OpenMS  3.0.0
MQMsmsExporter.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 2002-2021.
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 // $Maintainer: Chris Bielow$
32 // $Authors: Hendrik Beschorner, Lenny Kovac, Virginia Rossow$
33 // --------------------------------------------------------------------------
34 
35 #pragma once
36 
38 
39 #include <fstream>
42 #include <OpenMS/KERNEL/Feature.h>
46 
47 
63 class OPENMS_DLLAPI MQMsms
64 
65 {
66 private:
67  std::fstream file_;
68  OpenMS::Size id_ = 0;
70 
74  void exportHeader_();
75 
93  void exportRowFromFeature_(const OpenMS::Feature& f,
94  const OpenMS::ConsensusMap& cmap,
95  const OpenMS::Size c_feature_number,
96  const OpenMS::String& raw_file,
97  const std::multimap<OpenMS::String, std::pair<OpenMS::Size, OpenMS::Size>>& UIDs,
99  const OpenMS::MSExperiment& exp = {},
100  const std::map<OpenMS::String,OpenMS::String>& prot_map = {});
101 
102 public:
115  explicit MQMsms(const OpenMS::String& path);
116 
120  ~MQMsms();
121 
122  void exportFeatureMap(const OpenMS::FeatureMap& feature_map, const OpenMS::ConsensusMap& cmap,
123  const OpenMS::MSExperiment& exp, const std::map<OpenMS::String,OpenMS::String>& prot_map = {});
124 
125 };
A more convenient string class.
Definition: String.h:58
A container for features.
Definition: FeatureMap.h:98
A container for consensus elements.
Definition: ConsensusMap.h:82
std::fstream file_
Stream where the data is added to create msms.txt.
Definition: MQMsmsExporter.h:67
two way mapping from ms-run-path to protID|pepID-identifier
Definition: ProteinIdentification.h:82
An LC-MS feature.
Definition: Feature.h:70
In-Memory representation of a mass spectrometry run.
Definition: MSExperiment.h:70
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
Builds a MaxQuant msms.txt.
Definition: MQMsmsExporter.h:63
OpenMS::String filename_
path and name of the msms.txt
Definition: MQMsmsExporter.h:69