libpappsomspp
Library for mass spectrometry
xiccoordtims.h
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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
34namespace pappso
35{
36
37
38struct XicCoordTims;
39
40typedef 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:40
std::shared_ptr< XicCoord > XicCoordSPtr
Definition: xiccoord.h:43
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.