public void TestAveragine()
{
var methodName = MethodBase.GetCurrentMethod().Name;
Utils.ShowStarting(methodName);
//for (var nominalMass = 1000; nominalMass <= 1000; nominalMass++)
//{
// Console.WriteLine("{0}\t{1}", nominalMass,
// string.Join(",", Averagine.GetIsotopomerEnvelopeFromNominalMass(nominalMass).Envelope.Select(v => string.Format("{0:f3}", v))));
//}
for (var nominalMass = 1000; nominalMass <= 50000; nominalMass++)
{
var averagine = Averagine.GetIsotopomerEnvelopeFromNominalMass(nominalMass);
}
}
/// <summary>
/// Initializes a new instance of the MainWindowViewModel class.
/// </summary>
/// <param name="dialogService">Service for view model friendly dialogs</param>
/// <param name="dataReader">Service for reading raw files, id files, and feature files</param>
public MainWindowViewModel(IMainDialogService dialogService, IDataReader dataReader)
{
this.dialogService = dialogService;
this.dataReader = dataReader;
// Initialize child view models
DataSets = new ReactiveList <DataSetViewModel> {
ChangeTrackingEnabled = true
};
CreateSequenceViewModel = new CreateSequenceViewModel(this.dialogService);
ScanViewModel = new ScanViewModel(this.dialogService, new List <PrSm>());
// Remove filter by unidentified scans from ScanViewModel filters
ScanViewModel.Filters.Remove(ScanViewModel.Filters.FirstOrDefault(f => f.Name == "Hide Unidentified Scans"));
// Create commands for file operations
OpenDataSetCommand = ReactiveCommand.CreateFromTask(async _ => await OpenDataSetImplementation());
OpenRawFileCommand = ReactiveCommand.CreateFromTask(async _ => await OpenRawFileImplementation());
OpenTsvFileCommand = ReactiveCommand.CreateFromTask(async _ => await OpenIdFileImplementation());
OpenFeatureFileCommand = ReactiveCommand.CreateFromTask(async _ => await OpenFeatureFileImplementation());
OpenFromDmsCommand = ReactiveCommand.CreateFromTask(async _ => await OpenFromDmsImplementation());
// Create command to open settings window
OpenSettingsCommand = ReactiveCommand.Create(() => this.dialogService.OpenSettings(new SettingsViewModel(this.dialogService)));
// Create command to open isotopic profile viewer
OpenIsotopicProfileViewerCommand = ReactiveCommand.Create(OpenIsotopicProfileViewer);
//this.OpenIsotopicProfileViewer(new object());
// Create command to open about box
OpenAboutBoxCommand = ReactiveCommand.Create(() => this.dialogService.OpenAboutBox());
// Create command to open new modification management window
OpenManageModificationsCommand = ReactiveCommand.Create(ManageModificationsImplementation);
// Create MSPathFinder search command
RunMsPathFinderSearchCommand = ReactiveCommand.Create(RunMsPathFinderSearchImplementation);
// Create export command
ExportResultsCommand = ReactiveCommand.Create(ExportResultsImplementation, DataSets.WhenAnyValue(x => x.Count).Select(count => count > 0));
// Create export command
QuitProgramCommand = ReactiveCommand.Create(() => this.dialogService.QuitProgram());
ShowSplash = true;
// When a data set sets its ReadyToClose property to true, remove it from dataset list
DataSets.ItemChanged.Where(x => x.PropertyName == "ReadyToClose")
.Select(x => x.Sender).Where(sender => sender.ReadyToClose)
.Subscribe(dataSet =>
{
ScanViewModel.RemovePrSmsFromRawFile(dataSet.Title);
DataSets.Remove(dataSet);
});
// If all datasets are closed, show splash screen
DataSets.BeforeItemsRemoved.Subscribe(x => ShowSplash = DataSets.Count == 1);
// If a dataset is opened, show splash screen
DataSets.BeforeItemsAdded.Subscribe(x => ShowSplash = false);
// When the data reader is reading an ID file, show the loading screen
this.dataReader.WhenAnyValue(x => x.ReadingIdFiles)
.Subscribe(readingIdFiles => IdFileLoading = readingIdFiles);
// When a PrSm is selected in the Protein Tree, make all data sets show the PrSm
ScanViewModel.WhenAnyValue(x => x.SelectedPrSm)
.Where(selectedPrSm => selectedPrSm != null)
.Subscribe(selectedPrSm =>
{
foreach (var dataSet in DataSets)
{
dataSet.SelectedPrSm = selectedPrSm;
}
});
// Warm up InformedProteomics Averagine using arbitrary mass
Task.Run(() => Averagine.GetIsotopomerEnvelopeFromNominalMass(50000));
}
