public void TestPrefixAndSuffixMatches()
{
string[] peptides =
{
"LATQSNEITIPVTFESRAqLGGPEAAK",
"LATqSNEITIPVTFESRAQLGGPEAAK",
"LATQSnEITIPVTFESRAQLGGPEAAK",
"LATQSnEITIPVTFESRAQLGGPEAAKSDETAAK",
"LATQSNEITIPVTFESRAQLGGPEAAK",
"LATQSNEITIPVTFESRAQLGGPEAAKSDETAAK",
"LATQSNEITIPVTFESRAqLGGPEAAKSDETAAK",
};
var uniquePrefixGenerator = new UniquePrefixGenerator(peptides.Select(
sequence => new Tuple<string, bool>(sequence, true)), 3);
Dictionary<string, string> peptideAbbreviations = new Dictionary<string, string>();
foreach (string peptide in peptides)
{
string abbreviation = uniquePrefixGenerator.GetUniquePrefix(peptide, true);
Assert.IsTrue(abbreviation.Length <= peptide.Length);
peptideAbbreviations.Add(peptide, abbreviation);
}
CollectionAssert.AllItemsAreUnique(peptideAbbreviations.Values);
}
private void UpdateGraph()
{
if (!IsHandleCreated)
{
return;
}
zedGraphControl.GraphPane.GraphObjList.Clear();
zedGraphControl.GraphPane.CurveList.Clear();
_barGraph = null;
_rows = null;
var points = new PointPairList();
var groupComparisonModel = FoldChangeBindingSource.GroupComparisonModel;
var groupComparisonDef = groupComparisonModel.GroupComparisonDef;
var document = groupComparisonModel.Document;
var sequences = new List<Tuple<string, bool>>();
foreach (var nodePep in document.Molecules)
sequences.Add(new Tuple<string, bool>(nodePep.RawTextId, nodePep.IsProteomic));
var uniquePrefixGenerator = new UniquePrefixGenerator(sequences, 3);
var textLabels = new List<string>();
var rows = _bindingListSource.OfType<RowItem>()
.Select(rowItem => rowItem.Value)
.OfType<FoldChangeBindingSource.FoldChangeRow>()
.ToArray();
bool showLabelType = rows.Select(row => row.IsotopeLabelType).Distinct().Count() > 1;
bool showMsLevel = rows.Select(row => row.MsLevel).Distinct().Count() > 1;
bool showGroup = rows.Select(row => row.Group).Distinct().Count() > 1;
foreach (var row in rows)
{
var foldChangeResult = row.FoldChangeResult;
double error = Math.Log(foldChangeResult.MaxFoldChange/foldChangeResult.FoldChange, 2.0);
var point = MeanErrorBarItem.MakePointPair(points.Count, foldChangeResult.Log2FoldChange, error);
points.Add(point);
string label;
if (null != row.Peptide)
{
label = uniquePrefixGenerator.GetUniquePrefix(row.Peptide.GetDocNode().RawTextId, row.Peptide.GetDocNode().IsProteomic);
}
else
{
label = row.Protein.Name;
}
if (showMsLevel && row.MsLevel.HasValue)
{
label += " MS" + row.MsLevel; // Not L10N;
}
if (showLabelType && row.IsotopeLabelType != null)
{
label += " (" + row.IsotopeLabelType.Title + ")"; // Not L10N
}
if (showGroup && !Equals(row.Group, default(GroupIdentifier)))
{
label += " " + row.Group; // Not L10N
}
textLabels.Add(label);
if (IsSelected(row))
{
double y, height;
if (foldChangeResult.Log2FoldChange >= 0)
{
y = foldChangeResult.Log2FoldChange + error;
height = y;
}
else
{
y = 0;
height = error - foldChangeResult.Log2FoldChange;
}
zedGraphControl.GraphPane.GraphObjList.Add(new BoxObj(point.X + .5, y, .99, height)
{
ZOrder = ZOrder.E_BehindCurves,
IsClippedToChartRect = true
});
}
}
zedGraphControl.GraphPane.XAxis.Title.Text = groupComparisonDef.PerProtein ? GroupComparisonStrings.FoldChangeBarGraph_UpdateGraph_Protein : GroupComparisonStrings.FoldChangeBarGraph_UpdateGraph_Peptide;
zedGraphControl.GraphPane.YAxis.Title.Text = GroupComparisonStrings.FoldChangeBarGraph_UpdateGraph_Log_2_Fold_Change;
