private void ExportLiveReport(string reportName, string reportFile, char reportColSeparator, bool reportInvariant)
{
var viewContext = DocumentGridViewContext.CreateDocumentGridViewContext(_doc, reportInvariant
? DataSchemaLocalizer.INVARIANT
: SkylineDataSchema.GetLocalizedSchemaLocalizer());
var viewInfo = viewContext.GetViewInfo(PersistedViews.MainGroup.Id.ViewName(reportName));
if (null == viewInfo)
{
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Error__The_report__0__does_not_exist__If_it_has_spaces_in_its_name__use__double_quotes__around_the_entire_list_of_command_parameters_, reportName);
return;
}
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Exporting_report__0____, reportName);
try
{
using (var saver = new FileSaver(reportFile))
{
if (!saver.CanSave())
{
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Error__The_report__0__could_not_be_saved_to__1__, reportName, reportFile);
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Check_to_make_sure_it_is_not_read_only_);
}
var status = new ProgressStatus(string.Empty);
IProgressMonitor broker = new CommandProgressMonitor(_out, status);
using (var writer = new StreamWriter(saver.SafeName))
{
viewContext.Export(broker, ref status, viewInfo, writer,
new DsvWriter(reportInvariant ? CultureInfo.InvariantCulture : LocalizationHelper.CurrentCulture, reportColSeparator));
}
broker.UpdateProgress(status.Complete());
saver.Commit();
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Report__0__exported_successfully_to__1__, reportName, reportFile);
}
}
catch (Exception x)
{
_out.WriteLine(Resources.CommandLine_ExportLiveReport_Error__Failure_attempting_to_save__0__report_to__1__, reportName, reportFile);
_out.WriteLine(x.Message);
}
}
public void ExportChromatograms(string chromatogramsFile, bool precursors, bool products, bool basePeaks, bool tics)
{
_out.WriteLine(Resources.CommandLine_ExportChromatograms_Exporting_chromatograms_file__0____, chromatogramsFile);
var chromExtractors = new List<ChromExtractor>();
if (tics)
chromExtractors.Add(ChromExtractor.summed);
if (basePeaks)
chromExtractors.Add(ChromExtractor.base_peak);
var chromSources = new List<ChromSource>();
if (precursors)
chromSources.Add(ChromSource.ms1);
if (products)
chromSources.Add(ChromSource.fragment);
if (chromExtractors.Count == 0 && chromSources.Count == 0)
{
_out.WriteLine(Resources.CommandLine_ExportChromatograms_Error__At_least_one_chromatogram_type_must_be_selected);
return;
}
var filesToExport = Document.Settings.HasResults
? Document.Settings.MeasuredResults.MSDataFilePaths.Select(f => f.GetFileName()).ToList()
: new List<string>();
if (filesToExport.Count == 0)
{
_out.WriteLine(Resources.CommandLine_ExportChromatograms_Error__The_document_must_have_imported_results);
return;
}
try
{
var chromExporter = new ChromatogramExporter(Document);
using (var saver = new FileSaver(chromatogramsFile))
using (var writer = new StreamWriter(saver.SafeName))
{
var status = new ProgressStatus(string.Empty);
IProgressMonitor broker = new CommandProgressMonitor(_out, status);
chromExporter.Export(writer, broker, filesToExport, LocalizationHelper.CurrentCulture, chromExtractors, chromSources);
writer.Close();
broker.UpdateProgress(status.Complete());
saver.Commit();
_out.WriteLine(Resources.CommandLine_ExportChromatograms_Chromatograms_file__0__exported_successfully_, chromatogramsFile);
}
}
catch (Exception x)
{
_out.WriteLine(Resources.CommandLine_ExportChromatograms_Error__Failure_attempting_to_save_chromatograms_file__0_, chromatogramsFile);
_out.WriteLine(x.Message);
}
}
protected override bool LoadBackground(IDocumentContainer container, SrmDocument document, SrmDocument docCurrent)
{
// Only allow one background proteome to load at a time. This can
// get tricky, if the user performs an undo and then a redo across
// a change in background proteome.
// Our first priority is doing the digestions, the second is accessing web
// services to add missing protein metadata.
lock (_lockLoadBackgroundProteome)
{
BackgroundProteome originalBackgroundProteome = GetBackgroundProteome(docCurrent);
// Check to see whether the Digestion already exists but has not been queried yet.
