public static ProcessedIrtAverages ProcessRetentionTimes(int?numCirt, IRetentionTimeProvider[] irtProviders,
DbIrtPeptide[] standardPeptides, DbIrtPeptide[] cirtPeptides, IrtRegressionType regressionType, IProgressMonitor monitor, out DbIrtPeptide[] newStandardPeptides)
{
newStandardPeptides = null;
var processed = !numCirt.HasValue
? RCalcIrt.ProcessRetentionTimes(monitor, irtProviders, standardPeptides, new DbIrtPeptide[0], regressionType)
: RCalcIrt.ProcessRetentionTimesCirt(monitor, irtProviders, cirtPeptides, numCirt.Value, regressionType, out newStandardPeptides);
return(processed);
}
public static void CreateIrtDb(string path, ProcessedIrtAverages processed, DbIrtPeptide[] standardPeptides, bool recalibrate, IrtRegressionType regressionType, IProgressMonitor monitor)
{
DbIrtPeptide[] newStandards = null;
if (recalibrate)
{
monitor.UpdateProgress(new ProgressStatus().ChangeSegments(0, 2));
newStandards = processed.RecalibrateStandards(standardPeptides).ToArray();
processed = RCalcIrt.ProcessRetentionTimes(monitor,
processed.ProviderData.Select(data => data.RetentionTimeProvider).ToArray(),
newStandards.ToArray(), new DbIrtPeptide[0], regressionType);
}
var irtDb = IrtDb.CreateIrtDb(path);
irtDb.AddPeptides(monitor, (newStandards ?? standardPeptides).Concat(processed.DbIrtPeptides).ToList());
}
private bool AddIrtLibraryTable(string path, IrtStandard standard)
{
if (!ImportPeptideSearch.HasDocLib || !ImportPeptideSearch.DocLib.IsLoaded)
{
return(false);
}
var lib = ImportPeptideSearch.DocLib;
ProcessedIrtAverages processed = null;
using (var longWait = new LongWaitDlg
{
Text = Resources.BuildPeptideSearchLibraryControl_AddIrtLibraryTable_Processing_Retention_Times
})
{
try
{
var status = longWait.PerformWork(WizardForm, 800, monitor =>
{
var irtProviders = lib.RetentionTimeProvidersIrt.ToArray();
if (!irtProviders.Any())
{
irtProviders = lib.RetentionTimeProviders.ToArray();
}
processed = RCalcIrt.ProcessRetentionTimes(monitor, irtProviders, irtProviders.Length, standard.Peptides.ToArray(), new DbIrtPeptide[0]);
});
if (status.IsError)
{
throw status.ErrorException;
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(WizardForm,
TextUtil.LineSeparate(Resources.BuildPeptideSearchLibraryControl_AddIrtLibraryTable_An_error_occurred_while_processing_retention_times_, x.Message), x);
return(false);
}
}
using (var resultsDlg = new AddIrtPeptidesDlg(AddIrtPeptidesLocation.spectral_library, processed))
{
if (resultsDlg.ShowDialog(this) != DialogResult.OK)
{
return(false);
}
}
var recalibrate = false;
if (processed.CanRecalibrateStandards(standard.Peptides))
{
using (var dlg = new MultiButtonMsgDlg(
TextUtil.LineSeparate(Resources.LibraryGridViewDriver_AddToLibrary_Do_you_want_to_recalibrate_the_iRT_standard_values_relative_to_the_peptides_being_added_,
Resources.LibraryGridViewDriver_AddToLibrary_This_can_improve_retention_time_alignment_under_stable_chromatographic_conditions_),
MultiButtonMsgDlg.BUTTON_YES, MultiButtonMsgDlg.BUTTON_NO, false))
{
if (dlg.ShowDialog(WizardForm) == DialogResult.Yes)
{
recalibrate = true;
}
}
}
using (var longWait = new LongWaitDlg
{
Text = Resources.BuildPeptideSearchLibraryControl_AddIrtLibraryTable_Adding_iRTs_to_Library
})
{
try
{
ImmutableList <DbIrtPeptide> newStandards = null;
var status = longWait.PerformWork(WizardForm, 800, monitor =>
{
if (recalibrate)
{
monitor.UpdateProgress(new ProgressStatus().ChangeSegments(0, 2));
newStandards = ImmutableList.ValueOf(processed.RecalibrateStandards(standard.Peptides));
processed = RCalcIrt.ProcessRetentionTimes(
monitor, processed.ProviderData.Select(data => data.Value.RetentionTimeProvider),
processed.ProviderData.Count, newStandards.ToArray(), new DbIrtPeptide[0]);
}
var irtDb = IrtDb.CreateIrtDb(path);
irtDb.AddPeptides(monitor, (newStandards ?? standard.Peptides).Concat(processed.DbIrtPeptides).ToList());
});
if (status.IsError)
{
throw status.ErrorException;
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(WizardForm,
TextUtil.LineSeparate(Resources.BuildPeptideSearchLibraryControl_AddIrtLibraryTable_An_error_occurred_trying_to_add_iRTs_to_the_library_, x.Message), x);
return(false);
}
}
return(true);
}
private bool AddIrts(LibraryManager.BuildState buildState)
{
try
{
Library lib;
ProcessedIrtAverages processed = null;
var initialMessage = Resources.LibraryBuildNotificationHandler_LibraryBuildCompleteCallback_Adding_iRTs_to_library;
using (var longWait = new LongWaitDlg {
Text = Resources.LibraryBuildNotificationHandler_LibraryBuildCompleteCallback_Adding_iRTs_to_library
})
{
var status = longWait.PerformWork(TopMostApplicationForm, 800, monitor =>
{
var initStatus = new ProgressStatus(initialMessage).ChangeSegments(0, 2);
monitor.UpdateProgress(initStatus);
lib = NotificationContainer.LibraryManager.TryGetLibrary(buildState.LibrarySpec) ??
