Ejemplo n.º 1
0
        public void temp_ExecuteSipper()
        {
            var paramFile =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\Parameters\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);

            parameters.FolderPathForCopiedRawDataset = @"D:\data\temp";


            var testDataset =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\RawData\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";


            var outputParameterFile = Path.Combine(Path.GetDirectoryName(paramFile),
                                                   Path.GetFileNameWithoutExtension(paramFile) + " - copy.xml");

            parameters.SaveParametersToXML(outputParameterFile);


            var executor = new SipperWorkflowExecutor(parameters, testDataset);

            executor.Execute();
        }
Ejemplo n.º 2
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        public void ExecuteSipper_FindAssociatedTargetsFile()
        {
            var paramFile =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\Parameters\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);
            parameters.DbName      = String.Empty;
            parameters.DbServer    = String.Empty;
            parameters.DbTableName = String.Empty;

            parameters.CopyRawFileLocal = false;

            //parameters.ReferenceDataForTargets =
            //    @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\Targets\massTag_reference_file.txt";

            parameters.TargetsBaseFolder =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\Targets";


            var testDataset =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\RawData\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";


            var outputParameterFile = Path.Combine(Path.GetDirectoryName(paramFile),
                                                   Path.GetFileNameWithoutExtension(paramFile) + " - copy.xml");

            parameters.SaveParametersToXML(outputParameterFile);


            var executor = new SipperWorkflowExecutor(parameters, testDataset);

            executor.Execute();
        }
Ejemplo n.º 3
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        public void ExecuteSipper_UsingTargetsWithEmpiricalFormulaOnly()
        {
            var paramFile =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);
            parameters.DbName      = String.Empty;
            parameters.DbServer    = String.Empty;
            parameters.DbTableName = String.Empty;

            parameters.CopyRawFileLocal = false;

            parameters.TargetsFilePath =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Targets\Yellow_C13_070_23Mar10_Griffin_10-01-28_10practice_targets_empFormula_noMonoMass.txt";


            var testDataset =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";

            var executor = new SipperWorkflowExecutor(parameters, testDataset);

            executor.Execute();
        }
Ejemplo n.º 4
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        public void loadPreviousResultsAndReProcess()
        {
            var paramFile =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\SipperExecutorParams_importedFeaturesWithEmpFormula.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);

            parameters.TargetsFilePath =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Results\Yellow_C13_070_23Mar10_Griffin_10-01-28_copy_results.txt";

            //string exportedParameterFile =
            //    @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\SipperExecutorParams1.xml";
            //parameters.SaveParametersToXML(exportedParameterFile);

            var testDataset =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";

            var executor = new SipperWorkflowExecutor(parameters, testDataset);


            Assert.IsTrue(executor.ExecutorParameters.WorkflowType ==
                          Globals.TargetedWorkflowTypes.SipperWorkflowExecutor1);

            executor.Execute();
        }
Ejemplo n.º 5
0
        public void loadLCMSFeaturesNotIdentifiedAndProcess2()
        {
            var paramFile =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\SipperExecutorParams_importedFeaturesWithEmpFormula.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);

            parameters.TargetsToFilterOn = String.Empty;

            parameters.TargetsFilePath =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28_select_unidentified_LCMSFeatures.txt";

            parameters.ReferenceDataForTargets = String.Empty;

            var testDataset =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";

            var executor = new SipperWorkflowExecutor(parameters, testDataset);

            Assert.IsTrue(executor.ExecutorParameters.WorkflowType ==
                          Globals.TargetedWorkflowTypes.SipperWorkflowExecutor1);

            executor.Execute();
        }
Ejemplo n.º 6
0
        public void ExecuteSipper()
        {
            var paramFile =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\Parameters\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);
            parameters.CopyRawFileLocal = false;
            //parameters.FolderPathForCopiedRawDataset = @"D:\data\temp";


            var testDataset =
                @"\\protoapps\DataPkgs\Public\2012\601_Sipper_paper_data_processing_and_analysis\RawData\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";


            var outputParameterFile = Path.Combine(Path.GetDirectoryName(paramFile),
                                                   Path.GetFileNameWithoutExtension(paramFile) + " - copy.xml");

            parameters.SaveParametersToXML(outputParameterFile);


            var executor = new SipperWorkflowExecutor(parameters, testDataset);


            var targetsOfInterest = new int[] { 5555 };

            executor.Targets.TargetList =
                (executor.Targets.TargetList.Where(n => targetsOfInterest.Contains(n.ID))).ToList();

            executor.Execute();

            var workflow = executor.TargetedWorkflow as SipperTargetedWorkflow;



            var result = workflow.Result as SipperLcmsTargetedResult;