BackgroundProteome backgroundProteomeWithDigestions = new BackgroundProteome(originalBackgroundProteome, true);
if (IsNotLoadedExplained(docCurrent, backgroundProteomeWithDigestions, true) == null)
{
// digest is ready, and protein metdata is resolved
CompleteProcessing(container, backgroundProteomeWithDigestions);
return true;
}
// are we here to do the digest, or to resolve the protein metadata?
bool getMetadata = (IsNotLoadedExplained(docCurrent, backgroundProteomeWithDigestions, false) == null) &&
backgroundProteomeWithDigestions.NeedsProteinMetadataSearch;
string name = originalBackgroundProteome.Name;
ProgressStatus progressStatus =
new ProgressStatus(string.Format(getMetadata?Resources.BackgroundProteomeManager_LoadBackground_Resolving_protein_details_for__0__proteome:Resources.BackgroundProteomeManager_LoadBackground_Digesting__0__proteome, name));
try
{
using (FileSaver fs = new FileSaver(originalBackgroundProteome.DatabasePath, StreamManager))
{
File.Copy(originalBackgroundProteome.DatabasePath, fs.SafeName, true);
var digestHelper = new DigestHelper(this, container, docCurrent, name, fs.SafeName, true);
bool success;
if (getMetadata)
success = digestHelper.LookupProteinMetadata(ref progressStatus);
else
success = (digestHelper.Digest(ref progressStatus) != null);
if (!success)
{
// Processing was canceled
EndProcessing(docCurrent);
UpdateProgress(progressStatus.Cancel());
return false;
}
using (var proteomeDb = ProteomeDb.OpenProteomeDb(originalBackgroundProteome.DatabasePath))
{
proteomeDb.DatabaseLock.AcquireWriterLock(int.MaxValue);
try
{
if (!fs.Commit())
{
EndProcessing(docCurrent);
throw new IOException(
string.Format(
Resources
.BackgroundProteomeManager_LoadBackground_Unable_to_rename_temporary_file_to__0__,
fs.RealName));
}
}
finally
{
proteomeDb.DatabaseLock.ReleaseWriterLock();
}
}
CompleteProcessing(container, new BackgroundProteome(originalBackgroundProteome, true));
UpdateProgress(progressStatus.Complete());
return true;
}
}
catch (Exception x)
{
var message = new StringBuilder();
message.AppendLine(
string.Format(Resources.BackgroundProteomeManager_LoadBackground_Failed_updating_background_proteome__0__,
name));
message.Append(x.Message);
UpdateProgress(progressStatus.ChangeErrorException(new IOException(message.ToString(), x)));
return false;
}
}
}
private SrmDocument LookupProteinMetadata(SrmDocument docOrig, IProgressMonitor progressMonitor)
{
lock (_processedNodes)
{
// Check to make sure this operation was not canceled while this thread was
// waiting to acquire the lock. This also cleans up pending work.
if (progressMonitor.IsCanceled)
return null;
var progressStatus = new ProgressStatus(Resources.ProteinMetadataManager_LookupProteinMetadata_resolving_protein_details);
int nResolved = 0;
int nUnresolved = docOrig.PeptideGroups.Select(pg => pg.ProteinMetadata.NeedsSearch()).Count();
if ((nUnresolved > 0) && !docOrig.Settings.PeptideSettings.BackgroundProteome.IsNone)
{
// Do a quick check to see if background proteome already has the info
if (!docOrig.Settings.PeptideSettings.BackgroundProteome.NeedsProteinMetadataSearch)
{
try
{
using (var proteomeDb = docOrig.Settings.PeptideSettings.BackgroundProteome.OpenProteomeDb())
{
foreach (PeptideGroupDocNode nodePepGroup in docOrig.PeptideGroups)
{
if (_processedNodes.ContainsKey(nodePepGroup.Id.GlobalIndex))
{
// We did this before we were interrupted
progressMonitor.UpdateProgress(progressStatus = progressStatus.ChangePercentComplete(100 * nResolved++ / nUnresolved));
}
else if (nodePepGroup.ProteinMetadata.NeedsSearch())
{
var proteinMetadata = proteomeDb.GetProteinMetadataByName(nodePepGroup.Name);
if ((proteinMetadata == null) && !Equals(nodePepGroup.Name, nodePepGroup.OriginalName))
proteinMetadata = proteomeDb.GetProteinMetadataByName(nodePepGroup.OriginalName); // Original name might hit
if ((proteinMetadata == null) && !String.IsNullOrEmpty(nodePepGroup.ProteinMetadata.Accession))
proteinMetadata = proteomeDb.GetProteinMetadataByName(nodePepGroup.ProteinMetadata.Accession); // Parsed accession might hit
if ((proteinMetadata != null) && !proteinMetadata.NeedsSearch())
{
// Background proteome has already resolved this
_processedNodes.Add(nodePepGroup.Id.GlobalIndex, proteinMetadata);
progressMonitor.UpdateProgress(
progressStatus =
progressStatus.ChangePercentComplete(100*nResolved++/nUnresolved));
}
}
if (progressMonitor.IsCanceled)
{
progressMonitor.UpdateProgress(progressStatus.Cancel());
return null;
}
}
}
}
// ReSharper disable once EmptyGeneralCatchClause
catch
{
// The protDB file is busy, or some other issue - just go directly to web
}
}
}
if (nResolved != nUnresolved)
{
try
{
// Now go to the web for more protein metadata (or pretend to, depending on WebEnabledFastaImporter.DefaultWebAccessMode)
var docNodesWithUnresolvedProteinMetadata = new Dictionary<ProteinSearchInfo,PeptideGroupDocNode>();
var proteinsToSearch = new List<ProteinSearchInfo>();
foreach (PeptideGroupDocNode node in docOrig.PeptideGroups)
{
if (node.ProteinMetadata.NeedsSearch() && !_processedNodes.ContainsKey(node.Id.GlobalIndex)) // Did we already process this?
