int main() {
LinkedList list;
list.insertHead(45);
list.insertHead(23);
list.print();
list.insertTail(456);
list.insertTail(234);
list.insertTail(34);
list.print();
cout << list.remove(456) << endl;
list.print();
list.removeHead();
list.removeTail();
list.print();
cout << endl;
DoubleList dlist;
dlist.push_back(45);
dlist.push_back(3456);
dlist.push_front(12);
dlist.push_front(2);
cout << dlist.front() << ' ' << dlist.back() << endl;
dlist.print();
dlist.pop_back();
dlist.pop_front();
dlist.print();
return 0;
}
void IDMapper::getIDDetails_(const PeptideIdentification & id, DoubleReal & rt_pep, DoubleList & mz_values, IntList & charges, bool use_avg_mass) const
{
mz_values.clear();
charges.clear();
rt_pep = id.getMetaValue("RT");
// collect m/z values of pepId
if (param_.getValue("mz_reference") == "precursor") // use precursor m/z of pepId
{
mz_values.push_back(id.getMetaValue("MZ"));
}
for (vector<PeptideHit>::const_iterator hit_it = id.getHits().begin();
hit_it != id.getHits().end(); ++hit_it)
{
Int charge = hit_it->getCharge();
charges.push_back(charge);
if (param_.getValue("mz_reference") == "peptide") // use mass of each pepHit (assuming H+ adducts)
{
DoubleReal mass = use_avg_mass ?
hit_it->getSequence().getAverageWeight(Residue::Full, charge) :
hit_it->getSequence().getMonoWeight(Residue::Full, charge);
mz_values.push_back( mass / (DoubleReal) charge);
}
}
}
void ProteinResolver::computeIntensityOfMSD_(vector<MSDGroup> & msd_groups)
{
// iteriert ueber alles msd gruppe
for (vector<MSDGroup>::iterator group = msd_groups.begin(); group != msd_groups.end(); ++group)
{
DoubleList intensities;
// iterierere ueber peptide entry (peptide identification), intensitaet (summe der einzelintensitaeten)
for (list<PeptideEntry *>::iterator pep = group->peptides.begin(); pep != group->peptides.end(); ++pep)
{
intensities.push_back((*pep)->intensity);
}
// median von der list ist itensity der msd group
group->intensity = Math::median(intensities.begin(), intensities.end());
}
}
bool Pattern::Match(const DoubleTimeList::const_iterator& current, const DoubleTimeList::const_iterator& end) const
{
DoubleTimeList points;
size_t positionCount = Size();
auto cit = current;
size_t i = 0;
while(i < positionCount && cit != end)
{
points.push_back(DoubleTimePoint((*cit).value, i++));
cit++;
}
if (i < positionCount)
{
// points not enough for matching
return false;
}
// sort the points by value
struct PointCompare {
bool operator() (DoubleTimePoint p1,DoubleTimePoint p2) { return p1.value < p2.value; }
} compareObj;
std::sort(points.begin(), points.end(), compareObj);
// check each groups
auto gcit = groups_.begin();
auto pcit = points.begin();
double max_in_last_group = -DBL_MAX;
while(gcit != groups_.end() && pcit != points.end())
{
PointsGroup group = *gcit;
DoubleList values;
// check fixed delta
double delta = std::fabs(((*pcit).value - max_in_last_group) / ((*pcit).value + max_in_last_group));
if (delta < fixed_delta_)
return false;
// make sure points in the group
size_t i = 0;
size_t group_size = group.Size();
while (i < group_size && pcit != points.end())
{
if (!group.In((int)(*pcit).position))
return false;
values.push_back((*pcit).value);
pcit++;
i++;
}
// check adjacent for AdjacentGroup
if (group.IsAdjacentGroup())
{
if (!group.CheckAdjacence(&values))
return false;
}
max_in_last_group = values[values.size() - 1];
gcit++;
}
return true;
}