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IndexedMzMLHandler.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: Hannes Roest $
6// $Authors: Hannes Roest $
7// --------------------------------------------------------------------------
8
9#pragma once
10
11#include <OpenMS/config.h>
18
19#include <string>
20#include <fstream>
21#include <unordered_map>
22
23namespace OpenMS
24{
25
26namespace Internal
27{
28
53 class OPENMS_DLLAPI IndexedMzMLHandler
54 {
58 std::vector< std::streampos > spectra_offsets_;
60 std::unordered_map< std::string, Size > spectra_native_ids_;
62 std::vector< std::streampos > chromatograms_offsets_;
64 std::unordered_map< std::string, Size > chromatograms_native_ids_;
66 std::streampos index_offset_;
70 std::ifstream filestream_;
75
85
86 std::string getChromatogramById_helper_(int id);
87
88 std::string getSpectrumById_helper_(int id);
89
90 public:
91
96
102 explicit IndexedMzMLHandler(const String& filename);
103
106
109
115 void openFile(const String& filename);
116
126 bool getParsingSuccess() const;
127
129 size_t getNrSpectra() const;
130
132 size_t getNrChromatograms() const;
133
143
153
163 void getMSSpectrumByNativeId(const std::string& id, OpenMS::MSSpectrum& s);
164
175
185
195
206
217
219 void setSkipXMLChecks(bool skip)
220 {
221 skip_xml_checks_ = skip;
222 }
223
224 };
225}
226}
227
A low-level class to read an indexedmzML file.
Definition IndexedMzMLHandler.h:54
void getMSSpectrumById(int id, OpenMS::MSSpectrum &s)
Retrieve the raw data for the spectrum at position "id".
void openFile(const String &filename)
Open a file.
std::string getSpectrumById_helper_(int id)
void setSkipXMLChecks(bool skip)
Whether to skip some XML checks (removing whitespace from base64 arrays) and be fast instead.
Definition IndexedMzMLHandler.h:219
void getMSChromatogramById(int id, OpenMS::MSChromatogram &c)
Retrieve the raw data for the chromatogram at position "id".
void getMSSpectrumByNativeId(const std::string &id, OpenMS::MSSpectrum &s)
Retrieve the raw data for the spectrum with native id "id".
bool spectra_before_chroms_
Whether spectra are written before chromatograms in this file.
Definition IndexedMzMLHandler.h:68
size_t getNrSpectra() const
Returns the number of spectra available.
const OpenMS::MSSpectrum getMSSpectrumById(int id)
Retrieve the raw data for the spectrum at position "id".
String filename_
Name of the file.
Definition IndexedMzMLHandler.h:56
IndexedMzMLHandler(const String &filename)
Constructor.
IndexedMzMLHandler(const IndexedMzMLHandler &source)
Copy constructor.
std::string getChromatogramById_helper_(int id)
void getMSChromatogramByNativeId(const std::string &id, OpenMS::MSChromatogram &c)
Retrieve the raw data for the chromatogram with native id "id".
void parseFooter_()
Try to parse the footer of the indexedmzML.
bool getParsingSuccess() const
Returns whether parsing was successful.
const OpenMS::MSChromatogram getMSChromatogramById(int id)
Retrieve the raw data for the chromatogram at position "id".
OpenMS::Interfaces::ChromatogramPtr getChromatogramById(int id)
Retrieve the raw data for the chromatogram at position "id".
std::vector< std::streampos > chromatograms_offsets_
Binary offsets to all chromatograms.
Definition IndexedMzMLHandler.h:62
std::vector< std::streampos > spectra_offsets_
Binary offsets to all spectra.
Definition IndexedMzMLHandler.h:58
size_t getNrChromatograms() const
Returns the number of chromatograms available.
OpenMS::Interfaces::SpectrumPtr getSpectrumById(int id)
Retrieve the raw data for the spectrum at position "id".
std::unordered_map< std::string, Size > spectra_native_ids_
Mapping of spectra native ids to offsets.
Definition IndexedMzMLHandler.h:60
bool parsing_success_
Whether parsing the indexedmzML file was successful.
Definition IndexedMzMLHandler.h:72
std::streampos index_offset_
offset to the <indexList> element
Definition IndexedMzMLHandler.h:66
std::ifstream filestream_
The current filestream (opened by openFile)
Definition IndexedMzMLHandler.h:70
std::unordered_map< std::string, Size > chromatograms_native_ids_
Mapping of chromatogram native ids to offsets.
Definition IndexedMzMLHandler.h:64
IndexedMzMLHandler()
Default constructor.
bool skip_xml_checks_
Whether to skip XML checks.
Definition IndexedMzMLHandler.h:74
The representation of a chromatogram.
Definition MSChromatogram.h:30
The representation of a 1D spectrum.
Definition MSSpectrum.h:44
A more convenient string class.
Definition String.h:34
std::shared_ptr< Chromatogram > ChromatogramPtr
Definition openms/include/OpenMS/INTERFACES/DataStructures.h:130
std::shared_ptr< Spectrum > SpectrumPtr
Definition openms/include/OpenMS/INTERFACES/DataStructures.h:210
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19