OpenMS
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 
71  Modification(const Modification &) = default;
73  Modification(Modification&&) = default;
75  ~Modification() override;
76 
78  Modification & operator=(const 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 
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 
Meta information about chemical modification of a sample.
Definition: Modification.h:53
void setReagentName(const String &reagent_name)
sets the name of the reagent that was used
const SpecificityType & getSpecificityType() const
returns the specificity of the reagent (default: AA)
double mass_
Definition: Modification.h:115
const String & getAffectedAminoAcids() const
returns a string containing the one letter code of the amino acids that are affected by the reagent....
const String & getReagentName() const
returns the name of the reagent that was used (default: "")
Modification(Modification &&)=default
Move constructor.
String affected_amino_acids_
Definition: Modification.h:117
Modification & operator=(const Modification &)=default
Assignment operator.
String reagent_name_
Definition: Modification.h:114
SpecificityType
specificity of the reagent.
Definition: Modification.h:57
void setAffectedAminoAcids(const String &affected_amino_acids)
returns a string containing the one letter code of the amino acids that are affected by the reagent....
void setSpecificityType(const SpecificityType &specificity_type)
sets the specificity of the reagent
~Modification() override
Destructor.
void setMass(double mass)
sets the mass change
Modification()
Default constructor.
bool operator==(const SampleTreatment &rhs) const override
Equality operator.
SampleTreatment * clone() const override
clone method. See SampleTreatment
SpecificityType specificity_type_
Definition: Modification.h:116
Modification(const Modification &)=default
Copy constructor.
Modification & operator=(Modification &&) &=default
Move assignment operator.
double getMass() const
returns the mass change (default: 0.0)
Base class for sample treatments (Digestion, Modification, Tagging, ...)
Definition: SampleTreatment.h:53
A more convenient string class.
Definition: String.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48
Definition: AhoCorasickAmbiguous.h:125