libpappsomspp
Library for mass spectrometry
grpmappeptidetogroup.h
Go to the documentation of this file.
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
39namespace 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:39