35 #ifndef OPENMS_ANALYSIS_TARGETED_OFFLINEPRECURSORIONSELECTION_H 36 #define OPENMS_ANALYSIS_TARGETED_OFFLINEPRECURSORIONSELECTION_H 48 class PeptideIdentification;
49 class ProteinIdentification;
80 void makePrecursorSelectionForKnownLCMSMap(
const FeatureMap& features,
83 std::set<Int>& charges_set,
95 std::vector<std::vector<std::pair<Size, Size> > >& indices);
102 std::cout <<
" LPSolver set to " << solver_ << std::endl;
117 void calculateXICs_(
const FeatureMap& features,
118 const std::vector<std::vector<std::pair<Size, Size> > >& mass_ranges,
120 const std::set<Int>& charges_set,
121 std::vector<std::vector<std::pair<Size, double> > >& xics);
126 void checkMassRanges_(std::vector<std::vector<std::pair<Size, Size> > >& mass_ranges,
130 void updateExclusionList_(ExclusionListType_& exclusion_list)
const;
137 #endif // OPENMS_ANALYSIS_ID_OFFLINEPRECURSORIONSELECTION_H
A more convenient string class.
Definition: String.h:57
SOLVER
Definition: LPWrapper.h:129
A container for features.
Definition: FeatureMap.h:94
LPWrapper::SOLVER getLPSolver()
Definition: OfflinePrecursorIonSelection.h:105
std::map< std::pair< double, double >, int, PairComparatorSecondElement< std::pair< double, double > > > ExclusionListType_
Definition: OfflinePrecursorIonSelection.h:112
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
LPWrapper::SOLVER solver_
Definition: OfflinePrecursorIonSelection.h:132
void setLPSolver(LPWrapper::SOLVER solver)
Definition: OfflinePrecursorIonSelection.h:99
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:82
Implements different algorithms for precursor ion selection.
Definition: OfflinePrecursorIonSelection.h:62
Class for comparison of std::pair using second ONLY e.g. for use with std::sort.
Definition: ComparatorUtils.h:340
A base class for all classes handling default parameters.
Definition: DefaultParamHandler.h:92
PSLPFormulation::IndexTriple IndexTriple
Definition: OfflinePrecursorIonSelection.h:66