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IncludeExcludeTarget.h
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34 
35 #ifndef OPENMS_ANALYSIS_TARGETED_INCLUDEEXCLUDETARGET_H
36 #define OPENMS_ANALYSIS_TARGETED_INCLUDEEXCLUDETARGET_H
37 
41 
42 #include <vector>
43 
44 namespace OpenMS
45 {
53  class OPENMS_DLLAPI IncludeExcludeTarget :
54  public CVTermList
55  {
56 
57 public:
58 
61 
67 
70 
72  virtual ~IncludeExcludeTarget();
74 
76  IncludeExcludeTarget & operator=(const IncludeExcludeTarget & rhs);
77 
81  void setName(const String & name);
82 
83  const String & getName() const;
84 
85  void setPeptideRef(const String & peptide_ref);
86 
87  const String & getPeptideRef() const;
88 
89  void setCompoundRef(const String & compound_ref);
90 
91  const String & getCompoundRef() const;
92 
94  void setPrecursorMZ(double mz);
95 
96  double getPrecursorMZ() const;
97 
98  void setPrecursorCVTermList(const CVTermList & list);
99 
100  void addPrecursorCVTerm(const CVTerm & cv_term);
101 
102  const CVTermList & getPrecursorCVTermList() const;
103 
104  void setProductMZ(double mz);
105 
106  double getProductMZ() const;
107 
108  void setProductCVTermList(const CVTermList & list);
109 
110  void addProductCVTerm(const CVTerm & cv_term);
111 
112  const CVTermList & getProductCVTermList() const;
113 
114  void setInterpretations(const std::vector<CVTermList> & interpretations);
115 
116  const std::vector<CVTermList> & getInterpretations() const;
117 
118  void addInterpretation(const CVTermList & interpretation);
119 
120  void setConfigurations(const std::vector<Configuration> & configuration);
121 
122  const std::vector<Configuration> & getConfigurations() const;
123 
124  void addConfiguration(const Configuration & configuration);
125 
126  void setPrediction(const CVTermList & prediction);
127 
128  void addPredictionTerm(const CVTerm & prediction);
129 
130  const CVTermList & getPrediction() const;
131 
132  void setRetentionTime(RetentionTime rt);
133 
134  const RetentionTime & getRetentionTime() const;
136 
140  bool operator==(const IncludeExcludeTarget & rhs) const;
142 
144  bool operator!=(const IncludeExcludeTarget & rhs) const;
146 
147 protected:
148 
149  void updateMembers_();
150 
152 
154 
156 
157  double product_mz_;
158 
160 
161  std::vector<CVTermList> interpretation_list_;
162 
164 
166 
167  std::vector<Configuration> configurations_;
168 
170 
171  RetentionTime rts_;
172 
173  };
174 }
175 
176 #endif // OPENMS_ANALYSIS_TARGETED_INCLUDEEXCLUDETARGET_H
std::vector< CVTermList > interpretation_list_
Definition: IncludeExcludeTarget.h:161
CVTermList product_cv_terms_
Definition: IncludeExcludeTarget.h:159
String compound_ref_
Definition: IncludeExcludeTarget.h:165
A more convenient string class.
Definition: String.h:57
Representation of controlled vocabulary term list.
Definition: CVTermList.h:53
String peptide_ref_
Definition: IncludeExcludeTarget.h:163
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
double precursor_mz_
Definition: IncludeExcludeTarget.h:153
TargetedExperimentHelper::RetentionTime RetentionTime
Definition: IncludeExcludeTarget.h:60
String name_
Definition: IncludeExcludeTarget.h:151
Definition: TargetedExperimentHelper.h:64
CVTermList precursor_cv_terms_
Definition: IncludeExcludeTarget.h:155
Representation of controlled vocabulary term.
Definition: CVTerm.h:51
TargetedExperimentHelper::Configuration Configuration
Definition: IncludeExcludeTarget.h:59
This class stores a SRM/MRM transition.
Definition: IncludeExcludeTarget.h:53
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
CVTermList prediction_
Definition: IncludeExcludeTarget.h:169
RetentionTime rts_
Definition: IncludeExcludeTarget.h:171
Definition: TargetedExperimentHelper.h:142
std::vector< Configuration > configurations_
Definition: IncludeExcludeTarget.h:167
double product_mz_
Definition: IncludeExcludeTarget.h:157

OpenMS / TOPP release 2.3.0 Documentation generated on Tue Jan 9 2018 18:22:01 using doxygen 1.8.13