OpenMS  3.0.0
Modification.h
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32 // $Authors: Marc Sturm $
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34 
35 #pragma once
36 
38 
40 
41 namespace OpenMS
42 {
51  class OPENMS_DLLAPI Modification :
52  public SampleTreatment
53  {
54 public:
57  {
58  AA
59  , AA_AT_CTERM
60  , AA_AT_NTERM
61  , CTERM
62  , NTERM
63  , SIZE_OF_SPECIFICITYTYPE
64  };
66  static const std::string NamesOfSpecificityType[SIZE_OF_SPECIFICITYTYPE];
67 
69  Modification();
71  Modification(const Modification &) = default;
73  Modification(Modification&&) = default;
75  ~Modification() override;
76 
78  Modification & operator=(const Modification &) = default;
80  Modification& operator=(Modification&&) & = default;
81 
88  bool operator==(const SampleTreatment & rhs) const override;
89 
91  SampleTreatment * clone() const override;
92 
94  const String & getReagentName() const;
96  void setReagentName(const String & reagent_name);
97 
99  double getMass() const;
101  void setMass(double mass);
102 
104  const SpecificityType & getSpecificityType() const;
106  void setSpecificityType(const SpecificityType & specificity_type);
107 
109  const String & getAffectedAminoAcids() const;
111  void setAffectedAminoAcids(const String & affected_amino_acids);
112 
113 protected:
115  double mass_;
118  };
119 } // namespace OpenMS
120 
OpenMS::Modification::SpecificityType
SpecificityType
specificity of the reagent.
Definition: Modification.h:56
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::Modification
Meta information about chemical modification of a sample.
Definition: Modification.h:51
OpenMS::Modification::affected_amino_acids_
String affected_amino_acids_
Definition: Modification.h:117
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:47
OpenMS::Modification::specificity_type_
SpecificityType specificity_type_
Definition: Modification.h:116
OpenMS::SampleTreatment
Base class for sample treatments (Digestion, Modification, Tagging, ...)
Definition: SampleTreatment.h:51
SampleTreatment.h
OpenMS::Modification::reagent_name_
String reagent_name_
Definition: Modification.h:114
OpenMS::Internal::operator==
bool operator==(const IDBoostGraph::ProteinGroup &lhs, const IDBoostGraph::ProteinGroup &rhs)
String.h
OpenMS::AA
Definition: AhoCorasickAmbiguous.h:124
OpenMS::Modification::mass_
double mass_
Definition: Modification.h:115