public void outputToText_xcaliburData_Test1()
{
var exportedFile = exportedMSFeaturesToTextFileFromOrbitrapFile1;
if (File.Exists(exportedFile))
{
File.Delete(exportedFile);
}
//create run and get some results
var run = TestDataCreationUtilities.CreateResultsFromThreeScansOfStandardOrbitrapData();
var isosExporter = new DeconTools.Backend.FileIO.MSFeatureToTextFileExporterBasic(exportedFile);
isosExporter.ExportResults(run.ResultCollection.ResultList);
Assert.AreEqual(true, File.Exists(exportedFile));
var importer = new IsosImporter(exportedFile, run.MSFileType);
var results = importer.Import();
Assert.IsTrue(results != null);
Assert.IsTrue(results.Count > 300);
//TODO: need to check if '388' is good or not
//Assert.AreEqual(388, results.Count);
}
public void JoshGenerateN15LabelledTheorProfileTest2()
{
var mt = TestDataCreationUtilities.CreateN14N15TestMassTagList().First(p => p.ID == 23085470);
mt.EmpiricalFormula = mt.GetEmpiricalFormulaFromTargetCode();
Console.WriteLine("Total nitrogens = " + mt.GetAtomCountForElement("N"));
var unlabelledTheorGenerator = new JoshTheorFeatureGenerator();
unlabelledTheorGenerator.GenerateTheorFeature(mt);
TestUtilities.DisplayIsotopicProfileData(mt.IsotopicProfile);
Console.WriteLine();
var n15theorGenerator = new JoshTheorFeatureGenerator(DeconTools.Backend.Globals.LabellingType.N15, 0.005);
n15theorGenerator.GenerateTheorFeature(mt);
unlabelledTheorGenerator.GenerateTheorFeature(mt);
n15theorGenerator.GenerateTheorFeature(mt);
unlabelledTheorGenerator.GenerateTheorFeature(mt);
TestUtilities.DisplayIsotopicProfileData(mt.IsotopicProfile);
Console.WriteLine();
TestUtilities.DisplayIsotopicProfileData(mt.IsotopicProfileLabelled);
}
public void JoshGenerateTheorProfileTest1()
{
var mt = TestDataCreationUtilities.CreateN14N15TestMassTagList().First(p => p.ID == 23085473);
var theorGenerator = new JoshTheorFeatureGenerator();
theorGenerator.GenerateTheorFeature(mt);
TestUtilities.DisplayIsotopicProfileData(mt.IsotopicProfile);
//TODO: add an Assert, with a manually confirmed number.
}
public void TomGenerateN15LabelledTheorProfileTest1()
{
var mt = TestDataCreationUtilities.CreateN14N15TestMassTagList().First(p => p.ID == 23085473);
var unlabelledTheorGenerator = new TomTheorFeatureGenerator();
unlabelledTheorGenerator.GenerateTheorFeature(mt);
var n15theorGenerator = new TomTheorFeatureGenerator(DeconTools.Backend.Globals.LabellingType.N15, 0.005);
n15theorGenerator.GenerateTheorFeature(mt);
TestUtilities.DisplayIsotopicProfileData(mt.IsotopicProfileLabelled);
//TODO: add an Assert, with a manually confirmed number.
}
public void ouputToSQLite_xcaliburData_Test1()
{
var exportedFile = exportedMSFeaturesToSQLiteFromOrbitrapFile1;
if (File.Exists(exportedFile))
{
File.Delete(exportedFile);
}
ExporterBase <IsosResult> exporter = new MSFeatureToSQLiteExporterBasic(exportedFile);
var run = TestDataCreationUtilities.CreateResultsFromThreeScansOfStandardOrbitrapData();
exporter.ExportResults(run.ResultCollection.ResultList);
Assert.AreEqual(true, File.Exists(exportedFile));
var fi = new FileInfo(exportedFile);
//Assert.AreEqual(28672, fi.Length);
Console.Write(fi.Length);
}
public void ouputToSQLite_UIMFData_Test1()
{
var exportedFile = exportedMSFeaturesToSQLiteFromUIMFFile1;
if (File.Exists(exportedFile))
{
File.Delete(exportedFile);
}
ExporterBase <IsosResult> exporter = new MSFeatureToSQLiteExporterUIMF(exportedFile);
var run = TestDataCreationUtilities.CreateResultsFromTwoFramesOfStandardUIMFData();
exporter.ExportResults(run.ResultCollection.ResultList);
Assert.AreEqual(true, File.Exists(exportedFile));
var fi = new FileInfo(exportedFile);
Assert.AreEqual(141312, fi.Length);
Console.Write(fi.Length);
}
public void ExportPeakDataToTextFileTest1()
{
var outputFile = FileRefs.OutputFolderPath + "ExportPeakDataToTextFileTest1.txt";
if (File.Exists(outputFile))
{
File.Delete(outputFile);
}
var run = TestDataCreationUtilities.CreatePeakDataFromStandardOrbitrapData();
NUnit.Framework.Assume.That(5608 == run.ResultCollection.MSPeakResultList.Count);
var peakExporter = new PeakListTextExporter(run.MSFileType, outputFile);
peakExporter.WriteOutPeaks(run.ResultCollection.MSPeakResultList);
var fi = new FileInfo(outputFile);
Assert.AreEqual(true, fi.Exists);
Assert.AreNotEqual(0, fi.Length);
}
public void outputToText_xcaliburData_Test1()
{
var exportedFile = exportedMSScanInfoToTextFileFromOrbitrapFile1;
if (File.Exists(exportedFile))
{
File.Delete(exportedFile);
}
//create run and get some results
ExporterBase <ScanResult> exporter = new DeconTools.Backend.FileIO.MSScanInfoToTextFileExporterBasic(exportedFile);
var run = TestDataCreationUtilities.CreateResultsFromThreeScansOfStandardOrbitrapData();
exporter.ExportResults(run.ResultCollection.ScanResultList);
Assert.AreEqual(true, File.Exists(exportedFile));
var fi = new FileInfo(exportedFile);
Assert.IsTrue(fi.Length > 200);
Console.Write(fi.Length);
}
public void outputToText_UIMFData_Test1()
{
var exportedFile = exportedMSFeaturesToTextFileFromUIMFFile1;
if (File.Exists(exportedFile))
{
File.Delete(exportedFile);
}
//create run and get some results
var run = TestDataCreationUtilities.CreateResultsFromTwoFramesOfStandardUIMFData();
ExporterBase <IsosResult> isosExporter = new DeconTools.Backend.FileIO.MSFeatureToTextFileExporterUIMF(exportedFile);
isosExporter.ExportResults(run.ResultCollection.ResultList);
Assert.AreEqual(true, File.Exists(exportedFile));
var fi = new FileInfo(exportedFile);
Assert.AreEqual(135329, fi.Length); //TODO: verify this
Console.Write(fi.Length);
}
