protected override void OnLoad(EventArgs e) { searchPathTextBox.Text = String.Join(";", Util.StringCollectionToStringArray(Properties.Settings.Default.SourcePaths)); extensionsTextBox.Text = Properties.Settings.Default.SourceExtensions; embeddedChanges = false; // TODO: set these from global defaults? _defaultIsobaricConfig = new Embedder.QuantitationConfiguration() { QuantitationMethod = QuantitationMethod.ITRAQ4plex }; _defaultXicConfig = new Embedder.XICConfiguration(); _isobaricConfigBySource = new Dictionary <int, Embedder.QuantitationConfiguration>(); _xicConfigBySource = new Dictionary <int, Embedder.XICConfiguration>(); CancelRequested = false; EmbedInProgress = false; if (Owner != null && StartPosition == FormStartPosition.CenterParent) { Location = new Point(Owner.Location.X + Owner.Width / 2 - Width / 2, Owner.Location.Y + Owner.Height / 2 - Height / 2); } base.OnLoad(e); Refresh(); }
private void defaultXICSettingsButton_Click(object sender, EventArgs e) { var maxQValue = 0.05; var mostRecentFilter = session.Query <PersistentDataFilter>().OrderByDescending(o => o.Id).FirstOrDefault(); if (mostRecentFilter != null) { maxQValue = mostRecentFilter.MaximumQValue; } var quantitationSettingsForm = new QuantitationSettingsForm(_defaultXicConfig, _defaultIsobaricConfig, maxQValue); if (quantitationSettingsForm.ShowDialog() == DialogResult.OK) { foreach (DataGridViewRow row in dataGridView.Rows) { var method = QuantitationMethodForRow(row.Index); if (IsLabelFree(method)) { row.Cells[quantitationSettingsColumn.Index].Value = quantitationSettingsForm.XicConfig; } else if (IsIsobaric(method)) { row.Cells[quantitationSettingsColumn.Index].Value = quantitationSettingsForm.IsobaricConfig; } else { row.Cells[quantitationSettingsColumn.Index].Value = "n/a"; } } _defaultIsobaricConfig = quantitationSettingsForm.IsobaricConfig; _defaultXicConfig = quantitationSettingsForm.XicConfig; } }
private void StartButton_Click(object sender, EventArgs e) { var cloValue = (double)ChromatogramMzLowerOffsetValueBox.Value; var cloUnits = (MZTolerance.Units)ChromatogramMzLowerOffsetUnitsBox.SelectedIndex; var cuoValue = (double)ChromatogramMzUpperOffsetValueBox.Value; var cuoUnits = (MZTolerance.Units)ChromatogramMzUpperOffsetUnitsBox.SelectedIndex; var rtMax = (int)Math.Round(RTTolUpperBox.Value); var rtMin = (int)Math.Round(RTTolLowerBox.Value); var maMax = (int)Math.Round(MonoisotopicAdjustmentMaxBox.Value); var maMin = (int)Math.Round(MonoisotopicAdjustmentMinBox.Value); XicConfig = new Embedder.XICConfiguration { ChromatogramMzLowerOffset = new MZTolerance(cloValue, cloUnits), ChromatogramMzUpperOffset = new MZTolerance(cuoValue, cuoUnits), RetentionTimeLowerTolerance = rtMin, RetentionTimeUpperTolerance = rtMax, MonoisotopicAdjustmentMax = maMax, MonoisotopicAdjustmentMin = maMin, MaxQValue = _maxQValue, AlignRetentionTime = RTAlignBox.Checked }; IsobaricConfig = new Embedder.QuantitationConfiguration { QuantitationMethod = IsobaricConfig.QuantitationMethod, ReporterIonMzTolerance = new MZTolerance((double)reporterIonToleranceUpDown.Value, (MZTolerance.Units)reporterIonToleranceUnits.SelectedIndex), NormalizeIntensities = normalizeReporterIonsCheckBox.Checked }; DialogResult = DialogResult.OK; }
public QuantitationSettingsForm(Embedder.XICConfiguration oldXicConfig, Embedder.QuantitationConfiguration oldIsobaricConfig, double maxQValue) { XicConfig = oldXicConfig; IsobaricConfig = oldIsobaricConfig; _maxQValue = maxQValue; InitializeComponent(); }