var barGraph = new MeanErrorBarItem(null, points, Color.Black, Color.Blue);
zedGraphControl.GraphPane.CurveList.Add(barGraph);
zedGraphControl.GraphPane.XAxis.Type = AxisType.Text;
zedGraphControl.GraphPane.XAxis.Scale.TextLabels = textLabels.ToArray();
_axisLabelScaler.ScaleAxisLabels();
zedGraphControl.GraphPane.AxisChange();
zedGraphControl.Invalidate();
_barGraph = barGraph;
_rows = rows;
}
// ReSharper disable PossibleMultipleEnumeration
protected GraphData(SrmDocument document, TransitionGroupDocNode selectedGroup, PeptideGroupDocNode selectedProtein,
int?iResult, DisplayTypeChrom displayType, GraphValues.IRetentionTimeTransformOp retentionTimeTransformOp,
PaneKey paneKey)
{
RetentionTimeTransformOp = retentionTimeTransformOp;
// Determine the shortest possible unique ID for each peptide or molecule
var sequences = new List <Tuple <string, bool> >();
foreach (var nodePep in document.Molecules)
{
sequences.Add(new Tuple <string, bool>(nodePep.ModifiedTarget.DisplayName, nodePep.IsProteomic));
}
var uniquePrefixGenerator = new UniquePrefixGenerator(sequences, 3);
int pointListCount = 0;
var dictTypeToSet = new Dictionary <IsotopeLabelType, int>();
bool onePointPerPeptide = PeptideOrder == SummaryPeptideOrder.document &&
null != paneKey.IsotopeLabelType;
// Figure out how many point lists to create
bool displayTotals = (displayType == DisplayTypeChrom.total);
if (displayTotals)
{
foreach (var nodeGroup in document.MoleculeTransitionGroups)
{
if (!paneKey.IncludesTransitionGroup(nodeGroup))
{
continue;
}
IsotopeLabelType labelType = nodeGroup.TransitionGroup.LabelType;
if (!dictTypeToSet.ContainsKey(labelType))
{
dictTypeToSet.Add(labelType, pointListCount++);
}
}
}
else
{
foreach (var nodeGroup in document.MoleculeTransitionGroups)
{
if (!paneKey.IncludesTransitionGroup(nodeGroup))
{
continue;
}
pointListCount = Math.Max(pointListCount, GraphChromatogram.GetDisplayTransitions(nodeGroup, displayType).Count());
}
}
// Build the list of points to show.
var listPoints = new List <GraphPointData>();
foreach (PeptideGroupDocNode nodeGroupPep in document.MoleculeGroups)
{
if (AreaGraphController.AreaScope == AreaScope.protein)
{
if (!ReferenceEquals(nodeGroupPep, selectedProtein))
{
continue;
}
}
foreach (PeptideDocNode nodePep in nodeGroupPep.Children)
{
bool addBlankPoint = onePointPerPeptide &&
!nodePep.TransitionGroups.Any(paneKey.IncludesTransitionGroup);
foreach (TransitionGroupDocNode nodeGroup in nodePep.Children)
{
var path = new IdentityPath(nodeGroupPep.PeptideGroup,
nodePep.Peptide, nodeGroup.TransitionGroup);
var graphPointData = new GraphPointData(nodePep, nodeGroup, path);
if (addBlankPoint || paneKey.IncludesTransitionGroup(nodeGroup))
{
listPoints.Add(graphPointData);
}
if (addBlankPoint)
{
break;
}
}
}
}
// Sort into correct order
var peptideOrder = PeptideOrder;
if (peptideOrder == SummaryPeptideOrder.time)
{
if (displayTotals)
{
listPoints.Sort(ComparePeptideTimes);
}
else
{
listPoints.Sort(CompareGroupTimes);
}
}
else if (peptideOrder == SummaryPeptideOrder.area)
{
listPoints.Sort(CompareGroupAreas);
}
else if (peptideOrder == SummaryPeptideOrder.mass_error)
{
listPoints.Sort(CompareGroupMassErrors);
}
// Init calculated values
var pointPairLists = new List <PointPairList>();
var labels = new List <string>();
var xscalePaths = new List <IdentityPath>();
double maxY = 0;
double minY = double.MaxValue;
int selectedIndex = -1;
for (int i = 0; i < pointListCount; i++)
