/** * Creates a new DBMolecule that is an exact copy of the given instance including the same id. * * @param dBMolecule */ public DBMolecule(DBMolecule dBMolecule) { super(dBMolecule); setAtomContainer(dBMolecule.getMolecule()); fingerPrint = (BitSet) dBMolecule.getFingerPrint().clone(); persistedFingerPrint = makePersistedFingerPrint(fingerPrint); smiles = dBMolecule.toSMILES(); annotations = new ArrayList<Annotation>(dBMolecule.getAnnotations()); }
public boolean hasValuesEqualTo(BaseObject object) { if (!super.hasValuesEqualTo(object)) { return false; } if (!(object instanceof DBMolecule)) { return false; } DBMolecule dBMolecule = (DBMolecule) object; try { return fingerPrint.equals(dBMolecule.getFingerPrint()) && getInChIKey(Property.USE_CALCULATED) .equals(dBMolecule.getInChIKey(Property.USE_CALCULATED)); } catch (BioclipseException e) { throw new RuntimeException(e); } }