35 #ifndef OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H 36 #define OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H 92 void setName(
const String & name);
94 const String & getName()
const;
96 void setNativeID(
const String & name);
98 const String & getNativeID()
const;
100 void setPeptideRef(
const String & peptide_ref);
102 const String & getPeptideRef()
const;
104 void setCompoundRef(
const String & compound_ref);
106 const String & getCompoundRef()
const;
109 void setPrecursorMZ(
double mz);
111 double getPrecursorMZ()
const;
113 void setPrecursorCVTermList(
const CVTermList & list);
115 void addPrecursorCVTerm(
const CVTerm & cv_term);
117 const CVTermList & getPrecursorCVTermList()
const;
119 void setProductMZ(
double mz);
121 double getProductMZ()
const;
125 void addProductCVTerm(
const CVTerm & cv_term);
129 const std::vector<Product> & getIntermediateProducts()
const;
131 void addIntermediateProduct(Product product);
133 void setIntermediateProducts(
const std::vector<Product> & products);
135 void setProduct(Product product);
137 const Product & getProduct()
const;
139 void setRetentionTime(RetentionTime rt);
141 const RetentionTime & getRetentionTime()
const;
143 void setPrediction(
const Prediction & prediction);
145 void addPredictionTerm(
const CVTerm & prediction);
147 const Prediction & getPrediction()
const;
153 double getLibraryIntensity()
const;
155 void setLibraryIntensity(
double intensity);
176 std::binary_function<ReactionMonitoringTransition, ReactionMonitoringTransition, bool>
188 void updateMembers_();
231 #endif // OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H DecoyTransitionType decoy_type_
specific properties of a transition (e.g. specific CV terms)
Definition: ReactionMonitoringTransition.h:225
RetentionTime rts
Definition: ReactionMonitoringTransition.h:219
A more convenient string class.
Definition: String.h:57
TargetedExperimentHelper::Prediction Prediction
Definition: ReactionMonitoringTransition.h:64
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
Definition: ReactionMonitoringTransition.h:69
DecoyTransitionType
Definition: ReactionMonitoringTransition.h:66
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
CVTermList precursor_cv_terms_
Definition: ReactionMonitoringTransition.h:213
bool operator()(ReactionMonitoringTransition const &left, ReactionMonitoringTransition const &right) const
Definition: ReactionMonitoringTransition.h:178
double precursor_mz_
Subelements:
Definition: ReactionMonitoringTransition.h:211
double getProductMZ() const
TargetedExperimentHelper::Configuration Configuration
Definition: ReactionMonitoringTransition.h:61
Definition: TargetedExperimentHelper.h:55
Comparator by Product ion MZ.
Definition: ReactionMonitoringTransition.h:175
Definition: TargetedExperimentHelper.h:447
Prediction prediction_
Definition: ReactionMonitoringTransition.h:221
String peptide_ref_
Definition: ReactionMonitoringTransition.h:196
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: ReactionMonitoringTransition.h:62
Representation of controlled vocabulary term.
Definition: CVTerm.h:51
String name_
Attributes:
Definition: ReactionMonitoringTransition.h:193
Product product_
Definition: ReactionMonitoringTransition.h:215
double library_intensity_
Definition: ReactionMonitoringTransition.h:227
String compound_ref_
Definition: ReactionMonitoringTransition.h:197
Definition: ReactionMonitoringTransition.h:68
Definition: TargetedExperimentHelper.h:133
Definition: TargetedExperimentHelper.h:416
std::vector< Product > intermediate_products_
Definition: ReactionMonitoringTransition.h:217
TargetedExperimentHelper::TraMLProduct Product
Definition: ReactionMonitoringTransition.h:63
This class stores a SRM/MRM transition.
Definition: ReactionMonitoringTransition.h:55