{
pointPairLists.Add(new PointPairList());
}
// Calculate lists and values
PeptideDocNode nodePepCurrent = null;
int chargeCount = 0;
var chargeCurrent = Adduct.EMPTY;
foreach (var dataPoint in listPoints)
{
var nodePep = dataPoint.NodePep;
var nodeGroup = dataPoint.NodeGroup;
if (!ReferenceEquals(nodePep, nodePepCurrent))
{
nodePepCurrent = nodePep;
chargeCount = GetChargeCount(nodePep);
chargeCurrent = Adduct.EMPTY;
}
bool addLabel = !displayTotals;
if (displayTotals && !Equals(nodeGroup.TransitionGroup.PrecursorAdduct, chargeCurrent))
{
LevelPointPairLists(pointPairLists);
addLabel = true;
}
chargeCurrent = nodeGroup.TransitionGroup.PrecursorAdduct;
var transitionGroup = nodeGroup.TransitionGroup;
int iGroup = labels.Count;
if (addLabel)
{
string label = uniquePrefixGenerator.GetUniquePrefix(nodePep.ModifiedTarget.DisplayName, nodePep.IsProteomic) +
(chargeCount > 1
? Transition.GetChargeIndicator(transitionGroup.PrecursorAdduct)
: string.Empty);
if (!displayTotals && null == paneKey.IsotopeLabelType)
{
label += transitionGroup.LabelTypeText;
}
if (peptideOrder == SummaryPeptideOrder.time)
{
label += string.Format(@" ({0:F01})", displayTotals ?
dataPoint.TimePepCharge : dataPoint.TimeGroup);
}
labels.Add(label);
xscalePaths.Add(dataPoint.IdentityPath);
}
double groupMaxY = 0;
double groupMinY = double.MaxValue;
// ReSharper disable DoNotCallOverridableMethodsInConstructor
int?resultIndex = iResult.HasValue && iResult >= 0 ? iResult : null;
if (RTLinearRegressionGraphPane.ShowReplicate == ReplicateDisplay.best && nodePep != null)
{
resultIndex = null;
int iBest = nodePep.BestResult;
if (iBest != -1)
{
resultIndex = iBest;
}
}
if (displayTotals)
{
var labelType = nodeGroup.TransitionGroup.LabelType;
if (dictTypeToSet.ContainsKey(labelType))
{
if (paneKey.IncludesTransitionGroup(nodeGroup))
{
pointPairLists[dictTypeToSet[labelType]].Add(CreatePointPair(iGroup, nodeGroup,
ref groupMaxY, ref groupMinY,
resultIndex));
}
else
{
pointPairLists[dictTypeToSet[labelType]].Add(PointPairMissing(iGroup));
}
}
}
else
{
if (paneKey.IncludesTransitionGroup(nodeGroup))
{
var nodeTrans = GraphChromatogram.GetDisplayTransitions(nodeGroup, displayType).ToArray();
for (int i = 0; i < pointListCount; i++)
{
var pointPairList = pointPairLists[i];
pointPairList.Add(i >= nodeTrans.Length
? CreatePointPairMissing(iGroup)
: CreatePointPair(iGroup, nodeTrans[i], ref groupMaxY,
ref groupMinY,
resultIndex));
}
}
else
{
for (int i = 0; i < pointListCount; i++)
{
pointPairLists[i].Add(CreatePointPairMissing(iGroup));
}
}
}
// ReSharper restore DoNotCallOverridableMethodsInConstructor
// Save the selected index and its y extent
if (ReferenceEquals(selectedGroup, nodeGroup))
{
selectedIndex = labels.Count - 1;
SelectedMaxY = groupMaxY;
SelectedMinY = groupMinY;
}
// If multiple groups in the selection, make sure y extent is max of them
else if (selectedIndex == labels.Count - 1)
{
SelectedMaxY = Math.Max(groupMaxY, SelectedMaxY);
SelectedMinY = Math.Min(groupMinY, SelectedMinY);
}
maxY = Math.Max(maxY, groupMaxY);
minY = Math.Min(minY, groupMinY);
}
PointPairLists = pointPairLists;
Labels = labels.ToArray();
XScalePaths = xscalePaths.ToArray();
SelectedIndex = selectedIndex;
MaxY = maxY;
if (minY != double.MaxValue)
{
MinY = minY;
}
}
public void TestUniquePrefix()
{
var testSequences = new[,]
{
// Original name on left, expected result on right.
