OpenMS  2.4.0
IndexedMzMLHandler.h
Go to the documentation of this file.
1 // --------------------------------------------------------------------------
2 // OpenMS -- Open-Source Mass Spectrometry
3 // --------------------------------------------------------------------------
4 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
5 // ETH Zurich, and Freie Universitaet Berlin 2002-2018.
6 //
7 // This software is released under a three-clause BSD license:
8 // * Redistributions of source code must retain the above copyright
9 // notice, this list of conditions and the following disclaimer.
10 // * Redistributions in binary form must reproduce the above copyright
11 // notice, this list of conditions and the following disclaimer in the
12 // documentation and/or other materials provided with the distribution.
13 // * Neither the name of any author or any participating institution
14 // may be used to endorse or promote products derived from this software
15 // without specific prior written permission.
16 // For a full list of authors, refer to the file AUTHORS.
17 // --------------------------------------------------------------------------
18 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
19 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
20 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
21 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
22 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
23 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
24 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
25 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
26 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
27 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
28 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
29 //
30 // --------------------------------------------------------------------------
31 // $Maintainer: Hannes Roest $
32 // $Authors: Hannes Roest $
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
37 #include <OpenMS/config.h>
38 #include <OpenMS/CONCEPT/Types.h>
44 
45 #include <string>
46 #include <fstream>
47 
48 namespace OpenMS
49 {
50 
51 namespace Internal
52 {
53 
78  class OPENMS_DLLAPI IndexedMzMLHandler
79  {
83  std::vector< std::pair<std::string, std::streampos> > spectra_offsets_;
85  std::vector< std::pair<std::string, std::streampos> > chromatograms_offsets_;
87  std::streampos index_offset_;
91  std::ifstream filestream_;
96 
105  void parseFooter_(String filename);
106 
107  std::string getChromatogramById_helper_(int id);
108 
109  std::string getSpectrumById_helper_(int id);
110 
111  public:
112 
117 
123  explicit IndexedMzMLHandler(const String& filename);
124 
126  IndexedMzMLHandler(const IndexedMzMLHandler& source);
127 
130 
136  void openFile(String filename);
137 
147  bool getParsingSuccess() const;
148 
150  size_t getNrSpectra() const;
151 
153  size_t getNrChromatograms() const;
154 
163  OpenMS::Interfaces::SpectrumPtr getSpectrumById(int id);
164 
173  const OpenMS::MSSpectrum getMSSpectrumById(int id);
174 
184  void getMSSpectrumById(int id, OpenMS::MSSpectrum& s);
185 
194  OpenMS::Interfaces::ChromatogramPtr getChromatogramById(int id);
195 
204  const OpenMS::MSChromatogram getMSChromatogramById(int id);
205 
215  void getMSChromatogramById(int id, OpenMS::MSChromatogram& c);
216 
218  void setSkipXMLChecks(bool skip)
219  {
220  skip_xml_checks_ = skip;
221  }
222 
223  };
224 }
225 }
226 
boost::shared_ptr< Spectrum > SpectrumPtr
Definition: openms/include/OpenMS/INTERFACES/DataStructures.h:236
boost::shared_ptr< Chromatogram > ChromatogramPtr
Definition: openms/include/OpenMS/INTERFACES/DataStructures.h:156
A more convenient string class.
Definition: String.h:57
bool skip_xml_checks_
Whether to skip XML checks.
Definition: IndexedMzMLHandler.h:95
The representation of a chromatogram.
Definition: MSChromatogram.h:54
bool parsing_success_
Whether parsing the indexedmzML file was successful.
Definition: IndexedMzMLHandler.h:93
const double c
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
std::vector< std::pair< std::string, std::streampos > > chromatograms_offsets_
Binary offsets to all chromatograms.
Definition: IndexedMzMLHandler.h:85
The representation of a 1D spectrum.
Definition: MSSpectrum.h:66
std::streampos index_offset_
offset to the <indexList> element
Definition: IndexedMzMLHandler.h:87
String filename_
Name of the file.
Definition: IndexedMzMLHandler.h:81
void setSkipXMLChecks(bool skip)
Whether to skip some XML checks (removing whitespace from base64 arrays) and be fast instead...
Definition: IndexedMzMLHandler.h:218
std::vector< std::pair< std::string, std::streampos > > spectra_offsets_
Binary offsets to all spectra.
Definition: IndexedMzMLHandler.h:83
bool spectra_before_chroms_
Whether spectra are written before chromatograms in this file.
Definition: IndexedMzMLHandler.h:89
A low-level class to read an indexedmzML file.
Definition: IndexedMzMLHandler.h:78
std::ifstream filestream_
The current filestream (opened by openFile)
Definition: IndexedMzMLHandler.h:91