@Test
public void testCalculateIsotopesOrthinine() {

    // RESULTS ACCORDING PAGE: http://www2.sisweb.com/mstools/isotope.htm
    double[] massResults = {133.097720, 134.094750, 134.101079, 134.103990, 135.101959, 135.104430};
    double[] abundResults = {1.00, .006, .054, 0.002, 0.004, 0.001};
    IMolecularFormula molFor = new MolecularFormula();
    molFor.addIsotope(builder.newInstance(IIsotope.class, "C"), 5);
    molFor.addIsotope(builder.newInstance(IIsotope.class, "H"), 13);
    molFor.addIsotope(builder.newInstance(IIsotope.class, "N"), 2);
    molFor.addIsotope(builder.newInstance(IIsotope.class, "O"), 2);
    IsotopePatternGenerator isotopeGe = new IsotopePatternGenerator(0.0010);
    IsotopePattern isoPattern = isotopeGe.getIsotopes(molFor);
    Assert.assertEquals(6, isoPattern.getNumberOfIsotopes());
    Assert.assertEquals(massResults[0], isoPattern.getIsotope(0).getMass(), 0.01);
    Assert.assertEquals(massResults[1], isoPattern.getIsotope(1).getMass(), 0.01);
    Assert.assertEquals(massResults[2], isoPattern.getIsotope(2).getMass(), 0.01);
    Assert.assertEquals(massResults[3], isoPattern.getIsotope(3).getMass(), 0.01);
    Assert.assertEquals(massResults[4], isoPattern.getIsotope(4).getMass(), 0.01);
    Assert.assertEquals(massResults[5], isoPattern.getIsotope(5).getMass(), 0.01);
    Assert.assertEquals(abundResults[0], isoPattern.getIsotope(0).getIntensity(), 0.01);
    Assert.assertEquals(abundResults[1], isoPattern.getIsotope(1).getIntensity(), 0.01);
    Assert.assertEquals(abundResults[2], isoPattern.getIsotope(2).getIntensity(), 0.01);
    Assert.assertEquals(abundResults[3], isoPattern.getIsotope(3).getIntensity(), 0.01);
    Assert.assertEquals(abundResults[4], isoPattern.getIsotope(4).getIntensity(), 0.01);
    Assert.assertEquals(abundResults[5], isoPattern.getIsotope(5).getIntensity(), 0.01);
}