| OpenMS 2.5.0

ModificationDefinition.h
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: $
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34 //
35
36 #pragma once
37
38 #include <OpenMS/CONCEPT/Types.h>
39 #include <OpenMS/DATASTRUCTURES/String.h>
40 #include <OpenMS/CHEMISTRY/ResidueModification.h>
41
42 namespace OpenMS
43 {
52 class OPENMS_DLLAPI ModificationDefinition
53 {
54 public:
55
59 ModificationDefinition();
61
63 ModificationDefinition(const ModificationDefinition& rhs);
64
66 explicit ModificationDefinition(const String& mod, bool fixed = true, UInt max_occur = 0);
67
69 explicit ModificationDefinition(const ResidueModification& mod, bool fixed = true, UInt max_occur = 0);
70
72 virtual ~ModificationDefinition();
74
78 void setFixedModification(bool fixed);
80
82 bool isFixedModification() const;
83
85 void setMaxOccurrences(UInt num);
86
88 UInt getMaxOccurrences() const;
89
91 String getModificationName() const;
92
94 void setModification(const String& modification);
95
101 const ResidueModification& getModification() const;
103
107 ModificationDefinition& operator=(const ModificationDefinition& element);
110
114 bool operator==(const ModificationDefinition& rhs) const;
116
118 bool operator!=(const ModificationDefinition& rhs) const;
119
121 bool operator<(const OpenMS::ModificationDefinition&) const;
123
124 protected:
125
127 const ResidueModification* mod_;
128
130 bool fixed_modification_;
131
133 UInt max_occurrences_;
134 };
135
136 } // namespace OpenMS
137
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::operator<
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
KDTree::operator!=
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
OpenMS::ResidueModification
Representation of a modification.
Definition: ResidueModification.h:76
Types.h
OpenMS::ModificationDefinition::max_occurrences_
UInt max_occurrences_
maximal number of occurrences per peptide
Definition: ModificationDefinition.h:133
OpenMS::ModificationDefinition::fixed_modification_
bool fixed_modification_
fixed (true) or variable (false)
Definition: ModificationDefinition.h:130
OpenMS::ModificationDefinition
Representation of modification definition.
Definition: ModificationDefinition.h:52
String.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::UInt
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
OpenMS::TargetedExperimentHelper::setModification
void setModification(int location, int max_size, String modification, OpenMS::AASequence &aas)
helper function that sets a modification on a AASequence object
OpenMS::ModificationDefinition::mod_
const ResidueModification * mod_
the modification
Definition: ModificationDefinition.h:127
ResidueModification.h
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806