{
var proteinMetadata = node.ProteinMetadata;
if (proteinMetadata.WebSearchInfo.IsEmpty()) // Never even been hit with regex
{
// Use Regexes to get some metadata, and a search term
var parsedProteinMetaData = FastaImporter.ParseProteinMetaData(proteinMetadata);
if ((parsedProteinMetaData == null) || Equals(parsedProteinMetaData.Merge(proteinMetadata),proteinMetadata.SetWebSearchCompleted()))
{
// That didn't parse well enough to make a search term, or didn't add any new info - just set it as searched so we don't keep trying
_processedNodes.Add(node.Id.GlobalIndex, proteinMetadata.SetWebSearchCompleted());
progressMonitor.UpdateProgress(progressStatus = progressStatus.ChangePercentComplete(100 * nResolved++ / nUnresolved));
proteinMetadata = null; // No search to be done
}
else
{
proteinMetadata = proteinMetadata.Merge(parsedProteinMetaData); // Fill in any gaps with parsed info
}
}
if (proteinMetadata != null)
{
// We note the sequence length because it's useful in disambiguating search results
proteinsToSearch.Add(new ProteinSearchInfo(new DbProteinName(null, proteinMetadata),
node.PeptideGroup.Sequence == null ? 0 : node.PeptideGroup.Sequence.Length));
docNodesWithUnresolvedProteinMetadata.Add(proteinsToSearch.Last(), node);
}
}
}
if (progressMonitor.IsCanceled)
{
progressMonitor.UpdateProgress(progressStatus.Cancel());
return null;
}
progressMonitor.UpdateProgress(progressStatus = progressStatus.ChangePercentComplete(100 * nResolved / nUnresolved));
// Now we actually hit the internet
if (proteinsToSearch.Any())
{
foreach (var result in FastaImporter.DoWebserviceLookup(proteinsToSearch, progressMonitor, false)) // Resolve them all, now
{
Debug.Assert(!result.GetProteinMetadata().NeedsSearch());
_processedNodes.Add(docNodesWithUnresolvedProteinMetadata[result].Id.GlobalIndex, result.GetProteinMetadata());
progressMonitor.UpdateProgress(progressStatus = progressStatus.ChangePercentComplete(100 * nResolved++ / nUnresolved));
}
}
}
catch (OperationCanceledException)
{
progressMonitor.UpdateProgress(progressStatus.Cancel());
return null;
}
}
// And finally write back to the document
var listProteins = new List<PeptideGroupDocNode>();
foreach (PeptideGroupDocNode node in docOrig.MoleculeGroups)
{
if (_processedNodes.ContainsKey(node.Id.GlobalIndex))
{
listProteins.Add(node.ChangeProteinMetadata(_processedNodes[node.Id.GlobalIndex]));
}
else
{
listProteins.Add(node);
}
}
var docNew = docOrig.ChangeChildrenChecked(listProteins.Cast<DocNode>().ToArray());
progressMonitor.UpdateProgress(progressStatus.Complete());
return (SrmDocument)docNew;
}
}
private bool ExportReport(string fileName, char separator)
{
try
{
using (var saver = new FileSaver(fileName))
{
if (!saver.CanSave(this))
return false;
using (var writer = new StreamWriter(saver.SafeName))
{
Report report = GetReport();
bool success = false;
using (var longWait = new LongWaitDlg { Text = Resources.ExportReportDlg_ExportReport_Generating_Report })
{
longWait.PerformWork(this, 1500, broker =>
{
var status = new ProgressStatus(Resources.ExportReportDlg_GetDatabase_Analyzing_document);
broker.UpdateProgress(status);
Database database = EnsureDatabase(broker, 80, ref status);
if (broker.IsCanceled)
return;
broker.UpdateProgress(status = status.ChangeMessage(Resources.ExportReportDlg_ExportReport_Building_report));
ResultSet resultSet = report.Execute(database);
if (broker.IsCanceled)
return;
broker.UpdateProgress(status = status.ChangePercentComplete(95)
.ChangeMessage(Resources.ExportReportDlg_ExportReport_Writing_report));
