libpappsomspp
Library for mass spectrometry
ionisotoperatioscore.h
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1/**
2 * \file pappsomspp/psm/experimental/ionisotoperatioscore.h
3 * \date 18/05/2019
4 * \author Olivier Langella
5 * \brief psm score computed using ion isotopes
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2019 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 ******************************************************************************/
27
28#pragma once
29
30
31#include "../../massspectrum/massspectrum.h"
32#include "../../peptide/peptide.h"
33
34namespace pappso
35{
37{
38 public:
39 IonIsotopeRatioScore(const MassSpectrum &spectrum,
40 const PeptideSp &peptide_sp,
41 unsigned int parent_charge,
42 PrecisionPtr precision,
43 std::vector<PeptideIon> ion_list);
44 virtual ~IonIsotopeRatioScore();
45
46 pappso::pappso_double getIonIsotopeRatioScore() const;
47
48 private:
50};
51} // namespace pappso
pappso::pappso_double m_ionIsotopeRatioScore
Class to represent a mass spectrum.
Definition: massspectrum.h:71
#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
double pappso_double
A type definition for doubles.
Definition: types.h:48