public void UpdateInputDefaults(MFEInputParameters allParameters)
{
AllInputsParameters = allParameters;
MassHunterProcessingPSet = AllInputsParameters.AllParameters[MFEPSetKeys.MASS_HUNTER_PROCESSING] as IPSetMassHunterProcessing;
PeakFilterStatus = 8;
ChargeStateAssignmentPSet = AllInputsParameters.AllParameters[MFEPSetKeys.CHARGE_STATE_ASSIGNMENT] as IPSetChargeStateAssignment;
IsotopeTypeInd = 2;
AlignmentInfoPSet = AllInputsParameters.AllParameters[MFEPSetKeys.ALIGNMENT_INFO] as IPSetAlignmentInfo;
CPDGroupFiltersPset = AllInputsParameters.AllParameters[MFEPSetKeys.MFE_CPD_GROUP_FILTERS] as IPSetCpdGroupFilters;
}
private void SaveParameters(MFEInputParameters mfeInputParams)
{
IPSetAlignmentInfo pSetAlignmentInfo = mfeInputParams.AllParameters[MFEPSetKeys.ALIGNMENT_INFO] as IPSetAlignmentInfo;
IPSetChargeStateAssignment chargeStateInfo = mfeInputParams.AllParameters[MFEPSetKeys.CHARGE_STATE_ASSIGNMENT] as IPSetChargeStateAssignment;
IPSetMassHunterProcessing mfeProcessingInfo = mfeInputParams.AllParameters[MFEPSetKeys.MASS_HUNTER_PROCESSING] as IPSetMassHunterProcessing;
PSetCpdGroupFilters filterInfo = mfeInputParams.AllParameters[MFEPSetKeys.MFE_CPD_GROUP_FILTERS] as PSetCpdGroupFilters;
InputParametersUtil.SavePSet(qualAppLogic, pSetAlignmentInfo, QualDAMethod.ParamKeyAlignmentInformation);
InputParametersUtil.SavePSet(qualAppLogic, chargeStateInfo, QualDAMethod.ParamKeyMSChargeStateAssignment);
InputParametersUtil.SavePSet(qualAppLogic, mfeProcessingInfo, QualDAMethod.ParamKeyMFEProcessing);
InputParametersUtil.SavePSet(qualAppLogic, filterInfo, QualDAMethod.ParamKeyCpdGroupFilters);
}
/// <summary>
///
///
/// </summary>
public List <DataTypes.ICompoundGroup> Execute(MFEInputParameters mfeInputParams)
{
List <DataTypes.ICompoundGroup> compoundGroups = new List <DataTypes.ICompoundGroup>();
try
{
SaveParameters(mfeInputParams);
ExecuteScript(Analyses, m_analysisFiles);
compoundGroups = FindCompounds();
}
catch (Exception e)
{
Console.WriteLine(e.StackTrace);
throw e;
}
return(compoundGroups);
}
public MFEInputParameters GetParameters()
{
MFEInputParameters mfeInputParams = new MFEInputParameters();
IPSetAlignmentInfo pSetAlignment = InputParametersUtil.GetAlignmentParameters(qualAppLogic);
mfeInputParams.AllParameters.Add(MFEPSetKeys.ALIGNMENT_INFO, pSetAlignment);
IPSetMassHunterProcessing extractionParams = InputParametersUtil.GetMFEProcessingParameters(qualAppLogic);
mfeInputParams.AllParameters.Add(MFEPSetKeys.MASS_HUNTER_PROCESSING, extractionParams);
IPSetChargeStateAssignment chargestateParams = InputParametersUtil.GetChargeStateParameters(qualAppLogic);
mfeInputParams.AllParameters.Add(MFEPSetKeys.CHARGE_STATE_ASSIGNMENT, chargestateParams);
PSetCpdGroupFilters filterInfo = InputParametersUtil.GetFilterParameters(qualAppLogic);
mfeInputParams.AllParameters.Add(MFEPSetKeys.MFE_CPD_GROUP_FILTERS, filterInfo);
return(mfeInputParams);
}
private void runMFE(MFEInputParameters mfeInputs)
{
if (MFEExecutor == null)
{
throw new Exception("MFE executor instance not found.");
}
try
{
List <DataTypes.ICompoundGroup> compoundGroups = MFEExecutor.Execute(mfeInputs);
this.ExperimentContext.CompoundGroups = compoundGroups;
EventAggregator.GetEvent <CompoundGroupsGenerated>().Publish(true);
//SetApplicationState("MFEExecuted");
ActivateNextWorkflowPhase();
} catch (Exception e) {
Console.WriteLine(e.StackTrace);
throw new Exception("MFE execution failed. " + e.Message);
}
}
private void LoadMFEInputs()
{
try
{
if (MFEExecutor != null)
{
MFEInputParameters mfeParams = MFEExecutor.GetParameters();
this.EventAggregator.GetEvent <MFEInputsLoaded>().Publish(mfeParams);
}
else
{
throw new Exception("MFE executor instance not found.");
}
} catch (Exception ex)
{
Console.WriteLine(ex.StackTrace);
MessageBox.Show(ex.Message);
}
}
