@Test
public void testContains_IMolecularFormulaSet_IMolecularFormula() {

    IMolecularFormula mf1 = new MolecularFormula();
    mf1.addIsotope(builder.newInstance(IIsotope.class, "C"), 4);
    mf1.addIsotope(builder.newInstance(IIsotope.class, "H"), 12);
    mf1.addIsotope(builder.newInstance(IIsotope.class, "N"), 1);
    mf1.addIsotope(builder.newInstance(IIsotope.class, "O"), 4);
    IMolecularFormula mf3 = new MolecularFormula();
    mf3.addIsotope(builder.newInstance(IIsotope.class, "C"), 9);
    mf3.addIsotope(builder.newInstance(IIsotope.class, "H"), 5);
    mf3.addIsotope(builder.newInstance(IIsotope.class, "O"), 7);
    IMolecularFormulaSet formulaSet = new MolecularFormulaSet();
    formulaSet.addMolecularFormula(mf1);
    formulaSet.addMolecularFormula(mf3);
    IMolecularFormula mf2 = new MolecularFormula();
    mf2.addIsotope(builder.newInstance(IIsotope.class, "C"), 4);
    mf2.addIsotope(builder.newInstance(IIsotope.class, "H"), 12);
    mf2.addIsotope(builder.newInstance(IIsotope.class, "N"), 1);
    mf2.addIsotope(builder.newInstance(IIsotope.class, "O"), 4);
    IMolecularFormula mf4 = new MolecularFormula();
    mf4.addIsotope(builder.newInstance(IIsotope.class, "C"), 4);
    IIsotope hyd = builder.newInstance(IIsotope.class, "H");
    hyd.setExactMass(2.0032342);
    mf4.addIsotope(hyd, 12);
    mf4.addIsotope(builder.newInstance(IIsotope.class, "N"), 1);
    mf4.addIsotope(builder.newInstance(IIsotope.class, "O"), 4);
    Assert.assertTrue(MolecularFormulaSetManipulator.contains(formulaSet, mf2));
    Assert.assertFalse(MolecularFormulaSetManipulator.contains(formulaSet, mf4));
}