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(TestContext.CurrentContext.TestDirectory + "/../../../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 void TestGetSourceFile()
{
Assert.AreEqual(@"D:\ws\ws_2\WS_2.RAW.mgf", XTandemSpectrumXmlParser.GetSourceFile(@TestContext.CurrentContext.TestDirectory + "/../../../data//xtandem.xml"));
Assert.AreEqual(@"/people/xiaobinxin/AS_II/raw_data/raw.3T3L1.SCX/mzXML.3T3L1/3T3L1_MDI_0min_SAX_Online_081215_01.RAW.mzXml", XTandemSpectrumXmlParser.GetSourceFile(@TestContext.CurrentContext.TestDirectory + "/../../../data//xtandem_linux.xml"));
}
