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OpenMS
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99 void setName(const
String & name);
101 const
String & getName() const;
103 void setNativeID(const
String & name);
105 const
String & getNativeID() const;
107 void setPeptideRef(const
String & peptide_ref);
109 const
String & getPeptideRef() const;
111 void setCompoundRef(const
String & compound_ref);
113 const
String & getCompoundRef() const;
116 void setPrecursorMZ(
double mz);
119 double getPrecursorMZ() const;
122 bool hasPrecursorCVTerms() const;
124 void setPrecursorCVTermList(const
CVTermList & list);
126 void addPrecursorCVTerm(const
CVTerm & cv_term);
132 const
CVTermList & getPrecursorCVTermList() const;
134 void setProductMZ(
double mz);
136 double getProductMZ() const;
138 int getProductChargeState() const;
140 bool isProductChargeStateSet() const;
142 void addProductCVTerm(const
CVTerm & cv_term);
144 const std::vector<
Product> & getIntermediateProducts() const;
146 void addIntermediateProduct(
Product product);
148 void setIntermediateProducts(const std::vector<
Product> & products);
150 void setProduct(
Product product);
152 const
Product & getProduct() const;
155 bool hasPrediction() const;
157 void setPrediction(const Prediction & prediction);
159 void addPredictionTerm(const
CVTerm & prediction);
165 const Prediction & getPrediction() const;
168 DecoyTransitionType getDecoyTransitionType() const;
171 void setDecoyTransitionType(const DecoyTransitionType & d);
174 double getLibraryIntensity() const;
177 void setLibraryIntensity(
double intensity);
197 void setRetentionTime(RetentionTime rt);
206 const RetentionTime & getRetentionTime() const;
225 bool isDetectingTransition() const;
227 void setDetectingTransition(
bool val);
243 bool isIdentifyingTransition() const;
245 void setIdentifyingTransition(
bool val);
260 bool isQuantifyingTransition() const;
262 void setQuantifyingTransition(
bool val);
282 struct ProductMZLess :
296 void updateMembers_();
TargetedExperimentHelper::TraMLProduct Product
Definition: ReactionMonitoringTransition.h:64
double getProductMZ() const
double library_intensity_
Intensity of the product (q3) ion (stored in CV Term 1001226 inside the <Transition> tag)
Definition: ReactionMonitoringTransition.h:309
bool operator()(ReactionMonitoringTransition const &left, ReactionMonitoringTransition const &right) const
Definition: ReactionMonitoringTransition.h:286
A more convenient string class.
Definition: String.h:58
CVTermList * precursor_cv_terms_
(Other) CV Terms of the Precursor (Q1) of the transition or target
Definition: ReactionMonitoringTransition.h:330
std::bitset< 3 > transition_flags_
Definition: ReactionMonitoringTransition.h:346
std::vector< Product > intermediate_products_
Intermediate product ion information of the transition when using MS3 or above (optional)
Definition: ReactionMonitoringTransition.h:336
Product product_
Product (Q3) of the transition.
Definition: ReactionMonitoringTransition.h:333
String name_
id, required attribute
Definition: ReactionMonitoringTransition.h:302
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
DecoyTransitionType decoy_type_
specific properties of a transition (e.g. specific CV terms)
Definition: ReactionMonitoringTransition.h:312
This class stores a SRM/MRM transition.
Definition: ReactionMonitoringTransition.h:56
Definition: TargetedExperimentHelper.h:495
Represents a product ion.
Definition: TargetedExperimentHelper.h:588
String compound_ref_
Reference to a specific compound.
Definition: ReactionMonitoringTransition.h:306
Unknown type.
Definition: ReactionMonitoringTransition.h:69
Representation of controlled vocabulary term list.
Definition: CVTermList.h:52
TargetedExperimentHelper::Configuration Configuration
Definition: ReactionMonitoringTransition.h:62
double precursor_mz_
A transition has exactly one precursor and it must supply the CV Term 1000827 (isolation window targe...
Definition: ReactionMonitoringTransition.h:327
String peptide_ref_
Reference to a specific peptide.
Definition: ReactionMonitoringTransition.h:305
Representation of controlled vocabulary term.
Definition: CVTerm.h:52
Definition: TargetedExperimentHelper.h:64
RetentionTime rts
Information about predicted or calibrated retention time (optional)
Definition: ReactionMonitoringTransition.h:339
This class stores a retention time structure that is used in TargetedExperiment (representing a TraML...
Definition: TargetedExperimentHelper.h:127
Product meta information.
Definition: Product.h:48
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: ReactionMonitoringTransition.h:63
Target transition.
Definition: ReactionMonitoringTransition.h:70
Prediction * prediction_
Information about a prediction for a suitable transition using some software (optional)
Definition: ReactionMonitoringTransition.h:342
TargetedExperimentHelper::Prediction Prediction
Definition: ReactionMonitoringTransition.h:65
DecoyTransitionType
Definition: ReactionMonitoringTransition.h:67