MRMFeatureSelectorQMIP Class Reference

#include <OpenMS/ANALYSIS/OPENSWATH/MRMFeatureSelector.h>

Inheritance diagram for MRMFeatureSelectorQMIP:
Collaboration diagram for MRMFeatureSelectorQMIP:

Public Member Functions

void optimize (const std::vector< std::pair< double, String >> &time_to_name, const std::map< String, std::vector< Feature >> &feature_name_map, std::vector< String > &result, const SelectorParameters &parameters) const override
- Public Member Functions inherited from MRMFeatureSelector
 MRMFeatureSelector ()=default
virtual ~MRMFeatureSelector ()=default
void selectMRMFeature (const FeatureMap &features, FeatureMap &selected_filtered, const SelectorParameters &parameters) const

Additional Inherited Members

- Public Types inherited from MRMFeatureSelector
enum class  VariableType { INTEGER = 1 , CONTINUOUS }
enum class  LambdaScore {
- Protected Member Functions inherited from MRMFeatureSelector
Int addVariable_ (LPWrapper &problem, const String &name, const bool bounded, const double obj, const VariableType variableType) const
double computeScore_ (const Feature &feature, const std::map< String, LambdaScore > &score_weights) const
void addConstraint_ (LPWrapper &problem, const std::vector< Int > &indices, const std::vector< double > &values, const String &name, const double lb, const double ub, const LPWrapper::Type param) const

Detailed Description

Class used to select MRMFeatures based on relative retention time using a quadratic mixed integer programming (QMIP) formulation. The method is described in [TODO: update when published]

Member Function Documentation

◆ optimize()

void optimize ( const std::vector< std::pair< double, String >> &  time_to_name,
const std::map< String, std::vector< Feature >> &  feature_name_map,
std::vector< String > &  result,
const SelectorParameters parameters 
) const

Set up the linear programming problem and solve it.

[in]time_to_namePairs representing a mapping of retention times to transition names
[in]feature_name_mapTransitions' names to their features objects
[out]resultTransitions' names filtered out of the LP problem

Implements MRMFeatureSelector.