libpappsomspp
Library for mass spectrometry
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msrunslice.h
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1/**
2 * \file pappsomspp/xicextractor/private/msrunslice.h
3 * \date 12/05/2018
4 * \author Olivier Langella
5 * \brief one mz slice (1 dalton) of an MsRun
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2018 Olivier Langella <Olivier.Langella@u-psud.fr>.
10 *
11 * This file is part of the PAPPSOms++ library.
12 *
13 * PAPPSOms++ is free software: you can redistribute it and/or modify
14 * it under the terms of the GNU General Public License as published by
15 * the Free Software Foundation, either version 3 of the License, or
16 * (at your option) any later version.
17 *
18 * PAPPSOms++ is distributed in the hope that it will be useful,
19 * but WITHOUT ANY WARRANTY; without even the implied warranty of
20 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21 * GNU General Public License for more details.
22 *
23 * You should have received a copy of the GNU General Public License
24 * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
25 *
26 * Contributors:
27 * Olivier Langella <Olivier.Langella@u-psud.fr> - initial API and
28 *implementation
29 ******************************************************************************/
30
31#pragma once
32
33#include "../../massspectrum/massspectrum.h"
34#include <QDataStream>
35
36namespace pappso
37{
38
39class MsRunSlice;
40typedef std::shared_ptr<const MsRunSlice> MsRunSliceSPtr;
41
43{
44
45 public:
46 MsRunSlice();
47 MsRunSlice(const MsRunSlice &other);
48 virtual ~MsRunSlice();
49
51
52 void setSliceNumber(unsigned int slice_number);
53 unsigned int getSliceNumber() const;
54
55 void clear();
56 std::size_t size() const;
57
58 /** @brief set number of spectrum (mz/intensity) stored in this slice
59 */
60 void setSize(std::size_t size);
61
62 void appendToStream(QDataStream &stream, std::size_t ipos) const;
63
64 const MassSpectrum &getSpectrum(std::size_t i) const;
65 MassSpectrum &getSpectrum(std::size_t i);
66
67 /** @brief set the mass spectrum for a given index (retention time)
68 */
69 void setSpectrum(std::size_t i, const MassSpectrum &spectrum);
70
71
72 private:
73 unsigned int m_sliceNumber = 0;
74 std::vector<MassSpectrum> m_spectrumList;
75};
76
77QDataStream &operator>>(QDataStream &instream, MsRunSlice &slice);
78
79
80} // namespace pappso
Class to represent a mass spectrum.
const MassSpectrum & getSpectrum(std::size_t i) const
virtual ~MsRunSlice()
unsigned int m_sliceNumber
Definition msrunslice.h:73
MsRunSliceSPtr makeMsRunSliceSp() const
void setSpectrum(std::size_t i, const MassSpectrum &spectrum)
set the mass spectrum for a given index (retention time)
void setSliceNumber(unsigned int slice_number)
void appendToStream(QDataStream &stream, std::size_t ipos) const
unsigned int getSliceNumber() const
void setSize(std::size_t size)
set number of spectrum (mz/intensity) stored in this slice
std::size_t size() const
std::vector< MassSpectrum > m_spectrumList
Definition msrunslice.h:74
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
QDataStream & operator>>(QDataStream &instream, MassSpectrum &massSpectrum)
std::shared_ptr< const MsRunSlice > MsRunSliceSPtr
Definition msrunslice.h:40