libpappsomspp
Library for mass spectrometry
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mzcalibrationstore.h
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1/**
2 * \file pappsomspp/vendors/tims/mzcalibration/mzcalibratiostore.h
3 * \date 12/11/2020
4 * \author Olivier Langella
5 * \brief store a collection of MzCalibration models
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2020 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 ******************************************************************************/
27
28#pragma once
29
30#include <QSqlRecord>
32#include <map>
33
34namespace pappso
35{
36/**
37 * @todo write docs
38 */
40{
41 public:
42 /**
43 * @todo write docs
44 */
46
47 /**
48 * @todo write docs
49 */
50 virtual ~MzCalibrationStore();
51
53 double T1_frame, double T2_frame, const QSqlRecord &mzcalibration_record);
54
55 private:
56 std::map<QString, MzCalibrationInterfaceSPtr> m_mapMzCalibrationSPtr;
57};
58} // namespace pappso
std::map< QString, MzCalibrationInterfaceSPtr > m_mapMzCalibrationSPtr
MzCalibrationInterfaceSPtr getInstance(double T1_frame, double T2_frame, const QSqlRecord &mzcalibration_record)
handles different ways to compute m/z using calibration parameters
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
std::shared_ptr< MzCalibrationInterface > MzCalibrationInterfaceSPtr