            Assert.IsNotNull(result);
            Assert.IsNotNull(result.ChromCorrelationData);
            Assert.IsNotNull(result.ChromCorrelationData.CorrelationDataItems);

            Assert.IsTrue(result.ChromCorrelationData.CorrelationDataItems.Count > 0);


            //foreach (var dataItem in result.ChromCorrelationData.CorrelationDataItems)
            //{
            //    Console.WriteLine(dataItem.CorrelationRSquaredVal);
            //}

            foreach (var fitScoreDataItem in workflow.FitScoreData)
            {
                Console.WriteLine(fitScoreDataItem.Key + "\t" + fitScoreDataItem.Value);
            }
        }
        public AutoprocessorViewModel()
        {
            ExecutorParameters = new SipperWorkflowExecutorParameters();
            ExecutorParameters.TargetType = Globals.TargetType.LcmsFeature;

            SipperWorkflowParameters = new SipperTargetedWorkflowParameters();
            StatusCollection = new ObservableCollection<string>();
            ProgressInfos = new ObservableCollection<TargetedWorkflowExecutorProgressInfo>();

            FileInputs = new FileInputsViewModel(null);
        }
Ejemplo n.º 8
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        public void Test1()
        {
            var outputFile = Path.Combine(FileRefs.OutputFolderPath, "SipperExecutorParameters1.xml");

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.DeleteLocalDatasetAfterProcessing      = false;
            parameters.FolderPathForCopiedRawDataset          = String.Empty;
            parameters.ReferenceDataForTargets                = @"C:\Sipper\SipperDemo\SipperInputs\Sample_ReferenceDataForTargets.txt";
            parameters.TargetedAlignmentIsPerformed           = false;
            parameters.TargetedAlignmentWorkflowParameterFile = String.Empty;
            parameters.TargetsBaseFolder     = @"C:\Sipper\SipperDemo\SipperInputs\Targets";
            parameters.TargetsFilePath       = @"C:\Sipper\SipperDemo\SipperInputs\Targets\sample_targets.txt";
            parameters.TargetsToFilterOn     = String.Empty;
            parameters.WorkflowParameterFile = @"C:\Sipper\SipperDemo\SipperInputs\SipperWorkflowParameters.xml";

            parameters.SaveParametersToXML(outputFile);
        }
Ejemplo n.º 9
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        public void test2()
        {
            var paramFile =
                @"\\protoapps\UserData\Slysz\Data\Yellowstone\SIPPER\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);

            var testDataset =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";

            var executor = new SipperWorkflowExecutor(parameters, testDataset);


            Assert.IsTrue(executor.ExecutorParameters.WorkflowType ==
                          Globals.TargetedWorkflowTypes.SipperWorkflowExecutor1);

            executor.Execute();
        }
Ejemplo n.º 10
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        public void ExecuteSipper_UsingSpecifiedTargets()
        {
            var paramFile =
                @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\SipperExecutorParams1.xml";

            var parameters = new SipperWorkflowExecutorParameters();

            parameters.LoadParameters(paramFile);
            parameters.DbName      = String.Empty;
            parameters.DbServer    = String.Empty;
            parameters.DbTableName = String.Empty;

            parameters.CopyRawFileLocal = false;

            parameters.ReferenceDataForTargets = @"\\protoapps\DataPkgs\Public\2012\548_YSIP_C12_C13_data_analysis\massTag_reference_file.txt";

            parameters.TargetsFilePath = @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Targets\Yellow_C13_070_23Mar10_Griffin_10-01-28_10practice_targets.txt";

            var testDataset = @"\\protoapps\UserData\Slysz\Standard_Testing\Targeted_FeatureFinding\SIPPER_standard_testing\Yellow_C13_070_23Mar10_Griffin_10-01-28.raw";

            var executor = new SipperWorkflowExecutor(parameters, testDataset);

            executor.Execute();
        }