public void checkDataSetNamesAndPathsTest() { Run run = new YAFMSRun(m_testFile); Assert.AreEqual(FileRefs.RawDataMSFiles.YAFMSStandardFile1, run.Filename); Assert.AreEqual("QC_Shew_09_01_pt5_a_20Mar09_Earth_09-01-01", run.DatasetName); Assert.AreEqual(FileRefs.RawDataBasePath.TrimEnd('\\'), run.DataSetPath); }
public void GetSpectrumTypesTest1() { Run run = new YAFMSRun(m_testFile); Assert.AreEqual(1, run.GetMSLevel(6009)); Assert.AreEqual(2, run.GetMSLevel(6010)); Assert.AreEqual(2, run.GetMSLevel(6011)); }
public void checkMinAndMaxScansTest1() { Run run = new YAFMSRun(m_testFile); //Need to confirm these numbers //Assert.AreEqual(14428, run.GetNumMSScans()); //Assert.AreEqual(0, run.MinScan); //Assert.AreEqual(14427, run.MaxScan); }
public void getPrecursorScanAndMZTest2() { var run = new YAFMSRun(FileRefs.RawDataMSFiles.YAFMSStandardFile3); //for (int i = 2000; i < 3000; i++) //{ // Console.WriteLine("scan " + i + "; mslevel = " + run.GetMSLevel(i)); //} }
public void GetSpectrumTypesTest2() { Run run = new YAFMSRun(m_testFile); //for (int i = 6000; i < 7000; i++) //{ // Console.WriteLine("scan " + i + "; mslevel = " + run.GetMSLevel(i)); //} }
public void getPrecursorScanAndMZTest1() { var run = new YAFMSRun(FileRefs.RawDataMSFiles.YAFMSStandardFile3); var testScan = 2000; var scanLevel = run.GetMSLevel(testScan); Assert.AreEqual(1, scanLevel); }
public void GetSpectrumTest2_WideMZRange() { var testScan = 6009; double minMZ = 0; double maxMZ = 50000; Run run = new YAFMSRun(m_testFile); var scanset = new ScanSet(testScan); var xydata = run.GetMassSpectrum(scanset, minMZ, maxMZ); Assert.AreNotEqual(xydata, null); Assert.AreNotEqual(xydata.Xvalues, null); Assert.AreNotEqual(xydata.Xvalues.Length, 0); }
public void GetSpectrumTest4_SummedSpectra() { var testScan = 6009; double minMZ = 800; double maxMZ = 850; Run run = new YAFMSRun(m_testFile); var scanset = new ScanSet(testScan, 6009, 6020); var xydata = run.GetMassSpectrum(scanset, minMZ, maxMZ); Assert.AreNotEqual(xydata, null); Assert.AreNotEqual(xydata.Xvalues, null); Assert.AreNotEqual(xydata.Xvalues.Length, 0); Assert.AreEqual(xydata.Xvalues.Length, 462); }
public void GetSpectrumTest1() { var testScan = 6009; Run run = new YAFMSRun(m_testFile); var scanset = new ScanSet(testScan); var xydata = run.GetMassSpectrum(scanset); Assert.AreNotEqual(xydata, null); Assert.AreNotEqual(xydata.Xvalues, null); Assert.AreNotEqual(xydata.Xvalues.Length, 0); Assert.AreEqual(1576, xydata.Xvalues.Length); //xydata.Display(); }
public void GenerateSyntheticMSBasedOnPeakDataTest1() { var fileOutput_xyvalsBefore = FileRefs.OutputFolderPath + "MENDData_scan311_before.txt"; var fileOutput_xyvalsAfter = FileRefs.OutputFolderPath + "MENDData_scan311_after.txt"; Run run = new YAFMSRun(m_testFile); var scan = new ScanSet(311); run.CurrentScanSet = scan; var peakWidthForAllPeaks = 0.001; var synMSGen = new DeconTools.Backend.ProcessingTasks.MSGenerators.SyntheticMSGeneratorFromPeakData(); var msgen = MSGeneratorFactory.CreateMSGenerator(run.MSFileType); msgen.Execute(run.ResultCollection); Assert.AreEqual(15226, run.XYData.Xvalues.Length); TestUtilities.WriteToFile(run.XYData, fileOutput_xyvalsBefore); run.PeakList = PeakUtilities.CreatePeakDataFromXYData(run.XYData, peakWidthForAllPeaks); Assert.AreEqual(15226, run.PeakList.Count); synMSGen.Execute(run.ResultCollection); Assert.AreNotEqual(15226, run.XYData.Xvalues.Length); Console.WriteLine(); Console.WriteLine(run.XYData.Xvalues.Length); TestUtilities.WriteToFile(run.XYData, fileOutput_xyvalsAfter); }