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PepXMLFileMascot.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: Nico Pfeifer $
7// --------------------------------------------------------------------------
8
9#pragma once
10
16
17#include <vector>
18
19namespace OpenMS
20{
28 class OPENMS_DLLAPI PepXMLFileMascot :
29 protected Internal::XMLHandler,
31 {
32public:
33
36
43 void load(const std::string & filename, std::map<std::string, std::vector<AASequence> > & peptides);
44
45protected:
46
47 // Docu in base class
48 void onEndElement(const char16_t* qname) override;
49
50 // Docu in base class
51 void onStartElement(const char16_t* qname, const Internal::XMLAttributes& attributes) override;
52
53 void matchModification_(double mass, std::string & modification_description);
54
56
57
58
60 std::string actual_title_;
61
63 std::string actual_sequence_;
64
66 std::vector<std::pair<std::string, UInt> > actual_modifications_;
67
69 std::map<std::string, std::vector<AASequence> > * peptides_;
70
72 std::vector<AASequence> actual_aa_sequences_;
73
75 std::vector<std::string> fixed_modifications_;
76
78 std::vector<std::pair<std::string, double> > variable_modifications_;
80 };
81
82} // namespace OpenMS
83
Xerces-free, lightweight view over the attribute list of an XML element.
Definition XMLAttributes.h:32
Base class for loading and storing XML files via Xerces, with optional schema validation and transpar...
Definition XMLFile.h:40
Base class for XML handlers.
Definition XMLHandler.h:42
Used to load Mascot PepXML files.
Definition PepXMLFileMascot.h:31
std::vector< std::pair< std::string, double > > variable_modifications_
stores the variable residue modifications
Definition PepXMLFileMascot.h:78
void matchModification_(double mass, std::string &modification_description)
std::string actual_title_
Pointer to fill in protein identifications.
Definition PepXMLFileMascot.h:60
std::vector< std::pair< std::string, UInt > > actual_modifications_
The modifications of the actual peptide hit (position is 1-based)
Definition PepXMLFileMascot.h:66
std::map< std::string, std::vector< AASequence > > * peptides_
The peptides together with the spectrum title.
Definition PepXMLFileMascot.h:69
void onStartElement(const char16_t *qname, const Internal::XMLAttributes &attributes) override
Parsing method for opening tags.
void load(const std::string &filename, std::map< std::string, std::vector< AASequence > > &peptides)
Loads peptide sequences with modifications out of a PepXML file.
std::vector< std::string > fixed_modifications_
stores the fixed residue modifications
Definition PepXMLFileMascot.h:75
PepXMLFileMascot()
Constructor.
void onEndElement(const char16_t *qname) override
Parsing method for closing tags.
std::vector< AASequence > actual_aa_sequences_
stores the actual peptide sequences
Definition PepXMLFileMascot.h:72
std::string actual_sequence_
The sequence of the actual peptide hit.
Definition PepXMLFileMascot.h:63
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19