NotificationContainer.LibraryManager.LoadLibrary(buildState.LibrarySpec, () => new DefaultFileLoadMonitor(monitor));
foreach (var stream in lib.ReadStreams)
{
stream.CloseStream();
}
if (longWait.IsCanceled)
{
return;
}
var irtProviders = lib.RetentionTimeProvidersIrt.ToArray();
if (!irtProviders.Any())
{
irtProviders = lib.RetentionTimeProviders.ToArray();
}
processed = RCalcIrt.ProcessRetentionTimes(monitor, irtProviders, irtProviders.Length,
buildState.IrtStandard.Peptides.ToArray(), new DbIrtPeptide[0]);
});
if (status.IsCanceled)
{
return(false);
}
if (status.IsError)
{
throw status.ErrorException;
}
}
using (var resultsDlg = new AddIrtPeptidesDlg(AddIrtPeptidesLocation.spectral_library, processed))
{
if (resultsDlg.ShowDialog(TopMostApplicationForm) != DialogResult.OK)
{
return(false);
}
}
var recalibrate = false;
if (processed.CanRecalibrateStandards(buildState.IrtStandard.Peptides))
{
using (var dlg = new MultiButtonMsgDlg(
TextUtil.LineSeparate(Resources.LibraryGridViewDriver_AddToLibrary_Do_you_want_to_recalibrate_the_iRT_standard_values_relative_to_the_peptides_being_added_,
Resources.LibraryGridViewDriver_AddToLibrary_This_can_improve_retention_time_alignment_under_stable_chromatographic_conditions_),
MultiButtonMsgDlg.BUTTON_YES, MultiButtonMsgDlg.BUTTON_NO, false))
{
if (dlg.ShowDialog(TopMostApplicationForm) == DialogResult.Yes)
{
recalibrate = true;
}
}
}
var processedDbIrtPeptides = processed.DbIrtPeptides.ToArray();
if (!processedDbIrtPeptides.Any())
{
return(false);
}
using (var longWait = new LongWaitDlg {
Text = Resources.LibraryBuildNotificationHandler_LibraryBuildCompleteCallback_Adding_iRTs_to_library
})
{
ImmutableList <DbIrtPeptide> newStandards = null;
var status = longWait.PerformWork(TopMostApplicationForm, 800, monitor =>
{
if (recalibrate)
{
monitor.UpdateProgress(new ProgressStatus().ChangeSegments(0, 2));
newStandards = ImmutableList.ValueOf(processed.RecalibrateStandards(buildState.IrtStandard.Peptides));
processed = RCalcIrt.ProcessRetentionTimes(
monitor, processed.ProviderData.Select(data => data.Value.RetentionTimeProvider),
processed.ProviderData.Count, newStandards.ToArray(), new DbIrtPeptide[0]);
}
var irtDb = IrtDb.CreateIrtDb(buildState.LibrarySpec.FilePath);
irtDb.AddPeptides(monitor, (newStandards ?? buildState.IrtStandard.Peptides).Concat(processedDbIrtPeptides).ToList());
});
if (status.IsError)
{
throw status.ErrorException;
}
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(TopMostApplicationForm,
TextUtil.LineSeparate(Resources.LibraryBuildNotificationHandler_LibraryBuildCompleteCallback_An_error_occurred_trying_to_add_iRTs_to_the_library_, x.Message), x);
return(false);
}
return(true);
}
public static bool AddIrts(Library lib, LibrarySpec libSpec, IrtStandard standard, Control parent, bool useTopMostForm = false)
{
if (lib == null || !lib.IsLoaded || standard == null || standard.Name.Equals(IrtStandard.EMPTY.Name))
{
return(false);
}
Control GetParent()
{
return(useTopMostForm ? FormUtil.FindTopLevelOpenForm(f => f is BuildLibraryNotification) ?? parent : parent);
}
IRetentionTimeProvider[] irtProviders = null;
var cirtPeptides = new DbIrtPeptide[0];
using (var longWait = new LongWaitDlg {
Text = Resources.LibraryBuildNotificationHandler_AddIrts_Loading_retention_time_providers
})
{
var status = longWait.PerformWork(GetParent(), 800, monitor =>
{
monitor.UpdateProgress(new ProgressStatus().ChangePercentComplete(-1));
irtProviders = lib.RetentionTimeProvidersIrt.ToArray();
if (!irtProviders.Any())
{
irtProviders = lib.RetentionTimeProviders.ToArray();
