protected override bool MsGraphControlOnMouseUpEvent(ZedGraphControl sender, MouseEventArgs e)
{
if (_peakResize != null)
{
var point = new PointF(e.X - _peakResize.MousePt.X + _peakResize.CoordPt.X, e.Y);
double x, y;
MsGraphControl.GraphPane.ReverseTransform(point, out x, out y);
var peaks = PeptideFileAnalysis.CalculatedPeaks;
double newStart, newEnd;
switch (_peakResize.LineSegment)
{
case LineSegment.Start:
newStart = x;
newEnd = _peakResize.Peak.EndTime;
break;
case LineSegment.End:
newStart = _peakResize.Peak.StartTime;
newEnd = x;
break;
default:
newStart = x;
newEnd = x - _peakResize.Peak.StartTime + _peakResize.Peak.EndTime;
break;
}
var newPeaks = peaks.ChangeTime(_peakResize.TracerFormula, Math.Min(newStart, newEnd), Math.Max(newStart, newEnd));
_peakResize = null;
PeptideFileAnalysis.SetCalculatedPeaks(newPeaks);
PeptideAnalysis.EnsurePeaksCalculated();
}
return(base.MsGraphControlOnMouseUpEvent(sender, e));
}
protected void SetAutoFindPeak(bool autoFindPeak)
{
if (autoFindPeak == PeptideFileAnalysis.AutoFindPeak)
{
return;
}
if (autoFindPeak)
{
PeptideFileAnalysis.SetAutoFindPeak();
}
else
{
PeptideAnalysis.EnsurePeaksCalculated();
var newPeaks = PeptideFileAnalysis.CalculatedPeaks.ChangeBasePeak(PeptideFileAnalysis.CalculatedPeaks.BasePeakKey);
Debug.Assert(!newPeaks.AutoFindPeak);
PeptideFileAnalysis.SetCalculatedPeaks(newPeaks);
}
}
protected void OnPeptideAnalysisChanged()
{
PeptideAnalysis.EnsurePeaksCalculated();
var res = Workspace.GetAminoAcidFormulas();
tbxFormula.Text = res.GetFormula(Peptide.Sequence).ToString();
tbxMonoMass.Text = Peptide.GetChargedPeptide(1).GetMonoisotopicMass(res).ToString("0.####");
tbxAvgMass.Text = Peptide.GetChargedPeptide(1).GetMassDistribution(res).AverageMass.ToString("0.####");
tbxMinCharge.Text = PeptideAnalysis.MinCharge.ToString(CultureInfo.CurrentCulture);
tbxMaxCharge.Text = PeptideAnalysis.MaxCharge.ToString(CultureInfo.CurrentCulture);
tbxProtein.Text = Peptide.ProteinName + " " + Peptide.ProteinDescription;
tbxMassAccuracy.Text = PeptideAnalysis.GetMassAccuracy().ToString(CultureInfo.CurrentCulture);
if (PeptideAnalysis.MassAccuracy == null)
{
tbxMassAccuracy.Font = Font;
}
else
{
tbxMassAccuracy.Font = new Font(Font, FontStyle.Bold);
}
if (_originalMinCharge.HasValue && _originalMinCharge != PeptideAnalysis.MinCharge)
{
tbxMinCharge.Font = new Font(Font, FontStyle.Bold);
}
else
{
tbxMinCharge.Font = Font;
}
if (_originalMaxCharge.HasValue && _originalMaxCharge != PeptideAnalysis.MaxCharge)
{
tbxMaxCharge.Font = new Font(Font, FontStyle.Bold);
}
else
{
tbxMaxCharge.Font = Font;
}
UpdateMassGrid();
UpdateRows(PeptideAnalysis.FileAnalyses);
}
public void Recalc()
{
zedGraphControl.GraphPane.CurveList.Clear();
zedGraphControl.GraphPane.GraphObjList.Clear();
PeptideAnalysis.EnsurePeaksCalculated();
IDictionary <TracerFormula, double> bestMatch;
var peaks = PeptideFileAnalysis.CalculatedPeaks;
var peaksDict = peaks.ToDictionary();
var peaksDictList = peaksDict.ToList();
double turnover;
double turnoverScore;
var precursorEnrichment = PeptideAnalysis.GetTurnoverCalculator().ComputePrecursorEnrichmentAndTurnover(peaksDict, out turnover, out turnoverScore, out bestMatch);
dataGridViewPrecursorPool.Rows.Clear();
if (precursorEnrichment == null)
{
tbxTurnover.Text = "";
tbxTurnoverScore.Text = "";
dataGridViewPrecursorPool.Rows.Clear();
}
else
{
tbxTurnover.Text = turnover.ToString("0.##%");
tbxTurnoverScore.Text = turnoverScore.ToString("0.####");
var tracerDefs = Workspace.GetTracerDefs();
if (dataGridViewPrecursorPool.Rows.Count != tracerDefs.Count)
{
dataGridViewPrecursorPool.Rows.Clear();
dataGridViewPrecursorPool.Rows.Add(tracerDefs.Count);
}
for (int i = 0; i < tracerDefs.Count; i++)
{
var tracerDef = tracerDefs[i];
var row = dataGridViewPrecursorPool.Rows[i];
row.Cells[colTracer.Index].Value = tracerDef.Name;
row.Cells[colPercent.Index].Value = precursorEnrichment.GetElementCount(tracerDef.Name);
}
}
var observedDistribution = new PointPairList();
var matchedDistribution = new PointPairList();
var labels = new List <string>();
for (int i = 0; i < peaksDictList.Count(); i++)
{
var tracerFormula = peaksDictList[i].Key;
labels.Add(tracerFormula.ToDisplayString());
observedDistribution.Add(i, peaksDictList[i].Value);
if (bestMatch == null)
{
matchedDistribution.Add(i, 1.0);
}
else
{
matchedDistribution.Add(i, bestMatch[tracerFormula]);
}
}
zedGraphControl.GraphPane.AddBar("Observed", observedDistribution, Color.Black);
zedGraphControl.GraphPane.AddBar("Predicted", matchedDistribution, Color.Blue);
zedGraphControl.GraphPane.XAxis.Type = AxisType.Text;
zedGraphControl.GraphPane.XAxis.Scale.TextLabels = labels.ToArray();
zedGraphControl.AxisChange();
}