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
34namespace pappso
35{
37{
38}
39
41{
42}
43
45Ion::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:48