31 #include "../exception/exceptionoutofrange.h"
39 qDebug() <<
"Xic::Xic begin";
40 qDebug() <<
"Xic::Xic end";
55 return std::make_shared<const Xic>(*
this);
61 return std::make_shared<Xic>(*
this);
67 for(
auto &&peak : *
this)
69 qDebug() <<
"rt = " << peak.x <<
", int = " << peak.y;
76 for(
auto &&peak : *
this)
82 QObject::tr(
"no intensity for this retention time"));
88 if(rt_first > rt_second)
90 std::swap(rt_first, rt_second);
92 unsigned int distance = 0;
93 auto it = this->begin();
94 auto itend = this->end();
96 while((it->x < rt_first) && (it != itend))
100 while((rt_second > it->x) && (it != itend))
102 qDebug() <<
"Xic::getMsPointDistance " << rt_first <<
" it->rt " << it->x
103 <<
" rt_second " << rt_second << distance;
A simple container of DataPoint instances.
const DataPoint & atRetentionTime(pappso_double rt) const
get the DataPoint at the given retention time
void sortByRetentionTime()
sort peaks by retention time
XicCstSPtr makeXicCstSPtr() const
void debugPrintValues() const
unsigned int getMsPointDistance(pappso_double rt, pappso_double rt_other) const
get the number of MS measurement between 2 retention times on this xic
XicSPtr makeXicSPtr() const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::shared_ptr< const Xic > XicCstSPtr
double pappso_double
A type definition for doubles.
std::shared_ptr< Xic > XicSPtr