protected override bool DoCellValidating(int rowIndex, int columnIndex, string value)
{
string errorText = null;
if (columnIndex == COLUMN_SEQUENCE && GridView.IsCurrentCellInEditMode)
{
string sequence = value;
errorText = ValidateSequence(sequence);
}
else if (columnIndex == COLUMN_PRODUCT_ION && GridView.IsCurrentCellInEditMode)
{
string chargeText = value;
errorText = ValidateProductIon(chargeText);
}
else if (columnIndex == COLUMN_VALUE && GridView.IsCurrentCellInEditMode)
{
string optimizedText = value;
errorText = ValidateOptimizedValue(optimizedText);
}
if (errorText == null && GridView.IsCurrentCellInEditMode &&
(columnIndex == COLUMN_SEQUENCE || columnIndex == COLUMN_PRODUCT_ION))
{
var curRow = GridView.Rows[rowIndex].DataBoundItem as DbOptimization;
OptimizationKey curKey = curRow != null ? new OptimizationKey(curRow.Key) : new OptimizationKey();
switch (columnIndex)
{
case COLUMN_SEQUENCE:
{
var seqCharge = new SequenceAndCharge(value);
curKey.PeptideModSeq = seqCharge.ModifiedSequence;
curKey.PrecursorAdduct = seqCharge.Charge;
break;
}
case COLUMN_PRODUCT_ION:
{
var fragCharge = new FragmentAndCharge(value);
curKey.FragmentIon = fragCharge.FragmentIon;
curKey.ProductAdduct = fragCharge.Adduct;
break;
}
}
int iExist = Optimizations.ToArray().IndexOf(item => Equals(item.Key, curKey));
if (iExist != -1 && iExist != rowIndex)
{
errorText = string.Format(
Resources.LibraryGridViewDriver_DoCellValidating_There_is_already_an_optimization_with_sequence___0___and_product_ion___2___in_the_list_,
curKey.PeptideModSeq, Transition.GetChargeIndicator(curKey.PrecursorAdduct), curKey.FragmentIon, Transition.GetChargeIndicator(curKey.ProductAdduct));
}
}
if (errorText != null)
{
MessageDlg.Show(MessageParent, errorText);
return(false);
}
return(true);
}
protected override bool DoCellValidating(int rowIndex, int columnIndex, string value)
{
string errorText = null;
if (columnIndex == COLUMN_SEQUENCE && GridView.IsCurrentCellInEditMode)
{
string sequence = value;
errorText = ValidateSequence(sequence);
}
else if (columnIndex == COLUMN_PRODUCT_ION && GridView.IsCurrentCellInEditMode)
{
string chargeText = value;
errorText = ValidateProductIon(chargeText);
}
else if (columnIndex == COLUMN_VALUE && GridView.IsCurrentCellInEditMode)
{
string optimizedText = value;
errorText = ValidateOptimizedValue(optimizedText);
}
if (errorText == null && GridView.IsCurrentCellInEditMode &&
(columnIndex == COLUMN_SEQUENCE || columnIndex == COLUMN_PRODUCT_ION))
{
var curRow = GridView.Rows[rowIndex].DataBoundItem as DbOptimization;
OptimizationKey curKey = curRow != null ? new OptimizationKey(curRow.Key) : new OptimizationKey();
switch (columnIndex)
{
case COLUMN_SEQUENCE:
curKey.PeptideModSeq = Transition.StripChargeIndicators(value, TransitionGroup.MIN_PRECURSOR_CHARGE, TransitionGroup.MAX_PRECURSOR_CHARGE);
curKey.Charge = Transition.GetChargeFromIndicator(value, TransitionGroup.MIN_PRECURSOR_CHARGE, TransitionGroup.MAX_PRECURSOR_CHARGE).GetValueOrDefault(1);
break;
case COLUMN_PRODUCT_ION:
curKey.FragmentIon = Transition.StripChargeIndicators(value, Transition.MIN_PRODUCT_CHARGE, Transition.MAX_PRODUCT_CHARGE);
curKey.ProductCharge = Transition.GetChargeFromIndicator(value, Transition.MIN_PRODUCT_CHARGE, Transition.MAX_PRODUCT_CHARGE).GetValueOrDefault(1);
break;
}
int iExist = Optimizations.ToArray().IndexOf(item => Equals(item.Key, curKey));
if (iExist != -1 && iExist != rowIndex)
{
errorText = string.Format(
Resources.LibraryGridViewDriver_DoCellValidating_There_is_already_an_optimization_with_sequence___0___and_product_ion___2___in_the_list_,
curKey.PeptideModSeq, Transition.GetChargeIndicator(curKey.Charge), curKey.FragmentIon, Transition.GetChargeIndicator(curKey.ProductCharge));
}
}
if (errorText != null)
{
MessageDlg.Show(MessageParent, errorText);
return(false);
}
return(true);
}
public void AddResults()
{
var settings = _document.Settings;
if (!settings.HasResults)
