| OpenMS 2.5.0

Modification.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Marc Sturm $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/METADATA/SampleTreatment.h>
38
39 #include <OpenMS/DATASTRUCTURES/String.h>
40
41 namespace OpenMS
42 {
51 class OPENMS_DLLAPI Modification :
52 public SampleTreatment
53 {
54 public:
56 enum SpecificityType
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:
114 String reagent_name_;
115 double mass_;
116 SpecificityType specificity_type_;
117 String affected_amino_acids_;
118 };
119 } // namespace OpenMS
120
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::SampleTreatment
Base class for sample treatments (Digestion, Modification, Tagging, ...)
Definition: SampleTreatment.h:51
OpenMS::Modification::reagent_name_
String reagent_name_
Definition: Modification.h:114
OpenMS::Modification::mass_
double mass_
Definition: Modification.h:115
OpenMS::Modification
Meta information about chemical modification of a sample.
Definition: Modification.h:51
String.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::Modification::specificity_type_
SpecificityType specificity_type_
Definition: Modification.h:116
OpenMS::Modification::SpecificityType
SpecificityType
specificity of the reagent.
Definition: Modification.h:56
SampleTreatment.h
OpenMS::Modification::affected_amino_acids_
String affected_amino_acids_
Definition: Modification.h:117
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806