protected IsobaricPeptideStatisticBuilderOptions GetStatisticOption() { var option = new IsobaricPeptideStatisticBuilderOptions(); option.PeptideFile = peptideFile.FullName; option.DesignFile = designFile.FullName; option.Mode = modes.SelectedItem; option.ModifiedAminoacids = modifiedAminoacids.Text; option.PerformNormalizition = normalize.Checked; if (option.Mode == QuantifyMode.qmModificationSite) { option.MinimumSiteProbability = minimumSiteProbability.Value; } return(option); }
public void TestFilterSpectraByQuantifyMode() { var options = new IsobaricPeptideStatisticBuilderOptions() { ModifiedAminoacids = "STY", MinimumSiteProbability = 0.8 }; //For all spectra, nothing will be filtered options.Mode = QuantifyMode.qmAll; var isoSpectra = InitializeSpectra(); new IsobaricPeptideStatisticBuilder(options).FilterSpectraByQuantifyMode(isoSpectra); Assert.AreEqual(3, isoSpectra.Count); //Unmodified spectra options.Mode = QuantifyMode.qmUnmodifiedPeptide; isoSpectra = InitializeSpectra(); new IsobaricPeptideStatisticBuilder(options).FilterSpectraByQuantifyMode(isoSpectra); Assert.AreEqual(1, isoSpectra.Count); Assert.AreEqual("^AAAQLLQSQAQQSGAQQTK@", isoSpectra[0].Sequence); //modified spectra, not filter site probability options.Mode = QuantifyMode.qmModificationSite; options.MinimumSiteProbability = -0.1; isoSpectra = InitializeSpectra(); new IsobaricPeptideStatisticBuilder(options).FilterSpectraByQuantifyMode(isoSpectra); Assert.AreEqual(2, isoSpectra.Count); Assert.IsTrue(isoSpectra.All(m => !m.Sequence.Equals("^AAAQLLQSQAQQSGAQQTK@"))); //modified spectra, filter site probability options.MinimumSiteProbability = 0.8; isoSpectra = InitializeSpectra(); new IsobaricPeptideStatisticBuilder(options).FilterSpectraByQuantifyMode(isoSpectra); Assert.AreEqual(1, isoSpectra.Count); Assert.AreEqual("^AAADTGAS*PR", isoSpectra[0].Sequence); }
public IsobaricPeptideStatisticBuilder(IsobaricPeptideStatisticBuilderOptions options) { this.options = options; }