OpenMS
IncludeExcludeTarget.h
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31 // $Maintainer: Hannes Roest $
32 // $Authors: Andreas Bertsch $
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34 
35 #pragma once
36 
40 
41 #include <vector>
42 
43 namespace OpenMS
44 {
52  class OPENMS_DLLAPI IncludeExcludeTarget :
53  public CVTermList
54  {
55 
56 public:
57 
60 
66 
69 
73 
76 
80  void setName(const String & name);
81 
82  const String & getName() const;
83 
84  void setPeptideRef(const String & peptide_ref);
85 
86  const String & getPeptideRef() const;
87 
88  void setCompoundRef(const String & compound_ref);
89 
90  const String & getCompoundRef() const;
91 
93  void setPrecursorMZ(double mz);
94 
95  double getPrecursorMZ() const;
96 
97  void setPrecursorCVTermList(const CVTermList & list);
98 
99  void addPrecursorCVTerm(const CVTerm & cv_term);
100 
102 
103  void setProductMZ(double mz);
104 
105  double getProductMZ() const;
106 
107  void setProductCVTermList(const CVTermList & list);
108 
109  void addProductCVTerm(const CVTerm & cv_term);
110 
112 
113  void setInterpretations(const std::vector<CVTermList> & interpretations);
114 
115  const std::vector<CVTermList> & getInterpretations() const;
116 
117  void addInterpretation(const CVTermList & interpretation);
118 
119  void setConfigurations(const std::vector<Configuration> & configuration);
120 
121  const std::vector<Configuration> & getConfigurations() const;
122 
123  void addConfiguration(const Configuration & configuration);
124 
125  void setPrediction(const CVTermList & prediction);
126 
127  void addPredictionTerm(const CVTerm & prediction);
128 
129  const CVTermList & getPrediction() const;
130 
132 
135 
140  bool operator==(const IncludeExcludeTarget & rhs) const;
141 
143  bool operator!=(const IncludeExcludeTarget & rhs) const;
145 
146 protected:
147 
149 
151 
153 
155 
156  double product_mz_;
157 
159 
160  std::vector<CVTermList> interpretation_list_;
161 
163 
165 
166  std::vector<Configuration> configurations_;
167 
169 
171 
172  };
173 }
174 
Representation of controlled vocabulary term list.
Definition: CVTermList.h:54
Representation of controlled vocabulary term.
Definition: CVTerm.h:53
This class stores a SRM/MRM transition.
Definition: IncludeExcludeTarget.h:54
const CVTermList & getProductCVTermList() const
CVTermList product_cv_terms_
Definition: IncludeExcludeTarget.h:158
std::vector< Configuration > configurations_
Definition: IncludeExcludeTarget.h:166
void setPeptideRef(const String &peptide_ref)
void addConfiguration(const Configuration &configuration)
const CVTermList & getPrecursorCVTermList() const
const RetentionTime & getRetentionTime() const
std::vector< CVTermList > interpretation_list_
Definition: IncludeExcludeTarget.h:160
IncludeExcludeTarget & operator=(const IncludeExcludeTarget &rhs)
assignment operator
IncludeExcludeTarget()
default constructor
String name_
Definition: IncludeExcludeTarget.h:150
const std::vector< CVTermList > & getInterpretations() const
bool operator!=(const IncludeExcludeTarget &rhs) const
inequality operator
String peptide_ref_
Definition: IncludeExcludeTarget.h:162
String compound_ref_
Definition: IncludeExcludeTarget.h:164
void addProductCVTerm(const CVTerm &cv_term)
void setCompoundRef(const String &compound_ref)
void setInterpretations(const std::vector< CVTermList > &interpretations)
RetentionTime rts_
Definition: IncludeExcludeTarget.h:170
TargetedExperimentHelper::Configuration Configuration
Definition: IncludeExcludeTarget.h:58
const CVTermList & getPrediction() const
bool operator==(const IncludeExcludeTarget &rhs) const
equality operator
void setPrecursorCVTermList(const CVTermList &list)
const String & getCompoundRef() const
void setName(const String &name)
~IncludeExcludeTarget() override
destructor
IncludeExcludeTarget(const IncludeExcludeTarget &rhs)
copy constructor
double precursor_mz_
Definition: IncludeExcludeTarget.h:152
void setProductCVTermList(const CVTermList &list)
const String & getPeptideRef() const
void setConfigurations(const std::vector< Configuration > &configuration)
void setPrediction(const CVTermList &prediction)
const String & getName() const
CVTermList precursor_cv_terms_
Definition: IncludeExcludeTarget.h:154
void addInterpretation(const CVTermList &interpretation)
void setRetentionTime(RetentionTime rt)
const std::vector< Configuration > & getConfigurations() const
void addPredictionTerm(const CVTerm &prediction)
void setProductMZ(double mz)
void addPrecursorCVTerm(const CVTerm &cv_term)
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: IncludeExcludeTarget.h:59
CVTermList prediction_
Definition: IncludeExcludeTarget.h:168
void setPrecursorMZ(double mz)
sets the precursor mz (Q1 value)
double product_mz_
Definition: IncludeExcludeTarget.h:156
A more convenient string class.
Definition: String.h:60
This class stores a retention time structure that is used in TargetedExperiment (representing a TraML...
Definition: TargetedExperimentHelper.h:126
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
Definition: TargetedExperimentHelper.h:66