OpenMS
FLASHDeconvFeatureFile.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 2002-2023.
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: Kyowon Jeong $
32 // $Authors: Kyowon Jeong $
33 // --------------------------------------------------------------------------
34 
35 
36 #pragma once
37 
40 #include <OpenMS/config.h>
41 #include <iomanip>
42 #include <iostream>
43 
44 
45 namespace OpenMS
46 {
52  class OPENMS_DLLAPI FLASHDeconvFeatureFile
53  {
54  public:
56  static void writeHeader(std::fstream& fs);
57 
59  static void writePromexHeader(std::fstream& fs);
60 
62  static void writeTopFDFeatureHeader(std::vector<std::fstream>& fs);
63 
65  static void writeFeatures(const std::vector<FLASHDeconvHelperStructs::MassFeature>& mass_features, const String& file_name, std::fstream& fs);
66 
67 
77  static void writeTopFDFeatures(const std::vector<FLASHDeconvHelperStructs::MassFeature>& mass_features, const std::map<int, PeakGroup>& precursor_peak_groups,
78  const std::map<int, double>& scan_rt_map, const String& file_name, std::vector<std::fstream>& fs);
79 
89  static void writePromexFeatures(const std::vector<FLASHDeconvHelperStructs::MassFeature>& mass_features, const std::map<int, PeakGroup>& precursor_peak_groups,
90  const std::map<int, double>& scan_rt_map, const FLASHDeconvHelperStructs::PrecalculatedAveragine& avg, std::fstream& fs);
91  };
92 } // namespace OpenMS
FLASHDeconv feature level output *.tsv, *.ms1ft (for Promex), *.feature (for TopPIC) file formats.
Definition: FLASHDeconvFeatureFile.h:53
static void writeHeader(std::fstream &fs)
write header line for regular file output
static void writeFeatures(const std::vector< FLASHDeconvHelperStructs::MassFeature > &mass_features, const String &file_name, std::fstream &fs)
write the features in regular file output
static void writePromexHeader(std::fstream &fs)
write header line for promex file output
static void writeTopFDFeatures(const std::vector< FLASHDeconvHelperStructs::MassFeature > &mass_features, const std::map< int, PeakGroup > &precursor_peak_groups, const std::map< int, double > &scan_rt_map, const String &file_name, std::vector< std::fstream > &fs)
Find mass features and write features in TopFD format files.
static void writePromexFeatures(const std::vector< FLASHDeconvHelperStructs::MassFeature > &mass_features, const std::map< int, PeakGroup > &precursor_peak_groups, const std::map< int, double > &scan_rt_map, const FLASHDeconvHelperStructs::PrecalculatedAveragine &avg, std::fstream &fs)
Find mass features and write features in Promex format files.
static void writeTopFDFeatureHeader(std::vector< std::fstream > &fs)
write header line for topFD feature files
Averagine patterns pre-calculated for speed up. Other variables are also calculated for fast cosine c...
Definition: FLASHDeconvHelperStructs.h:60
A more convenient string class.
Definition: String.h:60
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:48