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