libpappsomspp
Library for mass spectrometry
mzcalibrationstore.h
Go to the documentation of this file.
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>
31 #include "mzcalibrationinterface.h"
32 #include <map>
33 
34 namespace 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