libpappsomspp
Library for mass spectrometry
Loading...
Searching...
No Matches
peakionisotopematch.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 MassChroqPRM.
6 * *
7 * * MassChroqPRM 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 * * MassChroqPRM 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 MassChroqPRM. 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#pragma once
26
27#include "../exportinmportconfig.h"
28#include "peakionmatch.h"
29#include "../peptide/peptidenaturalisotopeaverage.h"
30
31namespace pappso
32{
33class PeakIonIsotopeMatch;
34typedef std::shared_ptr<const PeakIonIsotopeMatch> PeakIonIsotopeMatchCstSPtr;
35
36
37/** @brief find the first element containing the complementary ion
38 * complementary ion of y1 is b(n-1) for instance
39 * */
40PMSPP_LIB_DECL std::vector<PeakIonIsotopeMatch>::iterator
41findComplementIonType(std::vector<PeakIonIsotopeMatch>::iterator begin,
42 std::vector<PeakIonIsotopeMatch>::iterator end,
43 const PeakIonIsotopeMatch &peak_ion,
44 std::size_t peptide_size);
45
47{
48 public:
50 const DataPoint &peak,
51 const PeptideNaturalIsotopeAverageSp &naturalIsotopeAverageSp,
52 const PeptideFragmentIonSp &ion_sp);
55 virtual ~PeakIonIsotopeMatch();
56
57 virtual const PeptideNaturalIsotopeAverageSp &
58 getPeptideNaturalIsotopeAverageSp() const;
59
60 PeakIonIsotopeMatch &operator=(const PeakIonIsotopeMatch &other);
61
62 virtual QString toString() const;
63
64 private:
66};
67
68
69} // namespace pappso
70
PeptideNaturalIsotopeAverageSp _naturalIsotopeAverageSp
#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 PeptideFragmentIon > PeptideFragmentIonSp
std::shared_ptr< const PeptideNaturalIsotopeAverage > PeptideNaturalIsotopeAverageSp
std::shared_ptr< const PeakIonIsotopeMatch > PeakIonIsotopeMatchCstSPtr
std::vector< PeakIonIsotopeMatch >::iterator findComplementIonType(std::vector< PeakIonIsotopeMatch >::iterator begin, std::vector< PeakIonIsotopeMatch >::iterator end, const PeakIonIsotopeMatch &peak_ion, std::size_t peptide_size)
find the first element containing the complementary ion complementary ion of y1 is b(n-1) for instanc...
Q_DECLARE_METATYPE(pappso::PeakIonIsotopeMatchCstSPtr)
associate a peak and a peptide + charge