libpappsomspp
Library for mass spectrometry
xiccoordtims.h
Go to the documentation of this file.
1 /**
2  * \file pappsomspp/msrun/xiccoord/xiccoordtims.h
3  * \date 22/04/2021
4  * \author Olivier Langella
5  * \brief XIC coordinate in a Tims MSrun
6  */
7 
8 
9 /*******************************************************************************
10  * Copyright (c) 2021 Olivier Langella
11  *<Olivier.Langella@universite-paris-saclay.fr>.
12  *
13  * This file is part of the PAPPSOms++ library.
14  *
15  * PAPPSOms++ is free software: you can redistribute it and/or modify
16  * it under the terms of the GNU General Public License as published by
17  * the Free Software Foundation, either version 3 of the License, or
18  * (at your option) any later version.
19  *
20  * PAPPSOms++ is distributed in the hope that it will be useful,
21  * but WITHOUT ANY WARRANTY; without even the implied warranty of
22  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
23  * GNU General Public License for more details.
24  *
25  * You should have received a copy of the GNU General Public License
26  * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
27  *
28  ******************************************************************************/
29 
30 #pragma once
31 
32 #include "xiccoord.h"
33 
34 namespace pappso
35 {
36 
37 
38 struct XicCoordTims;
39 
40 typedef std::shared_ptr<XicCoordTims> XicCoordTimsSPtr;
41 
42 /** @brief coordinates of the XIC to extract and the resulting XIC after
43  * extraction
44  *
45  * to extract a XIC, we need basically the mass to extract it
46  * this structure is meant to extact a XIC quickly and not to maintain
47  * information about it : no peptide, no scan number, no retention time...
48  *
49  */
51 {
52  /**
53  * Default constructor
54  */
56 
57  /**
58  * Copy constructor
59  *
60  * @param other TODO
61  */
62  XicCoordTims(const XicCoordTims &other);
63 
64  /**
65  * Destructor
66  */
67  virtual ~XicCoordTims();
68 
69 
70  /** @brief intialize the XIC and make a deep copy of object
71  */
72  virtual XicCoordSPtr initializeAndClone() const override;
73 
74 
75  virtual XicCoordSPtr addition(XicCoordSPtr &to_add) const override;
76 
77  virtual XicCoordSPtr multiplyBy(double number) const override;
78  virtual XicCoordSPtr divideBy(double number) const override;
79 
80  virtual void reset() override;
81 
82  virtual QString toString() const override;
83 
84 
85  /** @brief mobility index begin
86  */
87  std::size_t scanNumBegin;
88 
89  /** @brief mobility index end
90  */
91  std::size_t scanNumEnd;
92 };
93 
94 } // namespace pappso
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
std::shared_ptr< XicCoordTims > XicCoordTimsSPtr
Definition: xiccoordtims.h:38
std::shared_ptr< XicCoord > XicCoordSPtr
Definition: xiccoord.h:41
coordinates of the XIC to extract and the resulting XIC after extraction
Definition: xiccoordtims.h:51
std::size_t scanNumEnd
mobility index end
Definition: xiccoordtims.h:91
std::size_t scanNumBegin
mobility index begin
Definition: xiccoordtims.h:87
coordinates of the XIC to extract and the resulting XIC after extraction
Definition: xiccoord.h:54
XIC coordinate in MSrun.