private KeyValuePair <TracerFormula, IFoundPeak> FindBestPeak(IEnumerable <CalculatedPeaks> otherPeaks)
{
TracerChromatograms tracerChromatograms = GetTracerChromatograms();
double bestScore = 0;
var bestPeak = new KeyValuePair <TracerFormula, IFoundPeak>();
double bestDistance = double.MaxValue;
double firstDetectedTime, lastDetectedTime;
GetFirstLastTimes(otherPeaks, out firstDetectedTime, out lastDetectedTime);
foreach (var entry in tracerChromatograms.ListPeaks())
{
if (entry.Value.TimeIndex <= entry.Value.StartIndex || entry.Value.TimeIndex >= entry.Value.EndIndex)
{
continue;
}
double distance;
if (firstDetectedTime > lastDetectedTime)
{
distance = 1;
}
else
{
double startTime = tracerChromatograms.ChromatogramSet.Times[entry.Value.StartIndex];
double endTime = tracerChromatograms.ChromatogramSet.Times[entry.Value.EndIndex];
if (startTime > lastDetectedTime)
{
distance = startTime - lastDetectedTime;
}
else if (endTime < firstDetectedTime)
{
distance = firstDetectedTime - endTime;
}
else
{
distance = 0;
}
}
double score = tracerChromatograms.GetScore(entry.Value.StartIndex, entry.Value.EndIndex);
if (distance < bestDistance || distance == bestDistance && score > bestScore)
{
bestPeak = entry;
bestScore = score;
bestDistance = distance;
if (distance == 0)
{
break;
}
}
}
if (bestDistance > 0)
{
IntegrationNote = IntegrationNote.PeakNotFoundAtMs2Id;
}
else
{
IntegrationNote = IntegrationNote.Success;
}
return(bestPeak);
}
private TracerChromatograms GetTracerChromatograms()
{
if (_tracerChromatograms == null)
{
_tracerChromatograms = PeptideFileAnalysis.GetTracerChromatograms(_smoothChromatograms);
}
return(_tracerChromatograms);
}
public TracerChromatograms GetTracerChromatograms(bool smoothed)
{
var result = smoothed ? _tracerChromatogramsSmoothed : _tracerChromatograms;
if (result == null)
{
result = new TracerChromatograms(this, ChromatogramSet, smoothed);
if (smoothed)
{
_tracerChromatogramsSmoothed = result;
}
else
{
_tracerChromatograms = result;
}
}
return(result);
}
private TracerChromatograms GetTracerChromatograms()
{
if (_tracerChromatograms == null)
{
_tracerChromatograms = PeptideFileAnalysis.GetTracerChromatograms(_smoothChromatograms);
}
return _tracerChromatograms;
}
public void InvalidatePeaks()
{
_tracerChromatograms = null;
_tracerChromatogramsSmoothed = null;
}