public QuantitationSettingsForm(Embedder.XICConfiguration oldXicConfig, Embedder.QuantitationConfiguration oldIsobaricConfig, double maxQValue) { XicConfig = oldXicConfig; IsobaricConfig = oldIsobaricConfig; _maxQValue = maxQValue; InitializeComponent(); }
private void dataGridView_CellDoubleClick(object sender, DataGridViewCellEventArgs e) { var maxQValue = 0.05; var mostRecentFilter = session.Query <PersistentDataFilter>().OrderByDescending(o => o.Id).FirstOrDefault(); if (mostRecentFilter != null) { maxQValue = mostRecentFilter.MaximumQValue; } if (e.ColumnIndex == quantitationSettingsColumn.Index) { var row = dataGridView.Rows[e.RowIndex]; var method = QuantitationMethodForRow(e.RowIndex); if (method == QuantitationMethod.None) { return; } var currentXicConfig = new Embedder.XICConfiguration(); var currentQuantitationConfig = new Embedder.QuantitationConfiguration(); if (IsLabelFree(method)) { currentXicConfig = (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.XICConfiguration) ?? currentXicConfig; var quantSettingsForm = new QuantitationSettingsForm((row.Cells[quantitationSettingsColumn.Index].Value as Embedder.XICConfiguration), _defaultIsobaricConfig, maxQValue); if (quantSettingsForm.ShowDialog() == DialogResult.OK) { row.Cells[quantitationSettingsColumn.Index].Value = quantSettingsForm.XicConfig; _xicConfigBySource[e.RowIndex] = quantSettingsForm.XicConfig; } } else if (IsIsobaric(method)) { currentQuantitationConfig = (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.QuantitationConfiguration) ?? currentQuantitationConfig; var quantSettingsForm = new QuantitationSettingsForm(_defaultXicConfig, (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.QuantitationConfiguration), maxQValue); if (quantSettingsForm.ShowDialog() == DialogResult.OK) { row.Cells[quantitationSettingsColumn.Index].Value = quantSettingsForm.IsobaricConfig; _isobaricConfigBySource[e.RowIndex] = quantSettingsForm.IsobaricConfig; } } } }
private void embedAllButton_Click(object sender, EventArgs e) { var searchPath = new StringBuilder(searchPathTextBox.Text); string extensions = extensionsTextBox.Text; Application.UseWaitCursor = true; deleteAllButton.Enabled = embedAllButton.Enabled = false; embeddedChanges = true; try { // add location of original idpDBs to the search path var mergedFilepaths = session.CreateSQLQuery("SELECT DISTINCT Filepath FROM MergedFiles").List <string>(); foreach (var filepath in mergedFilepaths) { searchPath.AppendFormat(";{0}", System.IO.Path.GetDirectoryName(filepath)); } } catch { // ignore if MergedFiles does not exist } var quantitationMethodBySource = new Dictionary <int, Embedder.QuantitationConfiguration>(); var xicConfigBySource = new Dictionary <int, Embedder.XICConfiguration> { { 0, _defaultXicConfig } }; foreach (DataGridViewRow row in dataGridView.Rows) { int id = (int)row.Cells[idColumn.Index].Value; var method = QuantitationMethodForRow(row.Index); if (IsLabelFree(method)) { xicConfigBySource[id] = (Embedder.XICConfiguration)row.Cells[quantitationSettingsColumn.Index].Value; quantitationMethodBySource[id] = new Embedder.QuantitationConfiguration(QuantitationMethod.LabelFree, _defaultIsobaricConfig.ToString()); } else if (IsIsobaric(method)) { quantitationMethodBySource[id] = (Embedder.QuantitationConfiguration)row.Cells[quantitationSettingsColumn.Index].Value; } } okButton.Text = "Cancel"; EmbedInProgress = true; new Thread(() => { try { var ilr = new IterationListenerRegistry(); ilr.addListener(new EmbedderIterationListener(this), 1); var tempFolder = string.Empty; var splitSourceList = new List <List <string> >(); if (quantitationMethodBySource.Any(x => IsLabelFree(x.Value.QuantitationMethod)) && xicConfigBySource.Any(x => x.Value.AlignRetentionTime)) { tempFolder = getTempFolder(); splitSourceList = GetRTAlignGroups(); } string idpDbFilepath = session.Connection.GetDataSource(); if (embedScanTimeOnlyBox.Checked) { Embedder.EmbedScanTime(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, ilr); } else { Embedder.Embed(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, ilr); } if (quantitationMethodBySource.Any(x => IsLabelFree(x.Value.QuantitationMethod))) { BeginInvoke(new MethodInvoker(() => ModeandDefaultPanel.Visible = false)); if (xicConfigBySource.Any(x => x.Value.AlignRetentionTime)) { try { RTAlignPreparations(splitSourceList, tempFolder); foreach (var kvp in xicConfigBySource) { kvp.Value.RTFolder = tempFolder; } } catch (Exception rtError) { MessageBox.Show("Error: Cannot prepare RT alignment. Skipping to next stage." + Environment.NewLine + rtError.Message); foreach (var kvp in xicConfigBySource) { kvp.Value.AlignRetentionTime = false; } } } Embedder.EmbedMS1Metrics(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, xicConfigBySource, ilr); if (!string.IsNullOrEmpty(tempFolder) && Directory.Exists(tempFolder)) { Directory.Delete(tempFolder, true); } BeginInvoke(new MethodInvoker(() => ModeandDefaultPanel.Visible = true)); } } catch (Exception ex) { if (ex.Message.Contains("QuantitationConfiguration")) { string message = ex.Message.Replace("[QuantitationConfiguration] ", ""); message = Char.ToUpper(message[0]) + message.Substring(1); MessageBox.Show(message); } else if (ex.Message.Contains("no filepath")) { bool multipleMissingFilepaths = ex.Message.Contains("\n"); string missingFilepaths = ex.Message.Replace("\n", "\r\n"); missingFilepaths = missingFilepaths.Replace("[embed] no", "No"); missingFilepaths = missingFilepaths.Replace("[embedScanTime] no", "No"); MessageBox.Show(missingFilepaths + "\r\n\r\nCheck that " + (multipleMissingFilepaths ? "these source files" : "this source file") + " can be found in the search path with one of the specified extensions."); } else { Program.HandleException(ex); } } BeginInvoke(new MethodInvoker(() => Refresh())); }).Start(); }
public override void Refresh() { Text = "Embed Subset Spectra"; Application.UseWaitCursor = false; dataGridView.SuspendLayout(); dataGridView.Rows.Clear(); var rows = session.CreateSQLQuery( "SELECT ss.Id, Name, COUNT(s.Id), IFNULL((SELECT LENGTH(MsDataBytes) FROM SpectrumSourceMetadata WHERE Id=ss.Id), 0), MIN(IFNULL(s.ScanTimeInSeconds, 0)), QuantitationMethod, IFNULL(QuantitationSettings, '') " + "FROM SpectrumSource ss " + "JOIN UnfilteredSpectrum s ON ss.Id=Source " + "GROUP BY ss.Id") .List <object[]>() .Select(o => new { Id = Convert.ToInt32(o[0]), Name = (string)o[1], Spectra = Convert.ToInt32(o[2]), EmbeddedSize = Convert.ToInt32(o[3]), MinScanTime = Convert.ToDouble(o[4]), QuantitationMethodIndex = Convert.ToInt32(o[5]), QuantitationSettings = (string)o[6] }); hasEmbeddedSources = hasNonEmbeddedSources = false; _isobaricConfigBySource.Clear(); _xicConfigBySource.Clear(); foreach (var row in rows) { string status; if (row.EmbeddedSize > 0) { status = String.Format("{0} spectra embedded ({1} bytes)", row.Spectra, row.EmbeddedSize); hasEmbeddedSources = true; } else if (row.QuantitationMethodIndex != 0) { status = String.Format("{0} spectra with quantitation", row.Spectra); hasEmbeddedSources = true; hasNonEmbeddedSources = true; } else if (row.MinScanTime > 0) { status = String.Format("{0} spectra with scan times", row.Spectra); hasEmbeddedSources = true; hasNonEmbeddedSources = true; } else { status = "not embedded"; hasNonEmbeddedSources = true; } var quantitationMethod = (QuantitationMethod)row.QuantitationMethodIndex; if (IsLabelFree(quantitationMethod)) { var savedSettings = new Embedder.XICConfiguration(row.QuantitationSettings); _xicConfigBySource[row.Id] = savedSettings; dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], savedSettings); } else if (IsIsobaric(quantitationMethod)) { var savedSettings = new Embedder.QuantitationConfiguration(quantitationMethod, row.QuantitationSettings); _isobaricConfigBySource[row.Id] = savedSettings; dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], savedSettings); } else { dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], "n/a"); } } dataGridView.ResumeLayout(); if (dataGridView.Rows.Cast <DataGridViewRow>().Any(x => x.Cells[quantitationMethodColumn.Index].Value.ToString() != "None")) { embedScanTimeOnlyBox.Text = "Embed scan times and quantitation only"; } else { embedScanTimeOnlyBox.Text = "Embed scan times only"; } deleteAllButton.Enabled = hasEmbeddedSources; embedAllButton.Enabled = hasNonEmbeddedSources; okButton.Text = "Close"; okButton.Enabled = true; CancelRequested = false; EmbedInProgress = false; if (TaskbarManager.IsPlatformSupported) { TaskbarManager.Instance.SetProgressState(TaskbarProgressBarState.NoProgress); } base.Refresh(); }
protected override void OnLoad (EventArgs e) { searchPathTextBox.Text = String.Join(";", Util.StringCollectionToStringArray(Properties.Settings.Default.SourcePaths)); extensionsTextBox.Text = Properties.Settings.Default.SourceExtensions; embeddedChanges = false; // TODO: set these from global defaults? _defaultIsobaricConfig = new Embedder.QuantitationConfiguration() { QuantitationMethod = QuantitationMethod.ITRAQ4plex }; _defaultXicConfig = new Embedder.XICConfiguration(); _isobaricConfigBySource = new Dictionary<int, Embedder.QuantitationConfiguration>(); _xicConfigBySource = new Dictionary<int, Embedder.XICConfiguration>(); CancelRequested = false; EmbedInProgress = false; if (Owner != null && StartPosition == FormStartPosition.CenterParent) Location = new Point(Owner.Location.X + Owner.Width / 2 - Width / 2, Owner.Location.Y + Owner.Height / 2 - Height / 2); base.OnLoad(e); Refresh(); }
private void dataGridView_CellDoubleClick(object sender, DataGridViewCellEventArgs e) { var maxQValue = 0.05; var mostRecentFilter = session.Query<PersistentDataFilter>().OrderByDescending(o => o.Id).FirstOrDefault(); if (mostRecentFilter != null) maxQValue = mostRecentFilter.MaximumQValue; if (e.ColumnIndex == quantitationSettingsColumn.Index) { var row = dataGridView.Rows[e.RowIndex]; var method = QuantitationMethodForRow(e.RowIndex); if (method == QuantitationMethod.None) return; var currentXicConfig = new