| OpenMS 2.5.0

IBSpectraFile.h
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2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2020.
6 //
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30 // --------------------------------------------------------------------------
31 // $Maintainer: Timo Sachsenberg $
32 // $Authors: Stephan Aiche $
33 // --------------------------------------------------------------------------
34
35 #pragma once
36
37 #include <OpenMS/config.h>
38 #include <OpenMS/DATASTRUCTURES/StringListUtils.h>
39
40 // boost shared_ptr
41 #include <boost/shared_ptr.hpp>
42
43 namespace OpenMS
44 {
45
46 // forward declaration
47 class ConsensusMap;
48 class String;
49 class IsobaricQuantitationMethod;
50 class AASequence;
51
56 class OPENMS_DLLAPI IBSpectraFile
57 {
58 public:
62 IBSpectraFile();
63
67 IBSpectraFile(const IBSpectraFile& other);
68
72 IBSpectraFile& operator=(const IBSpectraFile& rhs);
73
82 void store(const String& filename, const ConsensusMap& cm);
83 private:
84
90 boost::shared_ptr<IsobaricQuantitationMethod> guessExperimentType_(const ConsensusMap& cm);
91
97 StringList constructHeader_(const IsobaricQuantitationMethod& quantMethod);
98
105 String getModifString_(const AASequence& sequence);
106 };
107
108 }
109
OpenMS::String
A more convenient string class.
Definition: String.h:58
OpenMS::IsobaricQuantitationMethod
Abstract base class describing an isobaric quantitation method in terms of the used channels and an i...
Definition: IsobaricQuantitationMethod.h:54
StringListUtils.h
OpenMS::AASequence
Representation of a peptide/protein sequence.
Definition: AASequence.h:113
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
OpenMS::IBSpectraFile
Implements the export of consensusmaps into the IBSpectra format used by isobar to load quantificatio...
Definition: IBSpectraFile.h:56
OpenMS::StringList
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
OpenMS::ConsensusMap
A container for consensus elements.
Definition: ConsensusMap.h:79