const bool CMSPeak::ContainsFast(const int value,
const EMSPeakListTypes Which) const
{
int x(0), l, r;
CRef <CMSPeakList> PeakList = GetPeakLists()[Which];
l = 0;
r = PeakList->GetNum() - 1;
while(l <= r) {
x = (l + r)/2;
if (PeakList->GetMZI()[x].GetMZ() < value - tol)
l = x + 1;
else if (PeakList->GetMZI()[x].GetMZ() > value + tol)
r = x - 1;
else return true;
}
if (x < PeakList->GetNum() - 1 &&
PeakList->GetMZI()[x+1].GetMZ() < value + tol &&
PeakList->GetMZI()[x+1].GetMZ() > value - tol)
return true;
return false;
}
int CMSPeak::CompareSortedRank(CLadder& Ladder,
EMSPeakListTypes Which,
vector<bool>& usedPeaks)
{
int i(0), j(0);
int retval(0);
CRef <CMSPeakList> PeakList = SetPeakLists()[Which];
if (Ladder.size() == 0 || PeakList->GetNum() == 0) return 0;
Ladder.SetM() = 0;
Ladder.SetSum() = 0;
do {
if (PeakList->GetMZI()[j].GetMZ() < Ladder[i] - tol) {
j++;
if (j >= PeakList->GetNum()) break;
continue;
} else if (PeakList->GetMZI()[j].GetMZ() > Ladder[i] + tol) {
i++;
if (i >= Ladder.size()) break;
continue;
} else {
// avoid double count
if (!usedPeaks[j]) {
usedPeaks[j] = true;
Ladder.GetHit()[i] = Ladder.GetHit()[i] + 1;
// sum up the ranks
Ladder.SetSum() += PeakList->GetMZI()[j].GetRank();
Ladder.SetM()++;
}
retval++;
// record the intensity for scoring
Ladder.SetIntensity()[i] = PeakList->GetMZI()[j].GetIntensity();
Ladder.SetDelta()[i] = PeakList->GetMZI()[j].GetMZ() - Ladder[i];
j++;
if (j >= PeakList->GetNum()) break;
i++;
if (i >= Ladder.size()) break;
}
} while (true);
return retval;
}
const bool CMSPeak::CompareTop(CLadder& Ladder)
{
int i;
CRef <CMSPeakList> PeakList = SetPeakLists()[eMSPeakListTop];
for(i = 0; i < PeakList->GetNum(); i++) {
// cout << PeakList->GetMZI()[i].GetMZ() << " tol " << tol << endl;
if(Ladder.ContainsFast(PeakList->GetMZI()[i].GetMZ(), tol)) return true;
}
return false;
}