@Test
public void testValidation_Orthinine() {

    IIsotope carb = ifac.getMajorIsotope("C");
    IIsotope h = ifac.getMajorIsotope("H");
    IIsotope oxy = ifac.getMajorIsotope("O");
    IIsotope nit = ifac.getMajorIsotope("N");
    // FIXME: MF: this looks like two tests... is that really so?
    // FIXME: MF: M: It is only one. But it generates 8 MF and I put two to check
    IMolecularFormula mf1 = new MolecularFormula();
    mf1.addIsotope(carb, 3);
    mf1.addIsotope(h, 11);
    mf1.addIsotope(oxy, 1);
    mf1.addIsotope(nit, 5);
    IMolecularFormula mf2 = new MolecularFormula();
    mf2.addIsotope(carb, 5);
    mf2.addIsotope(h, 13);
    mf2.addIsotope(oxy, 2);
    mf2.addIsotope(nit, 2);
    IMolecularFormulaSet mfSet = new MassToFormulaTool(builder).generate(133.0968);
    Assert.assertEquals(37, mfSet.size());
    Assert.assertEquals(MolecularFormulaManipulator.getAtomCount(mf1),
            MolecularFormulaManipulator.getAtomCount(mfSet.getMolecularFormula(0)));
    Assert.assertEquals(mf1.getIsotopeCount(), mfSet.getMolecularFormula(0).getIsotopeCount());
    Assert.assertEquals(mf1.getIsotopeCount(carb), mfSet.getMolecularFormula(0).getIsotopeCount(carb));
    Assert.assertEquals(mf1.getIsotopeCount(ifac.getMajorIsotope("N")), mfSet.getMolecularFormula(0)
            .getIsotopeCount(ifac.getMajorIsotope("N")));
    Assert.assertEquals(MolecularFormulaManipulator.getAtomCount(mf2),
            MolecularFormulaManipulator.getAtomCount(mfSet.getMolecularFormula(1)));
    Assert.assertEquals(mf2.getIsotopeCount(), mfSet.getMolecularFormula(1).getIsotopeCount());
    Assert.assertEquals(mf2.getIsotopeCount(ifac.getMajorIsotope("C")), mfSet.getMolecularFormula(1)
            .getIsotopeCount(ifac.getMajorIsotope("C")));
    Assert.assertEquals(mf2.getIsotopeCount(ifac.getMajorIsotope("N")), mfSet.getMolecularFormula(1)
            .getIsotopeCount(ifac.getMajorIsotope("N")));
}