/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testRemove_1() { IMolecularFormula formulaMin = new MolecularFormula(); formulaMin.addIsotope(builder.newIsotope("C"), 1); formulaMin.addIsotope(builder.newIsotope("H"), 1); formulaMin.addIsotope(builder.newIsotope("N"), 1); IMolecularFormula formulaMax = new MolecularFormula(); formulaMax.addIsotope(builder.newIsotope("C"), 4); formulaMax.addIsotope(builder.newIsotope("H"), 12); formulaMax.addIsotope(builder.newIsotope("N"), 2); IMolecularFormula mf1 = new MolecularFormula(); mf1.addIsotope(builder.newIsotope("C"), 3); mf1.addIsotope(builder.newIsotope("H"), 10); mf1.addIsotope(builder.newIsotope("N"), 1); IMolecularFormula mf2 = new MolecularFormula(); mf2.addIsotope(builder.newIsotope("C"), 1); mf2.addIsotope(builder.newIsotope("H"), 1); mf2.addIsotope(builder.newIsotope("N"), 1); IMolecularFormula mf3 = new MolecularFormula(); mf3.addIsotope(builder.newIsotope("C"), 4); mf3.addIsotope(builder.newIsotope("H"), 12); mf3.addIsotope(builder.newIsotope("N"), 2); IMolecularFormula mf4 = new MolecularFormula(); mf4.addIsotope(builder.newIsotope("C"), 7); mf4.addIsotope(builder.newIsotope("H"), 10); mf4.addIsotope(builder.newIsotope("N"), 1); IMolecularFormulaSet formulaSet = new MolecularFormulaSet(); formulaSet.addMolecularFormula(mf1); formulaSet.addMolecularFormula(mf2); formulaSet.addMolecularFormula(mf3); formulaSet.addMolecularFormula(mf4); IMolecularFormulaSet newMFSet = MolecularFormulaSetManipulator.remove(formulaSet, formulaMin, formulaMax); /*the mf4 is excluded from the limits*/ Assert.assertEquals(3, newMFSet.size()); Assert.assertEquals( MolecularFormulaManipulator.getString(mf1), MolecularFormulaManipulator.getString(newMFSet.getMolecularFormula(0))); Assert.assertEquals( MolecularFormulaManipulator.getString(mf2), MolecularFormulaManipulator.getString(newMFSet.getMolecularFormula(1))); Assert.assertEquals( MolecularFormulaManipulator.getString(mf3), MolecularFormulaManipulator.getString(newMFSet.getMolecularFormula(2))); }