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);
}