{null, null},
{"", ""},
{"A", "A"},
{"A", "A"}, // duplicate name (on purpose)
{"AB", "AB"},
{"ABC", "ABC"},
{"ABCD", "ABCD"},
{"ABCDE", "ABCDE"},
{"ABCDEF", "ABCDEF"},
{"ABCDEFG", "ABCDEFG"},
{"ABCDEFG", "ABCDEFG"}, // duplicate name (on purpose)
{"ABCDEFGH", "ABC…FGH"},
{"ABCDEFGHI", "ABC…GHI"},
{"ABCE", "ABCE"},
{"ABDEFGHI", "ABD…"},
{"ABEFGHI", "ABEFGHI"},
{"ABEFGHIJ", "ABE…HIJ"},
{"ABEFHI", "ABEFHI"},
{"ABFFFGHI", "ABF(5)"},
{"ABFFFFGHI", "ABF(6)"},
{"ABFFFFAFGHI", "ABF…FA…"},
{"ABFFFAFFGHI", "ABF…A…"},
{"ABGAABAABAGHI", "ABG…B…B…"},
{"ABGAAbAABAGHI", "ABG…b…B…"},
{"ABGAABAAbAGHI", "ABG…B…b…"},
{"ABGAAB[80]AAB[99]AGHI", "ABG…b…b…"}
};
var testCustomIons = new[,]
{
// Original name on left, expected result on right.
{"C32:0", "C32:0"},
{"C32:1", "C32:1"},
{"C32:2", "C32:2"},
{"C32:2", "C32:2"}, // Duplicated on purpose
{"C30:0", "C30:0"},
{"C[30]:0", "C[30]:0"},
{"C[400]:0", "C[4…"},
{"C12:0 fish breath", "C12…"},
{"C15:0 fish breath", "C15(14)"},
{"C15:0 doggy breath", "C15(15)"},
{"C16:0 fishy breath", "C16…f…"},
{"C16:0 doggy breath", "C16…d…"},
{"C14", "C14"},
{"C14:1", "C14:1"},
{"C14:1-OH", "C14:1…"},
{"C14:2", "C14:2"},
{"C14:2-OH", "C14:2…"}
};
for (var loop = 2; loop > 0; loop--)
{
var strings = new List<Tuple<string, bool>>();
var commontext = (loop == 1) ? String.Empty : "Delta Niner Foxtrot "; // non-peptides should strip leading common text
for (int i = 0; i < testSequences.GetLength(0); i++)
{
strings.Add(new Tuple<string, bool>(testSequences[i, 0], true));
}
for (int i = 0; i < testCustomIons.GetLength(0); i++)
{
strings.Add(new Tuple<string, bool>(commontext + testCustomIons[i, 0], false));
}
var prefixGenerator = new UniquePrefixGenerator(strings, 3);
for (int i = 0; i < testSequences.GetLength(0); i++)
{
var expected = testSequences[i, 1];
var uniquePrefix = prefixGenerator.GetUniquePrefix(testSequences[i, 0], true);
Assert.AreEqual(expected, uniquePrefix);
}
for (int i = 0; i < testCustomIons.GetLength(0); i++)
{
var expected = testCustomIons[i, 1];
var uniquePrefix = prefixGenerator.GetUniquePrefix(commontext + testCustomIons[i, 0], false);
Assert.AreEqual(expected, uniquePrefix);
}
}
}
/// <summary>
/// Display summed transitions for multiple selected peptides.
/// </summary>
private void DisplayPeptides(IRegressionFunction timeRegressionFunction,
ChromatogramSet chromatograms,
float mzMatchTolerance,
int countLabelTypes,
IList<PeptideDocNode> peptideDocNodes,
ref double bestStartTime,
ref double bestEndTime,
out double leftPeakWidth,
out double rightPeakWidth)
{
leftPeakWidth = 0;
rightPeakWidth = 0;
// Construct and add graph items for all relevant transition groups.
float fontSize = FontSize;
int lineWidth = LineWidth;
var chromGroupInfos = ChromGroupInfos;
var lookupChromGroupInfoIndex = new Dictionary<int, int>(_nodeGroups.Length);
for (int i = 0; i < _nodeGroups.Length; i++)
lookupChromGroupInfoIndex[_nodeGroups[i].Id.GlobalIndex] = i;
// Generate a unique short identifier for each peptide.