ResultSet.WriteReportHelper(resultSet, separator, writer, CultureInfo);
writer.Flush();
writer.Close();
if (broker.IsCanceled)
return;
broker.UpdateProgress(status.Complete());
saver.Commit();
success = true;
});
}
return success;
}
}
}
catch (Exception x)
{
MessageDlg.ShowWithException(this, string.Format(Resources.ExportReportDlg_ExportReport_Failed_exporting_to, fileName, GetExceptionDisplayMessage(x)), x);
return false;
}
}
public static SrmDocument RecalculateAlignments(SrmDocument document, IProgressMonitor progressMonitor)
{
var newSources = ListAvailableRetentionTimeSources(document.Settings);
var newResultsSources = ListSourcesForResults(document.Settings.MeasuredResults, newSources);
var allLibraryRetentionTimes = ReadAllRetentionTimes(document, newSources);
var newFileAlignments = new List<FileRetentionTimeAlignments>();
var progressStatus = new ProgressStatus("Aligning retention times"); // Not L10N? Will users see this?
foreach (var retentionTimeSource in newResultsSources.Values)
{
progressStatus = progressStatus.ChangePercentComplete(100*newFileAlignments.Count/newResultsSources.Count);
progressMonitor.UpdateProgress(progressStatus);
try
{
var fileAlignments = CalculateFileRetentionTimeAlignments(retentionTimeSource.Name, allLibraryRetentionTimes, progressMonitor);
newFileAlignments.Add(fileAlignments);
}
catch (OperationCanceledException)
{
progressMonitor.UpdateProgress(progressStatus.Cancel());
return null;
}
}
var newDocRt = new DocumentRetentionTimes(newSources.Values, newFileAlignments);
var newDocument = document.ChangeSettings(document.Settings.ChangeDocumentRetentionTimes(newDocRt));
Debug.Assert(IsLoaded(newDocument));
progressMonitor.UpdateProgress(progressStatus.Complete());
return newDocument;
}
// ReSharper restore UnusedMember.Local
private bool Load(ILoadMonitor loader)
{
ProgressStatus status =
new ProgressStatus(string.Format(Resources.BiblioSpecLibrary_Load_Loading__0__library,
Path.GetFileName(FilePath)));
loader.UpdateProgress(status);
long lenRead = 0;
// AdlerChecksum checksum = new AdlerChecksum();
try
{
// Use a buffered stream for initial read
BufferedStream stream = new BufferedStream(CreateStream(loader), 32 * 1024);
int countHeader = (int) LibHeaders.count*4;
byte[] libHeader = new byte[countHeader];
if (stream.Read(libHeader, 0, countHeader) != countHeader)
throw new InvalidDataException(Resources.BiblioSpecLibrary_Load_Data_truncation_in_library_header_File_may_be_corrupted);
lenRead += countHeader;
// Check the first byte of the primary version number to determine
// whether the format is little- or big-endian. Little-endian will
// have the version number in this byte, while big-endian will have zero.
if (libHeader[(int) LibHeaders.version1 * 4] == 0)
_bigEndian = true;
int numSpectra = GetInt32(libHeader, (int) LibHeaders.num_spectra);
var dictLibrary = new Dictionary<LibKey, BiblioSpectrumInfo>(numSpectra);
var setSequences = new HashSet<LibSeqKey>();
string revStr = string.Format("{0}.{1}", // Not L10N
GetInt32(libHeader, (int) LibHeaders.version1),
GetInt32(libHeader, (int) LibHeaders.version2));
Revision = float.Parse(revStr, CultureInfo.InvariantCulture);
// checksum.MakeForBuff(libHeader, AdlerChecksum.ADLER_START);
countHeader = (int) SpectrumHeaders.count*4;
byte[] specHeader = new byte[1024];
byte[] specSequence = new byte[1024];
for (int i = 0; i < numSpectra; i++)
{
int percent = i * 100 / numSpectra;
if (status.PercentComplete != percent)
{
// Check for cancellation after each integer change in percent loaded.
