35 #ifndef OPENMS_ANALYSIS_TARGETED_INCLUSIONEXCLUSIONLIST_H
36 #define OPENMS_ANALYSIS_TARGETED_INCLUSIONEXCLUSIONLIST_H
79 rt_bridge_(rt_bridge),
92 d_mz = d_mz / first.
MZ_ * 1e6;
94 if (d_mz > mz_max_) {
return 0; }
106 if ((fabs(first.
RTmin_ - second.
RTmax_) <= rt_bridge_) ||
137 void mergeOverlappingWindows_(
WindowList & list)
const;
149 void writeToFile_(
const String & out_path,
const WindowList & windows)
const;
172 void writeTargets(
const std::vector<FASTAFile::FASTAEntry> & fasta_entries,
175 const String rt_model_path);
192 void writeTargets(
const std::vector<PeptideIdentification> & pep_ids,
A more convenient string class.
Definition: String.h:56
IEWindow(const DoubleReal RTmin, const DoubleReal RTmax, const DoubleReal MZ)
Definition: InclusionExclusionList.h:56
Provides functionalty for writing inclusion or exclusion lists.
Definition: InclusionExclusionList.h:50
DoubleReal RTmax_
Definition: InclusionExclusionList.h:64
DoubleReal rt_bridge_
max rt distance between two windows in order to be considered overlapping
Definition: InclusionExclusionList.h:118
DoubleReal mz_max_
max m/z distance between two ...
Definition: InclusionExclusionList.h:119
DoubleReal RTmin_
Definition: InclusionExclusionList.h:63
double operator()(const IEWindow &first, const IEWindow &second) const
Definition: InclusionExclusionList.h:86
std::vector< IEWindow > WindowList
Definition: InclusionExclusionList.h:125
Determine distance between two spectra.
Definition: InclusionExclusionList.h:75
bool mz_as_ppm_
m/z distance unit
Definition: InclusionExclusionList.h:120
DoubleReal MZ_
Definition: InclusionExclusionList.h:65
WindowDistance_(const DoubleReal rt_bridge, const DoubleReal mz_max, const bool mz_as_ppm)
Definition: InclusionExclusionList.h:78
Definition: InclusionExclusionList.h:54
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:90
Int list.
Definition: IntList.h:56