}
if (ReferenceEquals(standard, IrtStandard.CIRT_SHORT))
{
var libPeptides = irtProviders.SelectMany(provider => provider.PeptideRetentionTimes).Select(rt => rt.PeptideSequence).ToHashSet();
cirtPeptides = IrtStandard.CIRT.Peptides.Where(pep => libPeptides.Contains(pep.ModifiedTarget)).ToArray();
}
});
if (status.IsCanceled)
{
return(false);
}
if (status.IsError)
{
throw status.ErrorException;
}
}
int?numCirt = null;
if (cirtPeptides.Length >= RCalcIrt.MIN_PEPTIDES_COUNT)
{
using (var dlg = new AddIrtStandardsDlg(cirtPeptides.Length,
string.Format(
Resources.LibraryBuildNotificationHandler_AddIrts__0__distinct_CiRT_peptides_were_found__How_many_would_you_like_to_use_as_iRT_standards_,
cirtPeptides.Length)))
{
if (dlg.ShowDialog(GetParent()) != DialogResult.OK)
{
return(false);
}
numCirt = dlg.StandardCount;
}
}
var standardPeptides = standard.Peptides.ToArray();
ProcessedIrtAverages processed = null;
using (var longWait = new LongWaitDlg {
Text = Resources.LibraryBuildNotificationHandler_AddIrts_Processing_retention_times
})
{
try
{
var status = longWait.PerformWork(GetParent(), 800, monitor =>
{
processed = !numCirt.HasValue
? RCalcIrt.ProcessRetentionTimes(monitor, irtProviders, standardPeptides, new DbIrtPeptide[0])
: RCalcIrt.ProcessRetentionTimesCirt(monitor, irtProviders, cirtPeptides, numCirt.Value, out standardPeptides);
});
if (status.IsCanceled)
{
return(false);
}
if (status.IsError)
{
throw status.ErrorException;
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(GetParent(),
TextUtil.LineSeparate(
Resources.BuildPeptideSearchLibraryControl_AddIrtLibraryTable_An_error_occurred_while_processing_retention_times_,
x.Message), x);
return(false);
}
}
using (var resultsDlg = new AddIrtPeptidesDlg(AddIrtPeptidesLocation.spectral_library, processed))
{
if (resultsDlg.ShowDialog(GetParent()) != DialogResult.OK)
{
return(false);
}
}
var recalibrate = false;
if (processed.CanRecalibrateStandards(standardPeptides))
{
using (var dlg = new MultiButtonMsgDlg(
TextUtil.LineSeparate(Resources.LibraryGridViewDriver_AddToLibrary_Do_you_want_to_recalibrate_the_iRT_standard_values_relative_to_the_peptides_being_added_,
Resources.LibraryGridViewDriver_AddToLibrary_This_can_improve_retention_time_alignment_under_stable_chromatographic_conditions_),
MultiButtonMsgDlg.BUTTON_YES, MultiButtonMsgDlg.BUTTON_NO, false))
{
recalibrate = dlg.ShowDialog(GetParent()) == DialogResult.Yes;
}
}
var processedDbIrtPeptides = processed.DbIrtPeptides.ToArray();
if (!processedDbIrtPeptides.Any())
{
return(false);
}
using (var longWait = new LongWaitDlg {
Text = Resources.LibraryBuildNotificationHandler_AddIrts_Adding_iRTs_to_library
})
{
try
{
DbIrtPeptide[] newStandards = null;
var status = longWait.PerformWork(GetParent(), 800, monitor =>
{
if (recalibrate)
{
monitor.UpdateProgress(new ProgressStatus().ChangeSegments(0, 2));
newStandards = processed.RecalibrateStandards(standardPeptides).ToArray();
processed = RCalcIrt.ProcessRetentionTimes(monitor,
processed.ProviderData.Select(data => data.RetentionTimeProvider).ToArray(),
newStandards.ToArray(), new DbIrtPeptide[0]);
}
var irtDb = IrtDb.CreateIrtDb(libSpec.FilePath);
irtDb.AddPeptides(monitor, (newStandards ?? standardPeptides).Concat(processed.DbIrtPeptides).ToList());
});
if (status.IsError)
{
throw status.ErrorException;
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(GetParent(),
TextUtil.LineSeparate(
Resources.LibraryBuildNotificationHandler_AddIrts_An_error_occurred_trying_to_add_iRTs_to_the_library_,
x.Message), x);
return(false);
}
}
return(true);
}