{
MessageDlg.Show(MessageParent, Resources.LibraryGridViewDriver_AddResults_The_active_document_must_contain_results_in_order_to_add_optimized_values_);
return;
}
var newOptimizations = new HashSet <DbOptimization>();
foreach (PeptideGroupDocNode seq in _document.MoleculeGroups.Where(seq => seq.TransitionCount > 0 && !seq.IsDecoy))
{
foreach (PeptideDocNode peptide in seq.Children)
{
foreach (TransitionGroupDocNode nodeGroup in peptide.Children)
{
string sequence = _document.Settings.GetSourceTextId(peptide);
int charge = nodeGroup.TransitionGroup.PrecursorCharge;
foreach (TransitionDocNode nodeTran in nodeGroup.Children)
{
OptimizationKey key = null;
double? value = null;
if (Equals(ViewType, ExportOptimize.CE))
{
key = new OptimizationKey(ViewDbType, sequence, charge, nodeTran.GetFragmentIonName(CultureInfo.InvariantCulture), nodeTran.Transition.Charge);
value = OptimizationStep <CollisionEnergyRegression> .FindOptimizedValueFromResults(
settings, peptide, nodeGroup, nodeTran, OptimizedMethodType.Transition, GetCollisionEnergy);
}
else if (Equals(ViewType, ExportOptimize.COV))
{
key = new OptimizationKey(ViewDbType, sequence, charge, null, 0);
double?cov = OptimizationStep <CompensationVoltageRegressionFine> .FindOptimizedValueFromResults(_document.Settings,
peptide, nodeGroup, null, OptimizedMethodType.Precursor, SrmDocument.GetCompensationVoltageFine);
value = cov.HasValue ? cov.Value : 0;
}
if (value.HasValue && value > 0)
{
newOptimizations.Add(new DbOptimization(key, value.Value));
}
}
}
}
}
AddToLibrary(newOptimizations);
}
private void AddToLibrary(IEnumerable <DbOptimization> libraryOptimizationsNew)
{
if (libraryOptimizationsNew == null)
{
return;
}
var dictLibraryIndices = new Dictionary <OptimizationKey, int>();
for (int i = 0; i < Optimizations.Count; i++)
{
// Sometimes the last item can be empty with no sequence.
var key = Optimizations[i].Key;
if (key != null && !dictLibraryIndices.ContainsKey(key))
{
dictLibraryIndices.Add(key, i);
}
}
var listOptimizationsNew = libraryOptimizationsNew.ToList();
var listChangedOptimizations = new List <OptimizationKey>();
// Check for existing matching optimizations
for (int i = listOptimizationsNew.Count - 1; i >= 0; i--)
{
int optimizationIndex;
if (!dictLibraryIndices.TryGetValue(listOptimizationsNew[i].Key, out optimizationIndex))
{
continue;
}
if (Equals(listOptimizationsNew[i], Optimizations[optimizationIndex]))
{
listOptimizationsNew.RemoveAt(i);
continue;
}
listChangedOptimizations.Add(listOptimizationsNew[i].Key);
}
listChangedOptimizations.Sort();
// If there were any matches, get user feedback
AddOptimizationsAction action;
using (var dlg = new AddOptimizationsDlg(listOptimizationsNew.Count -
listChangedOptimizations.Count,
listChangedOptimizations))
{
if (dlg.ShowDialog(MessageParent) != DialogResult.OK)
{
return;
}
action = dlg.Action;
}
Optimizations.RaiseListChangedEvents = false;
try
{
// Add the new optimizations to the library list
foreach (var optimization in listOptimizationsNew)
{
OptimizationKey key = optimization.Key;
int optimizationIndex;
// Add any optimizations not yet in the library
if (!dictLibraryIndices.TryGetValue(key, out optimizationIndex))
{
optimization.Id = null;
Optimizations.Add(optimization);
continue;
}
var optimizationExist = Optimizations[optimizationIndex];
// Replace optimizations if the user said to
if (action == AddOptimizationsAction.replace)
{
optimizationExist.Value = optimization.Value;
}
// Skip optimizations if the user said to, or no change has occurred.
else if (action == AddOptimizationsAction.skip || Equals(optimization, optimizationExist))
{
}
// Average existing and new if that is what the user specified.
else if (action == AddOptimizationsAction.average)
{
optimizationExist.Value = (optimization.Value + optimizationExist.Value) / 2;
}
}
}
finally
{
Optimizations.RaiseListChangedEvents = true;
}
Optimizations.ResetBindings();
}
