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 
34 namespace 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:49