@Test
public void testCompare_DiffBondOrderSum() {

    DebugAtomType at1 = new DebugAtomType("C");
    DebugAtomType at2 = new DebugAtomType("C");
    at1.setBondOrderSum(1.5);
    at2.setBondOrderSum(2.0);
    Assert.assertFalse(at1.compare(at2));
}