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File: src/XpertMass/includes/libXpertMass/ChemicalGroupRule.hpp
Date: 2024-08-24 11:26:06
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1 /* BEGIN software license
2 *
3 * MsXpertSuite - mass spectrometry software suite
4 * -----------------------------------------------
5 * Copyright(C) 2009,...,2018 Filippo Rusconi
6 *
7 * http://www.msxpertsuite.org
8 *
9 * This file is part of the MsXpertSuite project.
10 *
11 * The MsXpertSuite project is the successor of the massXpert project. This
12 * project now includes various independent modules:
13 *
14 * - massXpert, model polymer chemistries and simulate mass spectrometric data;
15 * - mineXpert, a powerful TIC chromatogram/mass spectrum viewer/miner;
16 *
17 * This program is free software: you can redistribute it and/or modify
18 * it under the terms of the GNU General Public License as published by
19 * the Free Software Foundation, either version 3 of the License, or
20 * (at your option) any later version.
21 *
22 * This program is distributed in the hope that it will be useful,
23 * but WITHOUT ANY WARRANTY; without even the implied warranty of
24 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
25 * GNU General Public License for more details.
26 *
27 * You should have received a copy of the GNU General Public License
28 * along with this program. If not, see <http://www.gnu.org/licenses/>.
29 *
30 * END software license
31 */
32
33
34 #pragma once
35
36
37 /////////////////////// Qt includes
38 #include <QString>
39 #include <QList>
40 #include <QDomElement>
41
42
43
44 /////////////////////// Local includes
45 #include "exportimportconfig.h"
46
47
48 namespace MsXpS
49 {
50
51 namespace libXpertMass
52 {
53
54 enum ChemicalGroupRuleFate
55 {
56 LOST = 0,
57 PRESERVED = 1,
58 };
59
60
61 class DECLSPEC ChemicalGroupRule
62 {
63 public:
64 ChemicalGroupRule(QString = QString(),
65 QString = QString(),
66 ChemicalGroupRuleFate = ChemicalGroupRuleFate::LOST);
67 ~ChemicalGroupRule()
68 {
69 }
70
71 void setEntity(QString);
72 QString entity();
73
74 void setName(QString);
75 QString name();
76
77 void setFate(ChemicalGroupRuleFate);
78 ChemicalGroupRuleFate fate();
79
80 bool renderXmlElement(const QDomElement &element);
81
82 protected:
83 QString m_name;
84 QString m_entity;
85
86 ChemicalGroupRuleFate m_chemicalGroupFate;
87 };
88
89 } // namespace libXpertMass
90
91 } // namespace MsXpS
92