public static int Search(List <IPeak> data, double target,
double tol, ToleranceBy by)
{
int start = 0;
int end = data.Count - 1;
while (start <= end)
{
int mid = end + (start - end) / 2;
int cmp = Compare(data[mid].GetMZ(), target, tol, by);
if (cmp == 0)
{
return(mid);
}
else if (cmp > 0)
{
end = mid - 1;
}
else
{
start = mid + 1;
}
}
return(-1);
}
public TIQ3XIC(ISpectrumReader spectrumReader,
double tol = 0.1, ToleranceBy by = ToleranceBy.Dalton)
{
this.spectrumReader = spectrumReader;
this.tol = tol;
this.by = by;
}
public static List <int> ExtendSearch(List <IPeak> data, double target,
double tol, ToleranceBy by)
{
List <int> indexes = new List <int>();
int index = Search(data, target, tol, by);
if (index < 0)
{
return(indexes);
}
int nextIndex = index;
while (nextIndex >= 0)
{
if (Compare(data[nextIndex].GetMZ(), target, tol, by) == 0)
{
indexes.Add(nextIndex);
}
else
{
break;
}
nextIndex--;
}
nextIndex = index + 1;
while (nextIndex < data.Count - 1)
{
if (Compare(data[nextIndex].GetMZ(), target, tol, by) == 0)
{
indexes.Add(nextIndex);
}
else
{
break;
}
nextIndex++;
}
return(indexes);
}
public static int BestSearch(List <IPeak> data, double target,
double tol, ToleranceBy by)
{
List <int> indexes = ExtendSearch(data, target, tol, by);
if (indexes.Count == 0)
{
return(-1);
}
double bestInt = 0;
int bestIndex = -1;
foreach (int index in indexes)
{
if (data[index].GetIntensity() > bestInt)
{
bestInt = data[index].GetIntensity();
bestIndex = index;
}
}
return(bestIndex);
}
private static int Compare(double curr, double target, double tol, ToleranceBy by)
{
if (by == ToleranceBy.PPM)
{
if (Math.Abs(curr - target) / target * 1000000.0 <= tol)
{
return(0);
}
}
else
{
if (Math.Abs(curr - target) <= tol)
{
return(0);
}
}
if (curr > target)
{
return(1);
}
return(-1);
}
public BucketSearch(ToleranceBy by, double tol)
{
tolerance_ = tol;
type_ = by;
}
public void SetToleranceBy(ToleranceBy by)
{
type_ = by;
}
public void SetToleranceBy(ToleranceBy by)
{
searcher.SetToleranceBy(by);
}
public EnvelopeProcess(double tol = 0.01, ToleranceBy by = ToleranceBy.Dalton)
{
searcher = new BucketSearch <IPeak>(by, tol);
}
public void SetToleranceBy(ToleranceBy by)
{
envelopeProcessor.SetToleranceBy(by);
}