35 #ifndef OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H
36 #define OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H
90 void setName(
const String & name);
92 const String & getName()
const;
94 void setNativeID(
const String & name);
96 const String & getNativeID()
const;
98 void setPeptideRef(
const String & peptide_ref);
100 const String & getPeptideRef()
const;
102 void setCompoundRef(
const String & compound_ref);
104 const String & getCompoundRef()
const;
111 void setPrecursorCVTermList(
const CVTermList & list);
113 void addPrecursorCVTerm(
const CVTerm & cv_term);
115 const CVTermList & getPrecursorCVTermList()
const;
123 void addProductCVTerm(
const CVTerm & cv_term);
127 const std::vector<Product> & getIntermediateProducts()
const;
129 void addIntermediateProduct(
Product product);
131 void setIntermediateProducts(
const std::vector<Product> & products);
133 void setProduct(
Product product);
135 const Product & getProduct()
const;
137 void setRetentionTime(RetentionTime rt);
139 const RetentionTime & getRetentionTime()
const;
141 void setPrediction(
const Prediction & prediction);
143 void addPredictionTerm(
const CVTerm & prediction);
145 const Prediction & getPrediction()
const;
147 DecoyTransitionType getDecoyTransitionType()
const;
149 void setDecoyTransitionType(
const DecoyTransitionType & d);
153 void setLibraryIntensity(
DoubleReal intensity);
172 struct ProductMZLess :
174 std::binary_function<ReactionMonitoringTransition, ReactionMonitoringTransition, bool>
186 void updateMembers_();
228 #endif // OPENMS_ANALYSIS_MRM_REACTIONMONITORINGTRANSITION_H
DecoyTransitionType decoy_type_
specific properties of a transition (e.g. specific CV terms)
Definition: ReactionMonitoringTransition.h:222
RetentionTime rts
Definition: ReactionMonitoringTransition.h:216
A more convenient string class.
Definition: String.h:56
TargetedExperimentHelper::Prediction Prediction
Definition: ReactionMonitoringTransition.h:62
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
Definition: ReactionMonitoringTransition.h:67
Product meta information.
Definition: Product.h:49
DoubleReal precursor_mz_
Subelements:
Definition: ReactionMonitoringTransition.h:209
DecoyTransitionType
Definition: ReactionMonitoringTransition.h:64
DoubleReal library_intensity_
Definition: ReactionMonitoringTransition.h:224
CVTermList precursor_cv_terms_
Definition: ReactionMonitoringTransition.h:210
bool operator()(ReactionMonitoringTransition const &left, ReactionMonitoringTransition const &right) const
Definition: ReactionMonitoringTransition.h:176
TargetedExperimentHelper::Configuration Configuration
Definition: ReactionMonitoringTransition.h:59
Definition: TargetedExperimentHelper.h:55
Definition: TargetedExperimentHelper.h:461
Prediction prediction_
Definition: ReactionMonitoringTransition.h:218
String peptide_ref_
Definition: ReactionMonitoringTransition.h:194
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: ReactionMonitoringTransition.h:60
Representation of controlled vocabulary term.
Definition: CVTerm.h:51
String name_
Attributes:
Definition: ReactionMonitoringTransition.h:191
Product product_
Definition: ReactionMonitoringTransition.h:212
String compound_ref_
Definition: ReactionMonitoringTransition.h:195
Definition: ReactionMonitoringTransition.h:66
Definition: TargetedExperimentHelper.h:133
Definition: TargetedExperimentHelper.h:430
DoubleReal getProductMZ() const
std::vector< Product > intermediate_products_
Definition: ReactionMonitoringTransition.h:214
TargetedExperimentHelper::TraMLProduct Product
Definition: ReactionMonitoringTransition.h:61
This class stores a SRM/MRM transition.
Definition: ReactionMonitoringTransition.h:53