public DBMolecule(String name, ICDKMolecule cdkMolecule) throws BioclipseException {
super();
this.name = name;
try {
fingerPrint =
cdkMolecule.getFingerprint(
net.bioclipse.core.domain.IMolecule.Property.USE_CACHED_OR_CALCULATED);
} catch (BioclipseException e) {
logger.error("Could not create fingerprint for molecule", e);
}
persistedFingerPrint = makePersistedFingerPrint(fingerPrint);
setAtomContainer(cdkMolecule.getAtomContainer());
smiles = "";
annotations = new ArrayList<Annotation>();
}
