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ModificationDefinitionsSet.h
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35 
36 #ifndef OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
37 #define OPENMS_CHEMISTRY_MODIFICATIONDEFINITIONSSET_H
38 
39 #include <OpenMS/CONCEPT/Types.h>
45 
46 #include <set>
47 
48 namespace OpenMS
49 {
58  class OPENMS_DLLAPI ModificationDefinitionsSet
59  {
60 public:
61 
67 
70 
72  ModificationDefinitionsSet(const StringList & fixed_modifications, const StringList & variable_modifications);
73 
75  virtual ~ModificationDefinitionsSet();
77 
81  void setMaxModifications(Size max_mod);
83 
85  Size getMaxModifications() const;
86 
88  Size getNumberOfModifications() const;
89 
91  Size getNumberOfFixedModifications() const;
92 
94  Size getNumberOfVariableModifications() const;
95 
97  void addModification(const ModificationDefinition & mod_def);
98 
100  void setModifications(const std::set<ModificationDefinition> & mod_defs);
101 
108  void setModifications(const String & fixed_modifications, const String & variable_modifications);
109 
111  void setModifications(const StringList & fixed_modifications, const StringList & variable_modifications);
112 
114  std::set<ModificationDefinition> getModifications() const;
115 
117  const std::set<ModificationDefinition> & getFixedModifications() const;
118 
120  const std::set<ModificationDefinition> & getVariableModifications() const;
121 
123  std::set<String> getModificationNames() const;
124 
126  std::set<String> getFixedModificationNames() const;
127 
129  std::set<String> getVariableModificationNames() const;
131 
135  ModificationDefinitionsSet & operator=(const ModificationDefinitionsSet & element);
138 
142  bool isCompatible(const AASequence & peptide) const;
144 
146  bool operator==(const ModificationDefinitionsSet & rhs) const;
147 
149  bool operator!=(const ModificationDefinitionsSet & rhs) const;
151 
152 
153 protected:
154 
155  std::set<ModificationDefinition> variable_mods_;
156 
157  std::set<ModificationDefinition> fixed_mods_;
158 
160  };
161 
162 
163 } // namespace OpenMS
164 
165 #endif
std::set< ModificationDefinition > fixed_mods_
Definition: ModificationDefinitionsSet.h:157
A more convenient string class.
Definition: String.h:57
Representation of a peptide/protein sequence.
Definition: AASequence.h:70
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
Representation of a set of modification definitions.
Definition: ModificationDefinitionsSet.h:58
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:74
Representation of modification definition.
Definition: ModificationDefinition.h:53
std::set< ModificationDefinition > variable_mods_
Definition: ModificationDefinitionsSet.h:155
Size max_mods_per_peptide_
Definition: ModificationDefinitionsSet.h:159

OpenMS / TOPP release 2.0.0 Documentation generated on Tue Nov 1 2016 16:34:46 using doxygen 1.8.11