protected override ISpectrumParser GetSpectrumParser() { var datParser = new XTandemSpectrumXmlParser(options.GetTitleParser(), options.Parent.Database.GetAccessNumberParser()); datParser.Progress = Progress; return(datParser); }
protected override string GetTitleSample() { if (datFiles.SelectFileNames.Length > 0) { return(XTandemSpectrumXmlParser.GetTitleSample(datFiles.SelectFileNames[0])); } return(base.GetTitleSample()); }
public void TestParsePeptides() { List<IIdentifiedSpectrum> spectra = new XTandemSpectrumXmlParser().ReadFromFile(@"../../../data/xtandem.xml"); Assert.AreEqual(2, spectra.Count); Assert.AreEqual("K.DLGEEHFK.G", spectra[0].Sequence); Assert.AreEqual(32.2, spectra[0].Score, 0.1); Assert.AreEqual(5.1e-003, spectra[0].ExpectValue, 0.001); Assert.AreEqual(974.458, spectra[0].TheoreticalMH, 0.001); Assert.AreEqual(975.773, spectra[0].ExperimentalMH, 0.001); Assert.AreEqual(2, spectra[0].Query.Charge); Assert.AreEqual("K.DDDEEHFK.G", spectra[1].Sequence); }
public static void FindXtandemSourceXml(ListView lvDatFiles) { lvDatFiles.BeginUpdate(); try { foreach (ListViewItem item in lvDatFiles.Items) { string xmlFile = item.Text; if (File.Exists(xmlFile)) { while (item.SubItems.Count < 2) { item.SubItems.Add(""); } item.SubItems[1].Text = new FileInfo(XTandemSpectrumXmlParser.GetSourceFile(xmlFile)).Name; } } } finally { lvDatFiles.EndUpdate(); } }