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OMSSAXMLFile.h
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1// Copyright (c) 2002-present, OpenMS Inc. -- EKU Tuebingen, ETH Zurich, and FU Berlin
2// SPDX-License-Identifier: BSD-3-Clause
3//
4// --------------------------------------------------------------------------
5// $Maintainer: Timo Sachsenberg $
6// $Authors: Andreas Bertsch $
7// --------------------------------------------------------------------------
8
9#pragma once
10
18
19#include <vector>
20
21namespace OpenMS
22{
23 class ModificationsDB;
24
33 class OPENMS_DLLAPI OMSSAXMLFile :
34 protected Internal::XMLHandler,
36 {
37public:
38
41
43 ~OMSSAXMLFile() override;
61 void load(const std::string& filename,
62 ProteinIdentification& protein_identification,
64 bool load_proteins = true,
65 bool load_empty_hits = true);
66
69
70protected:
71 // Docu in base class
72 void endElement(const XMLCh* const /*uri*/, const XMLCh* const /*local_name*/, const XMLCh* const qname) override;
73
74 // Docu in base class
75 void startElement(const XMLCh* const /*uri*/, const XMLCh* const /*local_name*/, const XMLCh* const qname, const xercesc::Attributes& attributes) override;
76
77 // Docu in base class
78 void characters(const XMLCh* const chars, const XMLSize_t /*length*/) override;
79
80private:
81
83
85
88
91
93
95
97
98 std::vector<PeptideEvidence> actual_peptide_evidences_;
99
101
103
104 std::string tag_;
105
108
110 std::string actual_mod_type_;
111
113 std::vector<std::pair<UInt, std::string> > modifications_;
114
117
120
122 std::map<UInt, std::vector<const ResidueModification*> > mods_map_;
123
125 std::map<std::string, UInt> mods_to_num_;
126
129 };
130
131} // namespace OpenMS
132
char16_t XMLCh
Definition ClassTest.h:30
Base class for loading and storing XML files via Xerces, with optional schema validation and transpar...
Definition XMLFile.h:38
Base class for XML handlers.
Definition XMLHandler.h:316
Definition ModificationDefinitionsSet.h:34
Used to load OMSSAXML files.
Definition OMSSAXMLFile.h:36
std::vector< PeptideEvidence > actual_peptide_evidences_
Definition OMSSAXMLFile.h:98
PeptideEvidence actual_peptide_evidence_
Definition OMSSAXMLFile.h:96
void readMappingFile_()
reads the mapping file needed for modifications
ProteinIdentification actual_protein_id_
Definition OMSSAXMLFile.h:102
PeptideIdentification actual_peptide_id_
Definition OMSSAXMLFile.h:100
std::map< UInt, std::vector< const ResidueModification * > > mods_map_
modifications mapping file from OMSSA mod num to UniMod accession
Definition OMSSAXMLFile.h:122
PeptideHit actual_peptide_hit_
Definition OMSSAXMLFile.h:94
ModificationDefinitionsSet mod_def_set_
modification definitions set of the search, needed to annotate fixed modifications
Definition OMSSAXMLFile.h:128
OMSSAXMLFile()
Default constructor.
OMSSAXMLFile(const OMSSAXMLFile &rhs)
std::vector< std::pair< UInt, std::string > > modifications_
modifications of the peptide defined by site and type
Definition OMSSAXMLFile.h:113
std::string tag_
Definition OMSSAXMLFile.h:104
ProteinHit actual_protein_hit_
Definition OMSSAXMLFile.h:92
bool load_empty_hits_
should empty peptide identifications be loaded or skipped?
Definition OMSSAXMLFile.h:119
void startElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname, const xercesc::Attributes &attributes) override
OMSSAXMLFile & operator=(const OMSSAXMLFile &rhs)
void setModificationDefinitionsSet(const ModificationDefinitionsSet &rhs)
sets the valid modifications
bool load_proteins_
should protein hits be read from the file?
Definition OMSSAXMLFile.h:116
void characters(const XMLCh *const chars, const XMLSize_t) override
std::map< std::string, UInt > mods_to_num_
modification mapping reverse, from the modification to the mod_num
Definition OMSSAXMLFile.h:125
std::string actual_mod_type_
type of the modification
Definition OMSSAXMLFile.h:110
~OMSSAXMLFile() override
Destructor.
void endElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname) override
UInt actual_mod_site_
site of the actual modification (simple position in the peptide)
Definition OMSSAXMLFile.h:107
PeptideIdentificationList * peptide_identifications_
the identifications (storing the peptide hits)
Definition OMSSAXMLFile.h:90
Representation of a peptide evidence.
Definition PeptideEvidence.h:28
Represents a single spectrum match (candidate) for a specific tandem mass spectrum (MS/MS).
Definition PeptideHit.h:52
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
Represents the set of candidates (SpectrumMatches) identified for a single precursor spectrum.
Definition PeptideIdentification.h:66
Representation of a protein hit.
Definition ProteinHit.h:35
Representation of a protein identification run.
Definition ProteinIdentification.h:55
unsigned int UInt
Unsigned integer type.
Definition Types.h:64
void load(const std::string &filename, ProteinIdentification &protein_identification, PeptideIdentificationList &id_data, bool load_proteins=true, bool load_empty_hits=true)
loads data from a OMSSAXML file
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19