libpappsomspp
Library for mass spectrometry
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timsframemobilitytraces.h
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1/**
2 * \file pappsomspp/vendors/tims/mobilitytraces
3 * \date 05/07/2024
4 * \author Olivier Langella
5 * \brief extracting mobility traces
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2024 Olivier Langella
10 *<Olivier.Langella@universite-paris-saclay.fr>.
11 *
12 * This file is part of the PAPPSOms++ library.
13 *
14 * PAPPSOms++ is free software: you can redistribute it and/or modify
15 * it under the terms of the GNU General Public License as published by
16 * the Free Software Foundation, either version 3 of the License, or
17 * (at your option) any later version.
18 *
19 * PAPPSOms++ is distributed in the hope that it will be useful,
20 * but WITHOUT ANY WARRANTY; without even the implied warranty of
21 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
22 * GNU General Public License for more details.
23 *
24 * You should have received a copy of the GNU General Public License
25 * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
26 *
27 ******************************************************************************/
28
29#pragma once
30
31#include "../timsframe.h"
32
33namespace pappso
34{
35/**
36 * @todo write docs
37 */
39{
40 public:
41 /**
42 * Default constructor
43 */
45
46 /**
47 * Copy constructor
48 *
49 * @param other TODO
50 */
52
53 /**
54 * Destructor
55 */
57
59 std::size_t ion_mob_begin,
60 std::size_t ion_mob_end,
61 std::size_t max_traces);
62
63 const std::vector<pappso::TraceCstSPtr> &getIonMobTraceList() const;
64 const std::vector<std::size_t> &getTofIndexList() const;
65 const std::vector<std::size_t> &getScanIndexList() const;
66 const std::vector<double> getMzList() const;
67
68 private:
70
71 std::vector<pappso::TraceCstSPtr> m_ionMobTraceList;
72 std::vector<std::size_t> m_tofIndexList;
73 std::vector<std::size_t> m_scanIndexList;
74};
75} // namespace pappso
void extractMobilityTraces(pappso::TimsFrameCstSPtr timsframe_sptr, std::size_t ion_mob_begin, std::size_t ion_mob_end, std::size_t max_traces)
pappso::TimsFrameCstSPtr mcsp_timsFrameCstSPtr
const std::vector< std::size_t > & getScanIndexList() const
std::vector< std::size_t > m_tofIndexList
std::vector< pappso::TraceCstSPtr > m_ionMobTraceList
const std::vector< double > getMzList() const
std::vector< std::size_t > m_scanIndexList
const std::vector< std::size_t > & getTofIndexList() const
const std::vector< pappso::TraceCstSPtr > & getIonMobTraceList() const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
std::shared_ptr< const TimsFrame > TimsFrameCstSPtr
Definition timsframe.h:43