libpappsomspp
Library for mass spectrometry
peptidevariablemodificationreplacement.h
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1/**
2 * \file protein/peptidevariablemodificationreplacement.h
3 * \date 1/12/2016
4 * \author Olivier Langella
5 * \brief potential replacement of a modification by an other
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2016 Olivier Langella <Olivier.Langella@moulon.inra.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@moulon.inra.fr> - initial API and
28 *implementation
29 ******************************************************************************/
30
31#pragma once
32
34
35namespace pappso
36{
37
38
41{
42 public:
44 AaModificationP mod_after);
46
47 void setPeptideSp(std::int8_t sequence_database_id,
48 const ProteinSp &protein_sp,
49 bool is_decoy,
50 const PeptideSp &peptide_sp_original,
51 unsigned int start,
52 bool is_nter,
53 unsigned int missed_cleavage_number,
54 bool semi_enzyme) override;
55
56
57 private:
58 void replaceModificationsAtPosition(Peptide &new_peptide,
59 unsigned int position);
60
62};
63
64
65} // namespace pappso
Modify a peptide shared pointer with a variable modification on one AA.
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
std::shared_ptr< const Peptide > PeptideSp
std::shared_ptr< const Protein > ProteinSp
shared pointer on a Protein object
Definition: protein.h:47