OpenMS  3.0.0
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 
71  ~IncludeExcludeTarget() override;
73 
75  IncludeExcludeTarget & operator=(const IncludeExcludeTarget & rhs);
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 
101  const CVTermList & getPrecursorCVTermList() const;
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 
111  const CVTermList & getProductCVTermList() const;
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 
131  void setRetentionTime(RetentionTime rt);
132 
133  const RetentionTime & getRetentionTime() const;
135 
139  bool operator==(const IncludeExcludeTarget & rhs) const;
141 
143  bool operator!=(const IncludeExcludeTarget & rhs) const;
145 
146 protected:
147 
148  void updateMembers_();
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 
OpenMS::IncludeExcludeTarget::product_mz_
double product_mz_
Definition: IncludeExcludeTarget.h:156
OpenMS::IncludeExcludeTarget::product_cv_terms_
CVTermList product_cv_terms_
Definition: IncludeExcludeTarget.h:158
OpenMS::IncludeExcludeTarget::peptide_ref_
String peptide_ref_
Definition: IncludeExcludeTarget.h:162
OpenMS::String
A more convenient string class.
Definition: String.h:58
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::IncludeExcludeTarget
This class stores a SRM/MRM transition.
Definition: IncludeExcludeTarget.h:52
OpenMS::IncludeExcludeTarget::configurations_
std::vector< Configuration > configurations_
Definition: IncludeExcludeTarget.h:166
OpenMS::IncludeExcludeTarget::interpretation_list_
std::vector< CVTermList > interpretation_list_
Definition: IncludeExcludeTarget.h:160
OpenMS::IncludeExcludeTarget::Configuration
TargetedExperimentHelper::Configuration Configuration
Definition: IncludeExcludeTarget.h:58
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::IncludeExcludeTarget::precursor_cv_terms_
CVTermList precursor_cv_terms_
Definition: IncludeExcludeTarget.h:154
OpenMS::IncludeExcludeTarget::precursor_mz_
double precursor_mz_
Definition: IncludeExcludeTarget.h:152
OpenMS::IncludeExcludeTarget::compound_ref_
String compound_ref_
Definition: IncludeExcludeTarget.h:164
OpenMS::CVTermList
Representation of controlled vocabulary term list.
Definition: CVTermList.h:52
CVTermList.h
OpenMS::Internal::operator==
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
OpenMS::CVTerm
Representation of controlled vocabulary term.
Definition: CVTerm.h:52
OpenMS::TargetedExperimentHelper::Configuration
Definition: TargetedExperimentHelper.h:64
OpenMS::TargetedExperimentHelper::RetentionTime
This class stores a retention time structure that is used in TargetedExperiment (representing a TraML...
Definition: TargetedExperimentHelper.h:124
OpenMS::IncludeExcludeTarget::prediction_
CVTermList prediction_
Definition: IncludeExcludeTarget.h:168
OpenMS::IncludeExcludeTarget::name_
String name_
Definition: IncludeExcludeTarget.h:150
TargetedExperimentHelper.h
OpenMS::IncludeExcludeTarget::RetentionTime
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: IncludeExcludeTarget.h:59
StandardTypes.h
OpenMS::IncludeExcludeTarget::rts_
RetentionTime rts_
Definition: IncludeExcludeTarget.h:170