| OpenMS 2.5.0

Public Member Functions | List of all members
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

override virtual

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.