public void OnProcessAllTarget(double hcdError, double cidError, FragmentationMode fragmentationMode, int numResultsPerScanToInclude)
{
IProgress <int> progress = new Progress <int>(ReportGlobalWorkflowProgress);
// Make sure to only look at targets that match the fragmentation mode
var targetsToProcess = LipidTargetList.Where(x => x.LipidTarget.FragmentationMode == fragmentationMode);
// Run global analysis
LipidGroupSearchResultList = new List <LipidGroupSearchResult>();
IEnumerable <IGrouping <double, LipidGroupSearchResult> > resultsGrouped;
List <LipidGroupSearchResult> lipidGroupSearchResultList;
if (AverageSpec)
{
lipidGroupSearchResultList = GlobalWorkflow.RunGlobalWorkflowAvgSpec(targetsToProcess, LcMsRun, hcdError, cidError, ScoreModel, progress);
resultsGrouped = lipidGroupSearchResultList.GroupBy(x => x.SpectrumSearchResult.HcdSpectrum?.IsolationWindow.IsolationWindowTargetMz ?? x.SpectrumSearchResult.CidSpectrum.IsolationWindow.IsolationWindowTargetMz);
}
else
{
lipidGroupSearchResultList = GlobalWorkflow.RunGlobalWorkflow(targetsToProcess, LcMsRun, hcdError, cidError, ScoreModel, progress);
resultsGrouped = lipidGroupSearchResultList.GroupBy(x => x.SpectrumSearchResult.HcdSpectrum?.ScanNum ?? (double)x.SpectrumSearchResult.CidSpectrum.ScanNum);
}
// Group results of same scan together
// Grab the result(s) with the best score
foreach (var group in resultsGrouped)
{
var groupOrdered = group.OrderByDescending(x => x.Score).ToList();
for (var i = 0; i < numResultsPerScanToInclude && i < groupOrdered.Count; i++)
{
var resultToAdd = groupOrdered[i];
LipidGroupSearchResultList.Add(resultToAdd);
}
}
OnPropertyChanged("LipidGroupSearchResultList");
progress.Report(0);
}
public void LoadMoreLipidTargets(string fileLocation)
{
IProgress <int> progress = new Progress <int>(ReportLipidTargetLoadProgress);
var fileInfo = new FileInfo(fileLocation);
var lipidReader = new LipidMapsDbReader <Lipid>();
var lipidList = lipidReader.ReadFile(fileInfo, progress);
foreach (var lipid in lipidList)
{
LipidTargetList.Add(lipid);
}
OnPropertyChanged("LipidTargetList");
//// Reset and populate the list of lipid classes
//this.LipidClassList = new List<LipidClass>();
//var groupByLipidClass = this.LipidTargetList.GroupBy(x => x.LipidTarget.LipidClass);
//foreach (LipidClass lipidClass in groupByLipidClass.Select(@group => @group.Key))
//{
// this.LipidClassList.Add(lipidClass);
//}
//if (this.LipidClassList.Count > 0)
//{
// LipidClass lipidClass = this.LipidClassList[0];
// this.CurrentLipidClass = lipidClass;
// this.CurrentLipidTargetList = this.LipidTargetList.Where(x => x.LipidClass == lipidClass).ToList();
// OnPropertyChanged("CurrentLipidClass");
//}
//OnPropertyChanged("LipidClassList");
//OnPropertyChanged("CurrentLipidTargetList");
// Reset the progress bar back to 0
progress.Report(0);
}
