libpappsomspp
Library for mass spectrometry
ion.cpp
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1 /**
2  * \file pappsomspp/peptide/ion.cpp
3  * \date 10/3/2015
4  * \author Olivier Langella
5  * \brief ion interface
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 #include "ion.h"
32 #include "../pappsoexception.h"
33 
34 namespace pappso
35 {
37 {
38 }
39 
41 {
42 }
43 
45 Ion::getMz(unsigned int charge) const
46 {
47  if(charge == 0)
48  {
49  throw PappsoException("charge == 0");
50  }
51  return ((getMass() + (MHPLUS * charge)) / charge);
52 }
53 } // namespace pappso
virtual pappso_double getMass() const =0
~Ion()
Definition: ion.cpp:40
virtual pappso_double getMz(unsigned int charge) const final
Definition: ion.cpp:45
ion interface
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
const pappso_double MHPLUS(1.007276466879)
double pappso_double
A type definition for doubles.
Definition: types.h:49