Beispiel #1
0
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;
}
Beispiel #2
0
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;
}
Beispiel #3
0
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;
}