var peptideNames = new Tuple<string,bool>[peptideDocNodes.Count];
for (int i = 0; i < peptideDocNodes.Count; i++)
peptideNames[i] = new Tuple<string,bool>(peptideDocNodes[i].RawTextId, peptideDocNodes[i].IsProteomic);
var uniqueNames = new UniquePrefixGenerator(peptideNames, 3);
var displayPeptides = new List<DisplayPeptide>();
for (int peptideIndex = 0; peptideIndex < peptideDocNodes.Count; peptideIndex++)
{
var peptideDocNode = peptideDocNodes[peptideIndex];
TransitionChromInfo bestPeakInfo = null;
ChromatogramInfo sumInfo = null;
float maxPeakHeight = float.MinValue;
foreach (var precursor in peptideDocNode.TransitionGroups)
{
int indexInfo;
if (!lookupChromGroupInfoIndex.TryGetValue(precursor.Id.GlobalIndex, out indexInfo))
continue;
var chromGroupInfo = chromGroupInfos[indexInfo];
if (chromGroupInfo == null)
continue;
ChromFileInfoId fileId = chromatograms.FindFile(chromGroupInfo);
foreach (var nodeTran in precursor.Transitions)
{
var info = chromGroupInfo.GetTransitionInfo((float)nodeTran.Mz, mzMatchTolerance);
if (info == null)
continue;
if (sumInfo == null)
sumInfo = info;
else
{
float[] sumTimes;
float[] sumIntensities;
if (!AddTransitions.Add(
info.Times, info.Intensities, sumInfo.Times, sumInfo.Intensities,
out sumTimes, out sumIntensities))
continue;
sumInfo = new ChromatogramInfo(sumTimes, sumIntensities);
}
// Keep track of which chromatogram owns the tallest member of
// the peak on the document tree.
var transitionChromInfo = GetTransitionChromInfo(nodeTran, _chromIndex, fileId, 0);
if (transitionChromInfo == null)
continue;
if (transitionChromInfo.Height > maxPeakHeight)
{
maxPeakHeight = transitionChromInfo.Height;
bestPeakInfo = transitionChromInfo;
}
}
}
if (sumInfo != null && bestPeakInfo != null)
{
displayPeptides.Add(new DisplayPeptide
{
PeptideIndex = peptideIndex,
SumInfo = sumInfo,
BestPeakInfo = bestPeakInfo
});
}
}
// Order the peptides by height of best peak.
displayPeptides = displayPeptides.OrderByDescending(e => e.BestPeakInfo.Height).ToList();
// Display only the top peptides.
int lastPeptideIndex = Math.Min(MaxPeptidesDisplayed, displayPeptides.Count);
var graphItems = new List<ChromGraphItem>();
for (int i = lastPeptideIndex-1; i >= 0; i--) // smallest peaks first for good z-ordering in graph
{
var bestPeakInfo = displayPeptides[i].BestPeakInfo;
var sumInfo = displayPeptides[i].SumInfo;
var peptideDocNode = peptideDocNodes[displayPeptides[i].PeptideIndex];
// Intersect best peak with summed transition.
if (bestPeakInfo != null && sumInfo.Times.Length > 0)
{
float startRetentionTime = Math.Max(bestPeakInfo.StartRetentionTime, sumInfo.Times[0]);
float endRetentionTime = Math.Min(bestPeakInfo.EndRetentionTime, sumInfo.Times[sumInfo.Times.Length - 1]);
if (endRetentionTime > startRetentionTime)
{
if (bestStartTime > startRetentionTime)
{
bestStartTime = startRetentionTime;
leftPeakWidth = endRetentionTime - startRetentionTime;
}
if (bestEndTime < endRetentionTime)
{
bestEndTime = endRetentionTime;
rightPeakWidth = endRetentionTime - startRetentionTime;
}
bestPeakInfo = new TransitionChromInfo(startRetentionTime, endRetentionTime);
}
}
// Get peptide graph color from SequenceTree.