Embedder.XICConfiguration(); var currentQuantitationConfig = new Embedder.QuantitationConfiguration(); if (IsLabelFree(method)) { currentXicConfig = (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.XICConfiguration) ?? currentXicConfig; var quantSettingsForm = new QuantitationSettingsForm((row.Cells[quantitationSettingsColumn.Index].Value as Embedder.XICConfiguration), _defaultIsobaricConfig, maxQValue); if (quantSettingsForm.ShowDialog() == DialogResult.OK) { row.Cells[quantitationSettingsColumn.Index].Value = quantSettingsForm.XicConfig; _xicConfigBySource[e.RowIndex] = quantSettingsForm.XicConfig; } } else if (IsIsobaric(method)) { currentQuantitationConfig = (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.QuantitationConfiguration) ?? currentQuantitationConfig; var quantSettingsForm = new QuantitationSettingsForm(_defaultXicConfig, (row.Cells[quantitationSettingsColumn.Index].Value as Embedder.QuantitationConfiguration), maxQValue); if (quantSettingsForm.ShowDialog() == DialogResult.OK) { row.Cells[quantitationSettingsColumn.Index].Value = quantSettingsForm.IsobaricConfig; _isobaricConfigBySource[e.RowIndex] = quantSettingsForm.IsobaricConfig; } } } }
private void defaultXICSettingsButton_Click(object sender, EventArgs e) { var maxQValue = 0.05; var mostRecentFilter = session.Query<PersistentDataFilter>().OrderByDescending(o => o.Id).FirstOrDefault(); if (mostRecentFilter != null) maxQValue = mostRecentFilter.MaximumQValue; var quantitationSettingsForm = new QuantitationSettingsForm(_defaultXicConfig, _defaultIsobaricConfig, maxQValue); if (quantitationSettingsForm.ShowDialog() == DialogResult.OK) { foreach (DataGridViewRow row in dataGridView.Rows) { var method = QuantitationMethodForRow(row.Index); if (IsLabelFree(method)) row.Cells[quantitationSettingsColumn.Index].Value = quantitationSettingsForm.XicConfig; else if (IsIsobaric(method)) row.Cells[quantitationSettingsColumn.Index].Value = quantitationSettingsForm.IsobaricConfig; else row.Cells[quantitationSettingsColumn.Index].Value = "n/a"; } _defaultIsobaricConfig = quantitationSettingsForm.IsobaricConfig; _defaultXicConfig = quantitationSettingsForm.XicConfig; } }
private void embedAllButton_Click (object sender, EventArgs e) { var searchPath = new StringBuilder(searchPathTextBox.Text); string extensions = extensionsTextBox.Text; Application.UseWaitCursor = true; deleteAllButton.Enabled = embedAllButton.Enabled = false; embeddedChanges = true; try { // add location of original idpDBs to the search path var mergedFilepaths = session.CreateSQLQuery("SELECT DISTINCT Filepath FROM MergedFiles").List<string>(); foreach (var filepath in mergedFilepaths) searchPath.AppendFormat(";{0}", System.IO.Path.GetDirectoryName(filepath)); } catch { // ignore if MergedFiles does not exist } var quantitationMethodBySource = new Dictionary<int, Embedder.QuantitationConfiguration>(); var xicConfigBySource = new Dictionary<int, Embedder.XICConfiguration>{{0, _defaultXicConfig}}; foreach (DataGridViewRow row in dataGridView.Rows) { int id = (int) row.Cells[idColumn.Index].Value; var method = QuantitationMethodForRow(row.Index); if (IsLabelFree(method)) { xicConfigBySource[id] = (Embedder.XICConfiguration) row.Cells[quantitationSettingsColumn.Index].Value; quantitationMethodBySource[id] = new Embedder.QuantitationConfiguration(QuantitationMethod.LabelFree, _defaultIsobaricConfig.ToString()); } else