticity(); this.fingerprints[k] = Fingerprinter.getFingerprinter(fingerprintType).getFingerprint(molecule); } catch (CDKException e) { throw new RuntimeException(e); } }