| OpenMS 2.5.0

PepNovoInfile.h
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2 // OpenMS -- Open-Source Mass Spectrometry
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31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/DATASTRUCTURES/String.h>
38 #include <OpenMS/CHEMISTRY/ModificationDefinitionsSet.h>
39 #include <OpenMS/FORMAT/TextFile.h>
40
41 #include <map>
42
43
44 namespace OpenMS
45 {
53 class OPENMS_DLLAPI PepNovoInfile
54 {
55 public:
57 PepNovoInfile();
58
60 PepNovoInfile(const PepNovoInfile & pepnovo_infile);
61
63 virtual ~PepNovoInfile();
64
66 PepNovoInfile & operator=(const PepNovoInfile & pepnovo_infile);
67
69 bool operator==(const PepNovoInfile & pepnovo_infile) const;
70
76 void store(const String & filename);
77
83 void setModifications(const StringList & fixed_mods, const StringList & variable_mods);
84
91 void getModifications(std::map<String, String> & modification_key_map) const;
92
93 private:
94 ModificationDefinitionsSet mods_;
95 std::map<String, String> mods_and_keys_;
96 TextFile ptm_file_;
97
98
104 String handlePTMs_(const String & modification, const bool variable);
105 };
106
107 } // namespace OpenMS
108
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::PepNovoInfile::mods_and_keys_
std::map< String, String > mods_and_keys_
Definition: PepNovoInfile.h:95
String.h
ModificationDefinitionsSet.h
TextFile.h
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::StringList
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
OpenMS::ModificationDefinitionsSet
Representation of a set of modification definitions.
Definition: ModificationDefinitionsSet.h:58
OpenMS::PepNovoInfile::ptm_file_
TextFile ptm_file_
Definition: PepNovoInfile.h:96
OpenMS::PepNovoInfile::mods_
ModificationDefinitionsSet mods_
Definition: PepNovoInfile.h:94
OpenMS::PepNovoInfile
PepNovo input file adapter.
Definition: PepNovoInfile.h:53
OpenMS::TextFile
This class provides some basic file handling methods for text files.
Definition: TextFile.h:46
KDTree::operator==
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806