libpappsomspp
Library for mass spectrometry
grppeptide.h
Go to the documentation of this file.
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"
32 #include "../exportinmportconfig.h"
33 
34 namespace pappso
35 {
36 class GrpPeptide;
37 
38 
39 typedef std::shared_ptr<const GrpPeptide> GrpPeptideSpConst;
40 typedef 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:
57  ~GrpPeptide();
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:286
std::shared_ptr< const GrpPeptide > GrpPeptideSpConst
Definition: grppeptide.h:36
std::shared_ptr< GrpPeptide > GrpPeptideSp
Definition: grppeptide.h:40
double pappso_double
A type definition for doubles.
Definition: types.h:49