if (loader.IsCanceled)
{
loader.UpdateProgress(status.Cancel());
return false;
}
// If not cancelled, update progress.
loader.UpdateProgress(status = status.ChangePercentComplete(percent));
}
// Read spectrum header
int bytesRead = stream.Read(specHeader, 0, countHeader);
if (bytesRead != countHeader)
throw new InvalidDataException(Resources.BiblioSpecLibrary_Load_Data_truncation_in_spectrum_header_File_may_be_corrupted);
// If this is the first header, and the sequence length is zero,
// then this is a Linux format library. Switch to linux format,
// and start over.
if (i == 0 && GetInt32(specHeader, (int)SpectrumHeaders.seq_len) == 0)
{
_linuxFormat = true;
stream.Seek(lenRead, SeekOrigin.Begin);
// Re-ead spectrum header
countHeader = (int)SpectrumHeadersLinux.count * 4;
bytesRead = stream.Read(specHeader, 0, countHeader);
if (bytesRead != countHeader)
throw new InvalidDataException(Resources.BiblioSpecLibrary_Load_Data_truncation_in_spectrum_header_File_may_be_corrupted);
}
lenRead += bytesRead;
// checksum.MakeForBuff(specHeader, checksum.ChecksumValue);
int charge = GetInt32(specHeader, (int)SpectrumHeaders.charge);
if (charge > TransitionGroup.MAX_PRECURSOR_CHARGE)
throw new InvalidDataException(Resources.BiblioSpecLibrary_Load_Invalid_precursor_charge_found_File_may_be_corrupted);
int numPeaks = GetInt32(specHeader, (int)SpectrumHeaders.num_peaks);
int seqLength = GetInt32(specHeader, (_linuxFormat ?
(int)SpectrumHeadersLinux.seq_len : (int)SpectrumHeaders.seq_len));
int copies = GetInt32(specHeader, (_linuxFormat ?
(int)SpectrumHeadersLinux.copies : (int)SpectrumHeaders.copies));
// Read sequence information
int countSeq = (seqLength + 1)*2;
if (stream.Read(specSequence, 0, countSeq) != countSeq)
throw new InvalidDataException(Resources.BiblioSpecLibrary_Load_Data_truncation_in_spectrum_sequence_File_may_be_corrupted);
lenRead += countSeq;
// checksum.MakeForBuff(specSequence, checksum.ChecksumValue);
// Store in dictionary
if (IsUnmodified(specSequence, seqLength + 1, seqLength))
{
// These libraries should not have duplicates, but just in case.
// CONSIDER: Emit error about redundancy?
// These legacy libraries assume [+57.0] modified Cysteine
LibKey key = new LibKey(GetCModified(specSequence, ref seqLength), 0, seqLength, charge);
if (!dictLibrary.ContainsKey(key))
dictLibrary.Add(key, new BiblioSpectrumInfo((short)copies, (short)numPeaks, lenRead));
setSequences.Add(new LibSeqKey(key));
}
// Read over peaks
int countPeaks = 2*sizeof(Single)*numPeaks;
stream.Seek(countPeaks, SeekOrigin.Current); // Skip spectrum
lenRead += countPeaks;
// checksum.MakeForBuff(specPeaks, checksum.ChecksumValue);
}
// Checksum = checksum.ChecksumValue;
_dictLibrary = dictLibrary;
_setSequences = setSequences;
loader.UpdateProgress(status.Complete());
return true;
}
catch (InvalidDataException x)
{
loader.UpdateProgress(status.ChangeErrorException(x));
return false;
}
catch (IOException x)
{
loader.UpdateProgress(status.ChangeErrorException(x));
return false;
}
catch (Exception x)
{
x = new Exception(string.Format(Resources.BiblioSpecLibrary_Load_Failed_loading_library__0__, FilePath), x);
loader.UpdateProgress(status.ChangeErrorException(x));
return false;
}
finally
{
if (ReadStream != null)
{
// Close the read stream to ensure we never leak it.
// This only costs on extra open, the first time the
// active document tries to read.
try { ReadStream.CloseStream(); }
catch(IOException) {}
}
}
}