public void TestIsosFilter() { var methodName = MethodBase.GetCurrentMethod().Name; TestUtils.ShowStarting(methodName); const string isosFilePath = @"H:\Research\QCShew_TopDown\Production\ICRTools\QC_Shew_Intact_26Sep14_Bane_C2Column3_Isos.csv"; if (!File.Exists(isosFilePath)) { Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, isosFilePath); } const string rawFilePath = @"H:\Research\QCShew_TopDown\Production\QC_Shew_Intact_26Sep14_Bane_C2Column3.raw"; if (!File.Exists(rawFilePath)) { Assert.Ignore(@"Skipping test {0} since file not found: {1}", methodName, rawFilePath); } var run = PbfLcMsRun.GetLcMsRun(rawFilePath); var filter = new IsosFilter(run, new Tolerance(10), isosFilePath); Console.WriteLine(string.Join("\t", filter.GetMatchingMs2ScanNums(30261.68374))); }
public void TestIsosFilter() { var methodName = MethodBase.GetCurrentMethod().Name; Utils.ShowStarting(methodName); var isosFilePath = Path.Combine(Utils.DEFAULT_SPEC_FILES_FOLDER, "QC_Shew_Intact_26Sep14_Bane_C2Column3_Excerpt_isos.csv"); var isosfile = Utils.GetTestFile(methodName, isosFilePath); var pbfFilePath = Utils.GetPbfTestFilePath(false); var pbfFile = Utils.GetTestFile(methodName, pbfFilePath); var run = PbfLcMsRun.GetLcMsRun(pbfFile.FullName); var filter = new IsosFilter(run, new Tolerance(10), isosfile.FullName); var massToFind = 944.08176; var matchingScanNums = filter.GetMatchingMs2ScanNums(massToFind).ToList(); var scanNumList = string.Join(",", matchingScanNums); Console.WriteLine("Scans with mass {0}:", massToFind); Console.WriteLine(scanNumList); }