35 #ifndef OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_DATAACCESS_TRANSITIONEXPERIMENT_H
36 #define OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_DATAACCESS_TRANSITIONEXPERIMENT_H
41 #include <boost/shared_ptr.hpp>
65 return transition_name;
75 return library_intensity;
80 library_intensity = l;
153 if (peptide_reference_map_dirty_)
155 createPeptideReferenceMap_();
157 return *(peptide_reference_map_[ref]);
164 for (
size_t i = 0; i < getPeptides().size(); i++)
166 peptide_reference_map_[getPeptides()[i].id] = &getPeptides()[i];
168 peptide_reference_map_dirty_ =
false;
179 #endif // OPENMS_ANALYSIS_OPENSWATH_OPENSWATHALGO_DATAACCESS_TRANSITIONEXPERIMENT_H
std::string getPeptideRef() const
Definition: TransitionExperiment.h:68
std::vector< LightProtein > & getProteins()
Definition: TransitionExperiment.h:146
double product_mz
Definition: TransitionExperiment.h:53
std::string id
Definition: TransitionExperiment.h:121
double library_intensity
Definition: TransitionExperiment.h:52
std::vector< LightTransition > transitions
Definition: TransitionExperiment.h:133
int getChargeState() const
Definition: TransitionExperiment.h:111
std::string peptide_group_label
Definition: TransitionExperiment.h:108
std::vector< LightProtein > proteins
Definition: TransitionExperiment.h:135
int getProductChargeState() const
Definition: TransitionExperiment.h:58
std::string getNativeID() const
Definition: TransitionExperiment.h:63
int charge
Definition: TransitionExperiment.h:104
double precursor_mz
Definition: TransitionExperiment.h:54
std::map< std::string, LightPeptide * > peptide_reference_map_
Definition: TransitionExperiment.h:172
double getPrecursorMZ() const
Definition: TransitionExperiment.h:88
bool decoy
Definition: TransitionExperiment.h:56
std::vector< LightPeptide > peptides
Definition: TransitionExperiment.h:134
void setLibraryIntensity(double l)
Definition: TransitionExperiment.h:78
void createPeptideReferenceMap_()
Definition: TransitionExperiment.h:162
Definition: TransitionExperiment.h:101
bool peptide_reference_map_dirty_
Definition: TransitionExperiment.h:171
std::string sequence
Definition: TransitionExperiment.h:122
double getProductMZ() const
Definition: TransitionExperiment.h:83
int location
Definition: TransitionExperiment.h:97
std::vector< LightTransition > & getTransitions()
Definition: TransitionExperiment.h:136
LightTransition Transition
Definition: TransitionExperiment.h:129
std::string transition_name
Definition: TransitionExperiment.h:50
std::vector< std::string > protein_refs
Definition: TransitionExperiment.h:106
LightPeptide Peptide
Definition: TransitionExperiment.h:130
std::string id
Definition: TransitionExperiment.h:109
std::string peptide_ref
Definition: TransitionExperiment.h:51
LightTargetedExperiment()
Definition: TransitionExperiment.h:127
std::string unimod_id
Definition: TransitionExperiment.h:98
Definition: TransitionExperiment.h:47
std::vector< LightPeptide > & getPeptides()
Definition: TransitionExperiment.h:141
int charge
Definition: TransitionExperiment.h:55
#define OPENSWATHALGO_DLLAPI
Definition: OpenSwathAlgoConfig.h:15
double rt
Definition: TransitionExperiment.h:103
Definition: TransitionExperiment.h:119
double getLibraryIntensity() const
Definition: TransitionExperiment.h:73
Definition: TransitionExperiment.h:125
std::string sequence
Definition: TransitionExperiment.h:105
std::vector< LightModification > modifications
Definition: TransitionExperiment.h:116
const LightPeptide & getPeptideByRef(const std::string &ref)
Definition: TransitionExperiment.h:151
LightProtein Protein
Definition: TransitionExperiment.h:131
Definition: TransitionExperiment.h:95