OpenMS
Modification.h
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1 // Copyright (c) 2002-present, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
2 // SPDX-License-Identifier: BSD-3-Clause
3 //
4 // --------------------------------------------------------------------------
5 // $Maintainer: Timo Sachsenberg $
6 // $Authors: Marc Sturm $
7 // --------------------------------------------------------------------------
8 
9 #pragma once
10 
12 
14 
15 namespace OpenMS
16 {
25  class OPENMS_DLLAPI Modification :
26  public SampleTreatment
27  {
28 public:
31  {
32  AA
33  , AA_AT_CTERM
34  , AA_AT_NTERM
35  , CTERM
36  , NTERM
37  , SIZE_OF_SPECIFICITYTYPE
38  };
40  static const std::string NamesOfSpecificityType[SIZE_OF_SPECIFICITYTYPE];
41 
45  Modification(const Modification &) = default;
47  Modification(Modification&&) = default;
49  ~Modification() override;
50 
52  Modification & operator=(const Modification &) = default;
55 
62  bool operator==(const SampleTreatment & rhs) const override;
63 
65  SampleTreatment * clone() const override;
66 
68  const String & getReagentName() const;
70  void setReagentName(const String & reagent_name);
71 
73  double getMass() const;
75  void setMass(double mass);
76 
80  void setSpecificityType(const SpecificityType & specificity_type);
81 
83  const String & getAffectedAminoAcids() const;
85  void setAffectedAminoAcids(const String & affected_amino_acids);
86 
87 protected:
89  double mass_;
92  };
93 } // namespace OpenMS
94 
Meta information about chemical modification of a sample.
Definition: Modification.h:27
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:89
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:91
Modification & operator=(const Modification &)=default
Assignment operator.
String reagent_name_
Definition: Modification.h:88
SpecificityType
specificity of the reagent.
Definition: Modification.h:31
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
SampleTreatment * clone() const override
clone method. See SampleTreatment
SpecificityType specificity_type_
Definition: Modification.h:90
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:27
A more convenient string class.
Definition: String.h:34
Main OpenMS namespace.
Definition: openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19
Definition: AhoCorasickAmbiguous.h:99