libpappsomspp
Library for mass spectrometry
peptidenaturalisotope.h
Go to the documentation of this file.
1 /**
2  * \file pappsomspp/peptide/peptidenaturalisotope.h
3  * \date 8/3/2015
4  * \author Olivier Langella
5  * \brief peptide natural isotope model
6  */
7 
8 /*******************************************************************************
9  * Copyright (c) 2015 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 
32 #pragma once
33 
34 
35 #include "peptide.h"
36 #include "../exportinmportconfig.h"
37 namespace pappso
38 {
39 
40 
41 class PeptideNaturalIsotope;
42 
43 typedef std::shared_ptr<const PeptideNaturalIsotope> PeptideNaturalIsotopeSp;
44 
45 class PMSPP_LIB_DECL PeptideNaturalIsotope : public PeptideInterface
46 {
47  public:
48  PeptideNaturalIsotope(const PeptideInterfaceSp &peptide,
49  const std::map<Isotope, int> &map_isotope);
50  PeptideNaturalIsotope(const PeptideNaturalIsotope &other);
51  ~PeptideNaturalIsotope();
52 
53  virtual unsigned int size() const override;
54  virtual const QString getSequence() const override;
55  pappso_double getMass() const override;
56 
57  virtual int getNumberOfAtom(AtomIsotopeSurvey atom) const override;
58  virtual int getNumberOfIsotope(Isotope isotope) const override;
59 
60  pappso_double getIntensityRatio(unsigned int charge) const;
61  const std::map<Isotope, int> &getIsotopeMap() const;
62 
63  virtual unsigned int getIsotopeNumber() const;
64 
65  virtual bool isPalindrome() const override;
66 
67 
68  private:
69  const PeptideInterfaceSp m_peptide;
70 
71  const std::map<Isotope, int> m_mapIsotope;
72  pappso_double m_ratio;
73  pappso_double m_mass;
74 };
75 
76 } // namespace pappso
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition: types.h:69
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition: exportinmportconfig.h:14
pappso
Definition: aa.cpp:38
pappso::Isotope
Isotope
Definition: types.h:111
peptide.h
peptide model
pappso::PeptideInterfaceSp
std::shared_ptr< const PeptideInterface > PeptideInterfaceSp
Definition: peptideinterface.h:59
pappso::PeptideNaturalIsotopeSp
std::shared_ptr< const PeptideNaturalIsotope > PeptideNaturalIsotopeSp
Definition: peptidenaturalisotope.h:62
pappso::AtomIsotopeSurvey
AtomIsotopeSurvey
Definition: types.h:96