libpappsomspp
Library for mass spectrometry
grpmappeptidetogroup.h
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1 /**
2  * \file pappsomspp/grouping/grpmappeptidegroup.h
3  * \date 15/12/2017
4  * \author Olivier Langella
5  * \brief keep trace of peptide to group assignment
6  */
7 
8 /*******************************************************************************
9  * Copyright (c) 2017 Olivier Langella <Olivier.Langella@u-psud.fr>.
10  *
11  * This file is part of the PAPPSOms++ library.
12  *
13  * PAPPSOms++ is free software: you can redistribute it and/or modify
14  * it under the terms of the GNU General Public License as published by
15  * the Free Software Foundation, either version 3 of the License, or
16  * (at your option) any later version.
17  *
18  * PAPPSOms++ is distributed in the hope that it will be useful,
19  * but WITHOUT ANY WARRANTY; without even the implied warranty of
20  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
21  * GNU General Public License for more details.
22  *
23  * You should have received a copy of the GNU General Public License
24  * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
25  *
26  * Contributors:
27  * Olivier Langella <Olivier.Langella@u-psud.fr> - initial API and
28  *implementation
29  ******************************************************************************/
30 
31 #ifndef GRPMAPPEPTIDETOGROUP_H
32 #define GRPMAPPEPTIDETOGROUP_H
33 
34 #include <map>
35 
36 #include "grppeptideset.h"
37 #include "grpgroup.h"
38 
39 namespace pappso
40 {
41 
43 {
44  private:
45  std::map<GrpPeptide *, GrpGroupSp> m_mapPeptideToGroup;
46 
47  public:
51 
52  /** @brief get all groups concerned by a list of peptides
53  */
54  void getGroupList(const GrpPeptideSet &peptide_set_in,
55  std::list<GrpGroupSp> &impacted_group_list) const;
56 
57  /** @brief set peptide keys pointing on the group
58  */
59  void set(const GrpPeptideSet &peptide_set_in, GrpGroupSp grp_group);
60 
61  void clear(std::list<GrpGroupSp> &grp_group_list);
62 };
63 } // namespace pappso
64 #endif // GRPMAPPEPTIDETOGROUP_H
void clear(std::list< GrpGroupSp > &grp_group_list)
std::map< GrpPeptide *, GrpGroupSp > m_mapPeptideToGroup
void getGroupList(const GrpPeptideSet &peptide_set_in, std::list< GrpGroupSp > &impacted_group_list) const
get all groups concerned by a list of peptides
void set(const GrpPeptideSet &peptide_set_in, GrpGroupSp grp_group)
set peptide keys pointing on the group
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
std::shared_ptr< GrpGroup > GrpGroupSp
Definition: grpgroup.h:38