예제 #1
0
        public void test_accept_from_presets()
        {
            Sweet.lollipop = new Lollipop();
            ProteoformCommunity test_community = new ProteoformCommunity();

            Sweet.lollipop.target_proteoform_community = test_community;

            Sweet.lollipop.theoretical_database.uniprotModifications = new Dictionary <string, List <Modification> >
            {
                { "unmodified", new List <Modification>()
                  {
                      ConstructorsForTesting.get_modWithMass("unmodified", 0)
                  } }
            };

            //Testing the acceptance of peaks. The FDR is tested above, so I'm not going to work with that here.
            //Four proteoforms, three relations (linear), middle one isn't accepted; should give 2 families
            Sweet.lollipop.min_peak_count_ee = 2;
            ExperimentalProteoform pf3 = ConstructorsForTesting.ExperimentalProteoform("E1");
            ExperimentalProteoform pf4 = ConstructorsForTesting.ExperimentalProteoform("E2");
            ExperimentalProteoform pf5 = ConstructorsForTesting.ExperimentalProteoform("E3");
            ExperimentalProteoform pf6 = ConstructorsForTesting.ExperimentalProteoform("E4");

            ProteoformComparison comparison34 = ProteoformComparison.ExperimentalExperimental;
            ProteoformComparison comparison45 = ProteoformComparison.ExperimentalExperimental;
            ProteoformComparison comparison56 = ProteoformComparison.ExperimentalExperimental;
            ProteoformRelation   pr2          = new ProteoformRelation(pf3, pf4, comparison34, 0, TestContext.CurrentContext.TestDirectory);
            ProteoformRelation   pr3          = new ProteoformRelation(pf4, pf5, comparison45, 0, TestContext.CurrentContext.TestDirectory);
            ProteoformRelation   pr4          = new ProteoformRelation(pf5, pf6, comparison56, 0, TestContext.CurrentContext.TestDirectory);

            //Test display strings
            Assert.AreEqual("E1", pr2.connected_proteoforms[0].accession);
            Assert.AreEqual("E2", pr2.connected_proteoforms[1].accession);

            List <ProteoformRelation> prs2 = new List <ProteoformRelation> {
                pr2, pr3, pr4
            };

            foreach (ProteoformRelation pr in prs2)
            {
                pr.set_nearby_group(prs2, prs2.Select(r => r.InstanceId).ToList());
            }
            Assert.AreEqual(3, pr2.nearby_relations_count);
            Assert.AreEqual(3, pr3.nearby_relations_count);
            Assert.AreEqual(3, pr4.nearby_relations_count);

            Sweet.lollipop.theoretical_database.all_possible_ptmsets = new List <PtmSet> {
                new PtmSet(new List <Ptm> {
                    new Ptm(-1, ConstructorsForTesting.get_modWithMass("unmodified", 0))
                })
            };
            Sweet.lollipop.theoretical_database.possible_ptmset_dictionary = Sweet.lollipop.theoretical_database.make_ptmset_dictionary();
            Sweet.unaccept_peak_action(pr2);
            using (StreamWriter file = new StreamWriter(Path.Combine(TestContext.CurrentContext.TestDirectory, "method.xml")))
                file.WriteLine(Sweet.save_method());
            Sweet.open_method(Path.Combine(TestContext.CurrentContext.TestDirectory, "method.xml"), string.Join(Environment.NewLine, File.ReadAllLines(Path.Combine(TestContext.CurrentContext.TestDirectory, "method.xml"))), true, out string warning);
            Sweet.lollipop.ee_peaks = test_community.accept_deltaMass_peaks(prs2, new List <ProteoformRelation>());
            Assert.AreEqual(1, Sweet.lollipop.ee_peaks.Count);
            DeltaMassPeak peak = Sweet.lollipop.ee_peaks[0];

            Assert.IsFalse(peak.Accepted); // <-- even though it's above the threshold
            Assert.AreEqual(3, peak.grouped_relations.Count);
            Assert.AreEqual(3, pr2.peak.peak_relation_group_count);
            Assert.AreEqual(0, pr2.peak.DeltaMass);
            Assert.AreEqual("[unmodified]", peak.possiblePeakAssignments_string);

            //Test that the relations in the peak are added to each of the proteoforms referenced in the peak
            Assert.True(pf3.relationships.Contains(pr2));
            Assert.True(pf4.relationships.Contains(pr2) && pf4.relationships.Contains(pr3));
            Assert.True(pf5.relationships.Contains(pr3) && pf5.relationships.Contains(pr4));
        }