@Test
public void testPetiteJeanShapeNo3D() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer atomContainer = sp.parseSmiles("CCCOCCC(O)=O");
    DescriptorValue result = descriptor.calculate(atomContainer);
    DoubleArrayResult dar = (DoubleArrayResult) result.getValue();
    Assert.assertTrue(Double.isNaN(dar.get(1)));
}