START_SECTION( void simulateRun(FeatureMap& features,std::vector<PeptideIdentification>& pep_ids,std::vector<ProteinIdentification>& prot_ids,PrecursorIonSelectionPreprocessing& preprocessed_db, String path,MSExperiment<> & experiment, String precursor_path="")) ptr->reset(); features.clear(true); f_file.load(OPENMS_GET_TEST_DATA_PATH("PrecursorIonSelection_features.featureXML"),features); std::string tmp_filename; NEW_TMP_FILE(tmp_filename); MSExperiment<> exp; ptr->simulateRun(features,pep_ids,prot_ids,preprocessing,tmp_filename,exp); ptr->sortByTotalScore(features); TEST_EQUAL(features[20].getMetaValue("shifted"),"both") TEST_REAL_SIMILAR(features[20].getMetaValue("msms_score"),27574.40625) END_SECTION START_SECTION((const std::map<String,std::set<String> >& getPeptideProteinCounter())) TEST_EQUAL(ptr->getPeptideProteinCounter().size(),1) END_SECTION START_SECTION((void reset())) ptr->reset(); TEST_EQUAL(ptr->getPeptideProteinCounter().size(),0) END_SECTION START_SECTION(([PrecursorIonSelection::TotalScoreMore] bool operator()(Feature const &left, Feature const &right) const )) { Feature a,b; a.setMetaValue("msms_score",200.0); b.setMetaValue("msms_score",100.0); TEST_EQUAL(PrecursorIonSelection::TotalScoreMore().operator ()(a,b), true) TEST_EQUAL(PrecursorIonSelection::TotalScoreMore().operator ()(b,a), false)