@Test
public void testNaNs() throws java.lang.Exception {

    IAtomicDescriptor descriptor = new ProtonTotalPartialChargeDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C(F)(F)");
    addExplicitHydrogens(mol);
    DoubleArrayResult retval = (DoubleArrayResult) descriptor.calculate(mol.getAtom(0), mol).getValue();
    Assert.assertEquals(5, retval.length());
    Assert.assertTrue(Double.isNaN(retval.get(3)));
    Assert.assertTrue(Double.isNaN(retval.get(4)));
}