public void executeWorkflow3()
{
var executorParameterFile =
@"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\workflowExecutor_parameters - Copy.xml";
WorkflowExecutorBaseParameters executorParameters = new LcmsFeatureTargetedWorkflowExecutorParameters();
executorParameters.LoadParameters(executorParameterFile);
var testDatasetPath = FileRefs.SipperRawDataFile;
TargetedWorkflowExecutor executor = new LcmsFeatureTargetedWorkflowExecutor(executorParameters, testDatasetPath);
executor.Execute();
}
public void exportParametersTest2()
{
var exportedParametersFile = Path.Combine(FileRefs.OutputFolderPath, "exportedLcmsTargetedWorkflowExecutorParameters.xml");
var parameters = new LcmsFeatureTargetedWorkflowExecutorParameters();
parameters.CopyRawFileLocal = true;
parameters.DeleteLocalDatasetAfterProcessing = true;
parameters.FolderPathForCopiedRawDataset = @"d:\temp\rawdata";
parameters.TargetsFilePath = @"d:\temp\MassTags\targets.txt";
parameters.TargetsBaseFolder = @"d:\temp";
parameters.MassTagsForReference = @"d:\temp\MassTags\MassTagsForReference.txt";
parameters.TargetedAlignmentWorkflowParameterFile = @"d:\temp\Parameters\targetedAlignmentParameters.xml";
parameters.WorkflowParameterFile = @"d:\temp\Parameters\WorkflowParameters.xml";
parameters.SaveParametersToXML(exportedParametersFile);
}
public void executeWorkflow1()
{
var executorParameterFile =
@"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\workflowExecutor_parameters.xml";
WorkflowExecutorBaseParameters executorParameters = new LcmsFeatureTargetedWorkflowExecutorParameters();
executorParameters.LoadParameters(executorParameterFile);
var testDatasetPath = FileRefs.SipperRawDataFile;
var testDatasetName = "Yellow_C13_070_23Mar10_Griffin_10-01-28";
var expectedResultsFilename = executorParameters.OutputFolderBase + "\\Results" + "\\" + testDatasetName + "_results.txt";
if (File.Exists(expectedResultsFilename))
{
File.Delete(expectedResultsFilename);
}
TargetedWorkflowExecutor executor = new LcmsFeatureTargetedWorkflowExecutor(executorParameters, testDatasetPath);
executor.Execute();
Assert.IsTrue(File.Exists(expectedResultsFilename));
var importer = new SipperResultFromTextImporter(expectedResultsFilename);
var repository = importer.Import();
Assert.AreEqual(9, repository.Results.Count);
var result1 = repository.Results[2];
Assert.AreEqual(8586, result1.TargetID);
Assert.AreEqual(2, result1.ChargeState);
Assert.AreEqual(6512, result1.ScanLC);
Assert.AreEqual(1543.82565m, (decimal)Math.Round(result1.MonoMass, 5));
}
