MRMFeatureSelectorQMIP Class Reference

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

Inheritance 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	VariableType { INTEGER = 1, CONTINUOUS }
enum	LambdaScore {   LINEAR = 1, INVERSE, LOG, INVERSE_LOG,   INVERSE_LOG10 }
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, std::vector< Int > indices, 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

overridevirtual

Set up the linear programming problem and solve it.

Parameters

[in]	time_to_name	Pairs representing a mapping of retention times to transition names
[in]	feature_name_map	Transitions' names to their features objects
[out]	result	Transitions' names filtered out of the LP problem
[in]	parameters	Parameters

Implements MRMFeatureSelector.