libpappsomspp
Library for mass spectrometry
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grppeptide.h
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1
2/*******************************************************************************
3 * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
4 *
5 * This file is part of the PAPPSOms++ library.
6 *
7 * PAPPSOms++ is free software: you can redistribute it and/or modify
8 * it under the terms of the GNU General Public License as published by
9 * the Free Software Foundation, either version 3 of the License, or
10 * (at your option) any later version.
11 *
12 * PAPPSOms++ is distributed in the hope that it will be useful,
13 * but WITHOUT ANY WARRANTY; without even the implied warranty of
14 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
15 * GNU General Public License for more details.
16 *
17 * You should have received a copy of the GNU General Public License
18 * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
19 *
20 * Contributors:
21 * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
22 *implementation
23 ******************************************************************************/
24
25
26#pragma once
27
28
29#include <QString>
30#include <memory>
31#include "../types.h"
33
34namespace pappso
35{
36class GrpPeptide;
37
38
39typedef std::shared_ptr<const GrpPeptide> GrpPeptideSpConst;
40typedef std::shared_ptr<GrpPeptide> GrpPeptideSp;
41
43{
44 friend class GrpExperiment;
45
46 private:
47 unsigned int m_groupNumber = 0;
48 unsigned int m_rank = 0;
49
50 const QString m_sequence;
52
53 protected:
54 GrpPeptide(QString sequence, pappso_double mass);
55
56 public:
58 const QString &getSequence() const;
59
60 /** \brief sort grp peptides between each other
61 * sorts by peptide LI sequence and mass
62 */
63 bool operator<(const GrpPeptide &other) const;
64
65 void setRank(unsigned int i);
66 void setGroupNumber(unsigned int i);
67
68 const QString getGroupingId() const;
69 unsigned int getGroupNumber() const;
70 unsigned int getRank() const;
71};
72
73
74} // namespace pappso
const pappso_double m_mass
Definition grppeptide.h:51
const QString m_sequence
Definition grppeptide.h:50
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
bool operator<(Aa const &l, Aa const &r)
Definition aa.cpp:348
std::shared_ptr< const GrpPeptide > GrpPeptideSpConst
Definition grppeptide.h:39
std::shared_ptr< GrpPeptide > GrpPeptideSp
Definition grppeptide.h:40
double pappso_double
A type definition for doubles.
Definition types.h:50
This header contains all the type re-definitions and all the global variables definitions used in the...