public void Test1() { TargetedWorkflowParameters o16o18workflowParameters = new O16O18WorkflowParameters(); var parentWorkflow = new O16O18IqWorkflow(o16o18workflowParameters); TargetedWorkflowParameters workflowParameters = new BasicTargetedWorkflowParameters(); var childWorkflow = new BasicIqWorkflow(workflowParameters); IqTarget parentTarget = new IqChargeStateTarget(); IqTarget childTarget1 = new IqChargeStateTarget(); IqTarget childTarget2 = new IqChargeStateTarget(); IqTarget childTarget3 = new IqChargeStateTarget(); parentTarget.AddTarget(childTarget1); parentTarget.AddTarget(childTarget2); parentTarget.AddTarget(childTarget3); var workflowAssigner = new IqWorkflowAssigner(); workflowAssigner.AssignWorkflowToParent(parentWorkflow, parentTarget); workflowAssigner.AssignWorkflowToChildren(childWorkflow, parentTarget); Assert.IsNotNull(parentTarget.ChildTargets().First().Workflow); var childTargets = parentTarget.ChildTargets(); foreach (var childTarget in childTargets) { Assert.IsTrue(childTarget.Workflow is BasicIqWorkflow); } Assert.IsTrue(parentTarget.Workflow is O16O18IqWorkflow); }
public void ChromCorrelatorTest1() { var rawFilename = @"D:\Data\O16O18\Vlad_Mouse\mhp_plat_test_1_14April13_Frodo_12-12-04.raw"; var run = new RunFactory().CreateRun(rawFilename); WorkflowExecutorBaseParameters executorBaseParameters = new BasicTargetedWorkflowExecutorParameters(); var executor = new IqExecutor(executorBaseParameters, run); executor.LoadChromData(run); var workflowAssigner = new IqWorkflowAssigner(); TargetedWorkflowParameters workflowParameters = new O16O18WorkflowParameters(); IqWorkflow workflow = new O16O18IqWorkflow(run, workflowParameters); IqTarget iqTarget = new IqChargeStateTarget(); iqTarget.EmpiricalFormula = "C58H100N18O20"; iqTarget.Code = "GAAQNIIPASTGAAK"; iqTarget.ID = 1093; iqTarget.ChargeState = 0; var iqTargetList = new List <IqTarget>(); iqTargetList.Add(iqTarget); var utilities = new IqTargetUtilities(); utilities.CreateChildTargets(iqTargetList); workflowAssigner.AssignWorkflowToParent(workflow, iqTargetList); workflowAssigner.AssignWorkflowToChildren(workflow, iqTargetList); var theorFeatureGenerator = new JoshTheorFeatureGenerator(); foreach (var target in iqTarget.ChildTargets()) { utilities.UpdateTargetMissingInfo(target); target.TheorIsotopicProfile = theorFeatureGenerator.GenerateTheorProfile(target.EmpiricalFormula, target.ChargeState); } foreach (var childTarget in iqTarget.ChildTargets()) { var result = childTarget.CreateResult(); var correlator = new O16O18ChromCorrelator(7, 0.1, 20, Globals.ToleranceUnit.PPM); var corrData = correlator.CorrelateData(run, result, 5700, 6500); var corrDataItem1 = corrData.CorrelationDataItems.First(); Console.WriteLine("z= \t" + childTarget.ChargeState + "\tCorrelationData (slope,intercept,rsquared)= \t" + corrDataItem1); } }