var peptideGraphInfo = _stateProvider.GetPeptideGraphInfo(peptideDocNode);
Color color = peptideGraphInfo.Color;
sumInfo.Transform(Transform);
bool[] annotateAll = new bool[sumInfo.NumPeaks];
ChromGraphItem graphItem = new ChromGraphItem(null,
null,
sumInfo,
bestPeakInfo,
timeRegressionFunction,
annotateAll,
null,
0,
false,
false,
0,
color,
fontSize,
lineWidth)
{
CurveAnnotation = uniqueNames.GetUniquePrefix(peptideDocNode.RawTextId, peptideDocNode.IsProteomic),
IdPath = _groupPaths[displayPeptides[i].PeptideIndex],
GraphInfo = peptideGraphInfo
};
if (peptideGraphInfo.IsSelected)
graphItems.Insert(0, graphItem);
else
graphItems.Add(graphItem);
}
foreach (var graphItem in graphItems)
{
var curveItem = _graphHelper.AddChromatogram(new PaneKey(), graphItem);
// Make the fill color under the curve more opaque if the curve is selected.
var fillAlpha = graphItem.GraphInfo.IsSelected ? 60 : 15;
((LineItem)curveItem).Line.Fill = new Fill(Color.FromArgb(fillAlpha, graphItem.GraphInfo.Color));
}
}
protected GraphData(SrmDocument document, TransitionGroupDocNode selectedGroup, PeptideGroupDocNode selectedProtein,
int? iResult, DisplayTypeChrom displayType, GraphValues.IRetentionTimeTransformOp retentionTimeTransformOp,
PaneKey paneKey)
{
RetentionTimeTransformOp = retentionTimeTransformOp;
// Determine the shortest possible unique ID for each peptide or molecule
var sequences = new List<Tuple<string, bool>>();
foreach (var nodePep in document.Molecules)
sequences.Add(new Tuple<string, bool>(nodePep.RawTextId, nodePep.IsProteomic));
var uniquePrefixGenerator = new UniquePrefixGenerator(sequences, 3);
int pointListCount = 0;
var dictTypeToSet = new Dictionary<IsotopeLabelType, int>();
bool onePointPerPeptide = PeptideOrder == SummaryPeptideOrder.document &&
null != paneKey.IsotopeLabelType;
// Figure out how many point lists to create
bool displayTotals = (displayType == DisplayTypeChrom.total);
if (displayTotals)
{
foreach (var nodeGroup in document.MoleculeTransitionGroups)
{
if (!paneKey.IncludesTransitionGroup(nodeGroup))
{
continue;
}
IsotopeLabelType labelType = nodeGroup.TransitionGroup.LabelType;
if (!dictTypeToSet.ContainsKey(labelType))
dictTypeToSet.Add(labelType, pointListCount++);
}
}
else
{
foreach (var nodeGroup in document.MoleculeTransitionGroups)
{
if (!paneKey.IncludesTransitionGroup(nodeGroup))
{
continue;
}
pointListCount = Math.Max(pointListCount, GraphChromatogram.GetDisplayTransitions(nodeGroup, displayType).Count());
}
}
// Build the list of points to show.
var listPoints = new List<GraphPointData>();
foreach (PeptideGroupDocNode nodeGroupPep in document.MoleculeGroups)
{
if (AreaGraphController.AreaScope == AreaScope.protein)
{
if (!ReferenceEquals(nodeGroupPep, selectedProtein))
continue;
}
foreach (PeptideDocNode nodePep in nodeGroupPep.Children)
{
bool addBlankPoint = onePointPerPeptide &&
!nodePep.TransitionGroups.Any(paneKey.IncludesTransitionGroup);
foreach (TransitionGroupDocNode nodeGroup in nodePep.Children)
{
var path = new IdentityPath(nodeGroupPep.PeptideGroup,
nodePep.Peptide, nodeGroup.TransitionGroup);
var graphPointData = new GraphPointData(nodePep, nodeGroup, path);
if (addBlankPoint || paneKey.IncludesTransitionGroup(nodeGroup))
{
listPoints.Add(graphPointData);
}
if (addBlankPoint)
{
break;
}
}
}
}
// Sort into correct order
var peptideOrder = PeptideOrder;
if (peptideOrder == SummaryPeptideOrder.time)
{
if (displayTotals)
listPoints.Sort(ComparePeptideTimes);
else
listPoints.Sort(CompareGroupTimes);
}
else if (peptideOrder == SummaryPeptideOrder.area)