if (IsIsobaric(method)) quantitationMethodBySource[id] = (Embedder.QuantitationConfiguration) row.Cells[quantitationSettingsColumn.Index].Value; } okButton.Text = "Cancel"; EmbedInProgress = true; new Thread(() => { try { var ilr = new IterationListenerRegistry(); ilr.addListener(new EmbedderIterationListener(this), 1); var tempFolder = string.Empty; var splitSourceList = new List<List<string>>(); if (quantitationMethodBySource.Any(x => IsLabelFree(x.Value.QuantitationMethod)) && xicConfigBySource.Any(x => x.Value.AlignRetentionTime)) { tempFolder = getTempFolder(); splitSourceList = GetRTAlignGroups(); } string idpDbFilepath = session.Connection.GetDataSource(); if (embedScanTimeOnlyBox.Checked) Embedder.EmbedScanTime(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, ilr); else Embedder.Embed(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, ilr); if (quantitationMethodBySource.Any(x => IsLabelFree(x.Value.QuantitationMethod))) { BeginInvoke(new MethodInvoker(() => ModeandDefaultPanel.Visible = false)); if (xicConfigBySource.Any(x => x.Value.AlignRetentionTime)) { try { RTAlignPreparations(splitSourceList, tempFolder); foreach (var kvp in xicConfigBySource) kvp.Value.RTFolder = tempFolder; } catch (Exception rtError) { MessageBox.Show("Error: Cannot prepare RT alignment. Skipping to next stage." + Environment.NewLine + rtError.Message); foreach (var kvp in xicConfigBySource) kvp.Value.AlignRetentionTime = false; } } Embedder.EmbedMS1Metrics(idpDbFilepath, searchPath.ToString(), extensions, quantitationMethodBySource, xicConfigBySource, ilr); if (!string.IsNullOrEmpty(tempFolder) && Directory.Exists(tempFolder)) Directory.Delete(tempFolder,true); BeginInvoke(new MethodInvoker(() => ModeandDefaultPanel.Visible = true)); } } catch (Exception ex) { if (ex.Message.Contains("QuantitationConfiguration")) { string message = ex.Message.Replace("[QuantitationConfiguration] ", ""); message = Char.ToUpper(message[0]) + message.Substring(1); MessageBox.Show(message); } else if (ex.Message.Contains("no filepath")) { bool multipleMissingFilepaths = ex.Message.Contains("\n"); string missingFilepaths = ex.Message.Replace("\n", "\r\n"); missingFilepaths = missingFilepaths.Replace("[embed] no", "No"); missingFilepaths = missingFilepaths.Replace("[embedScanTime] no", "No"); MessageBox.Show(missingFilepaths + "\r\n\r\nCheck that " + (multipleMissingFilepaths ? "these source files" : "this source file") + " can be found in the search path with one of the specified extensions."); } else Program.HandleException(ex); } BeginInvoke(new MethodInvoker(() => Refresh())); }).Start(); }
public override void Refresh () { Text = "Embed Subset Spectra"; Application.UseWaitCursor = false; dataGridView.SuspendLayout(); dataGridView.Rows.Clear(); var rows = session.CreateSQLQuery( "SELECT ss.Id, Name, COUNT(s.Id), IFNULL((SELECT LENGTH(MsDataBytes) FROM SpectrumSourceMetadata WHERE Id=ss.Id), 0), MIN(IFNULL(s.ScanTimeInSeconds, 0)), QuantitationMethod, IFNULL(QuantitationSettings, '') " + "FROM SpectrumSource ss " + "JOIN UnfilteredSpectrum s ON ss.Id=Source " + "GROUP BY ss.Id") .List<object[]>() .Select(o => new { Id = Convert.ToInt32(o[0]), Name = (string) o[1], Spectra = Convert.ToInt32(o[2]), EmbeddedSize = Convert.ToInt32(o[3]), MinScanTime = Convert.ToDouble(o[4]), QuantitationMethodIndex = Convert.ToInt32(o[5]), QuantitationSettings = (string) o[6] }); hasEmbeddedSources = hasNonEmbeddedSources = false; _isobaricConfigBySource.Clear(); _xicConfigBySource.Clear(); foreach (var row in rows) { string status; if (row.EmbeddedSize > 0) { status = String.Format("{0} spectra embedded ({1} bytes)", row.Spectra, row.EmbeddedSize); hasEmbeddedSources = true; } else if (row.QuantitationMethodIndex != 0) { status = String.Format("{0} spectra with quantitation", row.Spectra); hasEmbeddedSources = true; hasNonEmbeddedSources = true; } else if (row.MinScanTime > 0) { status = String.Format("{0} spectra with scan times", row.Spectra); hasEmbeddedSources = true; hasNonEmbeddedSources = true; } else { status = "not embedded"; hasNonEmbeddedSources = true; } var quantitationMethod = (QuantitationMethod) row.QuantitationMethodIndex; if (IsLabelFree(quantitationMethod)) { var savedSettings = new Embedder.XICConfiguration(row.QuantitationSettings); _xicConfigBySource[row.Id] = savedSettings; dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], savedSettings); } else if (IsIsobaric(quantitationMethod)) { var savedSettings = new Embedder.QuantitationConfiguration(quantitationMethod, row.QuantitationSettings); _isobaricConfigBySource[row.Id] = savedSettings; dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], savedSettings); } else dataGridView.Rows.Add(row.Id, row.Name, status, quantitationMethodColumn.Items[row.QuantitationMethodIndex], "n/a"); } dataGridView.ResumeLayout(); if (dataGridView.Rows.Cast<DataGridViewRow>().Any(x => x.Cells[quantitationMethodColumn.Index].Value.ToString() != "None")) embedScanTimeOnlyBox.Text = "Embed scan times and quantitation only"; else embedScanTimeOnlyBox.Text = "Embed scan times only"; deleteAllButton.Enabled = hasEmbeddedSources; embedAllButton.Enabled = hasNonEmbeddedSources; okButton.Text = "Close"; okButton.Enabled = true; CancelRequested = false; EmbedInProgress = false; if (TaskbarManager.IsPlatformSupported) TaskbarManager.Instance.SetProgressState(TaskbarProgressBarState.NoProgress); base.Refresh(); }
private void StartButton_Click(object sender, EventArgs e) { var cloValue = (double)ChromatogramMzLowerOffsetValueBox.Value; var cloUnits = (MZTolerance.Units)ChromatogramMzLowerOffsetUnitsBox.SelectedIndex; var cuoValue = (double)ChromatogramMzUpperOffsetValueBox.Value; var cuoUnits = (MZTolerance.Units)ChromatogramMzUpperOffsetUnitsBox.SelectedIndex; var rtMax = (int)Math.Round(RTTolUpperBox.Value); var rtMin = (int)Math.Round(RTTolLowerBox.Value); var maMax = (int)Math.Round(MonoisotopicAdjustmentMaxBox.Value); var maMin = (int)Math.Round(MonoisotopicAdjustmentMinBox.Value); XicConfig = new Embedder.XICConfiguration{ ChromatogramMzLowerOffset = new MZTolerance(cloValue, cloUnits), ChromatogramMzUpperOffset = new MZTolerance(cuoValue, cuoUnits), RetentionTimeLowerTolerance = rtMin, RetentionTimeUpperTolerance = rtMax, MonoisotopicAdjustmentMax = maMax, MonoisotopicAdjustmentMin = maMin, MaxQValue = _maxQValue, AlignRetentionTime = RTAlignBox.Checked}; IsobaricConfig = new Embedder.QuantitationConfiguration { QuantitationMethod = IsobaricConfig.QuantitationMethod, ReporterIonMzTolerance = new MZTolerance((double) reporterIonToleranceUpDown.Value, (MZTolerance.Units) reporterIonToleranceUnits.SelectedIndex), NormalizeIntensities = normalizeReporterIonsCheckBox.Checked }; DialogResult = DialogResult.OK; }