@Test(expected = CDKException.class)
public void testInvalidQuery() throws CDKException {

    PharmacophoreQuery query = new PharmacophoreQuery();
    PharmacophoreQueryAtom o = new PharmacophoreQueryAtom("D", "[OX1]");
    PharmacophoreQueryAtom n1 = new PharmacophoreQueryAtom("A", "[N]");
    PharmacophoreQueryAtom n2 = new PharmacophoreQueryAtom("A", "[NX3]");
    query.addAtom(o);
    query.addAtom(n1);
    query.addAtom(n2);
    PharmacophoreQueryBond b1 = new PharmacophoreQueryBond(o, n1, 4.0, 4.5);
    PharmacophoreQueryBond b2 = new PharmacophoreQueryBond(o, n2, 4.0, 5.0);
    PharmacophoreQueryBond b3 = new PharmacophoreQueryBond(n1, n2, 5.4, 5.8);
    query.addBond(b1);
    query.addBond(b2);
    query.addBond(b3);
    PharmacophoreMatcher matcher = new PharmacophoreMatcher(query);
    matcher.matches(conformers.get(0));
}