Beispiel #1
0
        private static void VerifyAdd(int numStaticMods, int numHeavyMods)
        {
            var calc = SkylineWindow.Document.Settings.PeptideSettings.Prediction.RetentionTime.Calculator as RCalcIrt;

            Assert.IsNotNull(calc);
            var standards = calc.GetStandardPeptides().Select(SequenceMassCalc.NormalizeModifiedSequence).ToArray();

            var peptides = SkylineWindow.Document.PeptideGroups.First().Peptides.ToArray();

            Assert.AreEqual(standards.Length, peptides.Length);
            foreach (var peptide in peptides)
            {
                Assert.IsTrue(standards.Contains(peptide.ModifiedTarget));
                foreach (var transitionGroup in peptide.TransitionGroups)
                {
                    var transitions = transitionGroup.Transitions.ToList();
                    for (var i = 1; i < transitions.Count; i++)
                    {
                        Assert.IsTrue(TransitionGroup.CompareTransitions(transitions[i - 1], transitions[i]) < 0);
                    }
                }
            }

            var mods = SkylineWindow.Document.Settings.PeptideSettings.Modifications;

            Assert.AreEqual(numStaticMods, mods.StaticModifications.Count);
            Assert.AreEqual(numHeavyMods, mods.AllHeavyModifications.Count());
        }