{
listPoints.Sort(CompareGroupAreas);
}
// Init calculated values
var pointPairLists = new List<PointPairList>();
var labels = new List<string>();
var xscalePaths = new List<IdentityPath>();
double maxY = 0;
double minY = double.MaxValue;
int selectedIndex = -1;
for (int i = 0; i < pointListCount; i++)
pointPairLists.Add(new PointPairList());
// Calculate lists and values
PeptideDocNode nodePepCurrent = null;
int chargeCount = 0, chargeCurrent = 0;
foreach (var dataPoint in listPoints)
{
var nodePep = dataPoint.NodePep;
var nodeGroup = dataPoint.NodeGroup;
if (!ReferenceEquals(nodePep, nodePepCurrent))
{
nodePepCurrent = nodePep;
chargeCount = GetChargeCount(nodePep);
chargeCurrent = 0;
}
bool addLabel = !displayTotals;
if (displayTotals && nodeGroup.TransitionGroup.PrecursorCharge != chargeCurrent)
{
LevelPointPairLists(pointPairLists);
addLabel = true;
}
chargeCurrent = nodeGroup.TransitionGroup.PrecursorCharge;
var transitionGroup = nodeGroup.TransitionGroup;
int iGroup = labels.Count;
if (addLabel)
{
string label = uniquePrefixGenerator.GetUniquePrefix(nodePep.RawTextId, nodePep.IsProteomic) +
(chargeCount > 1
? Transition.GetChargeIndicator(transitionGroup.PrecursorCharge)
: string.Empty);
if (!displayTotals && null == paneKey.IsotopeLabelType)
label += transitionGroup.LabelTypeText;
if (peptideOrder == SummaryPeptideOrder.time)
{
label += string.Format(" ({0:F01})", displayTotals ? // Not L10N
dataPoint.TimePepCharge : dataPoint.TimeGroup);
}
labels.Add(label);
xscalePaths.Add(dataPoint.IdentityPath);
}
double groupMaxY = 0;
double groupMinY = double.MaxValue;
// ReSharper disable DoNotCallOverridableMethodsInConstructor
int? resultIndex = iResult.HasValue && iResult >= 0 ? iResult : null;
if (RTLinearRegressionGraphPane.ShowReplicate == ReplicateDisplay.best && nodePep != null)
{
resultIndex = null;
int iBest = nodePep.BestResult;
if (iBest !=-1)
resultIndex = iBest;
}
if (displayTotals)
{
var labelType = nodeGroup.TransitionGroup.LabelType;
if (dictTypeToSet.ContainsKey(labelType))
{
if (paneKey.IncludesTransitionGroup(nodeGroup))
{
pointPairLists[dictTypeToSet[labelType]].Add(CreatePointPair(iGroup, nodeGroup,
ref groupMaxY, ref groupMinY,
resultIndex));
}
else
{
pointPairLists[dictTypeToSet[labelType]].Add(PointPairMissing(iGroup));
}
}
}
else
{
if (paneKey.IncludesTransitionGroup(nodeGroup))
{
var nodeTrans = GraphChromatogram.GetDisplayTransitions(nodeGroup, displayType).ToArray();
for (int i = 0; i < pointListCount; i++)
{
var pointPairList = pointPairLists[i];
pointPairList.Add(i >= nodeTrans.Length
? CreatePointPairMissing(iGroup)
: CreatePointPair(iGroup, nodeTrans[i], ref groupMaxY,
ref groupMinY,
resultIndex));
}
}
else
{
for (int i = 0; i < pointListCount; i++)
{
pointPairLists[i].Add(CreatePointPairMissing(iGroup));
}
}
}
// ReSharper restore DoNotCallOverridableMethodsInConstructor
// Save the selected index and its y extent
if (ReferenceEquals(selectedGroup, nodeGroup))
{
selectedIndex = labels.Count - 1;
SelectedMaxY = groupMaxY;
SelectedMinY = groupMinY;
}
// If multiple groups in the selection, make sure y extent is max of them
else if (selectedIndex == labels.Count - 1)
{
SelectedMaxY = Math.Max(groupMaxY, SelectedMaxY);
SelectedMinY = Math.Min(groupMinY, SelectedMinY);
}
maxY = Math.Max(maxY, groupMaxY);
minY = Math.Min(minY, groupMinY);
}
PointPairLists = pointPairLists;
Labels = labels.ToArray();
XScalePaths = xscalePaths.ToArray();
SelectedIndex = selectedIndex;
MaxY = maxY;
if (minY != double.MaxValue)
MinY = minY;
}