@Test
public void testGetPaulingElectronegativities() throws Exception {

    InductivePartialCharges ipc = new InductivePartialCharges();
    double[] eneg = ipc.getPaulingElectronegativities(mol, true);
    long[] expected = {};
    Assert.assertEquals("Error in C electronegativity", 2.20, eneg[0], 0.01);
    Assert.assertEquals("Error in Cl electronegativity", 3.28, eneg[1], 0.01);
    Assert.assertEquals("Error in Br electronegativity", 3.13, eneg[2], 0.01);
    Assert.assertEquals("Error in H electronegativity", 2.10, eneg[3], 0.01);
    Assert.assertEquals("Error in O electronegativity", 3.20, eneg[4], 0.01);
}