libpappsomspp
Library for mass spectrometry
filterremovec13.h
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1 /**
2  * \file pappsomspp/processing/filters/filterremovec13.h
3  * \date 19/08/2020
4  * \author Olivier Langella
5  * \brief sum peaks under a triangle base
6  */
7 
8 /*******************************************************************************
9  * Copyright (c) 2020 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 #include "filterinterface.h"
31 
32 #include "../../trace/trace.h"
33 
34 /**
35  * @brief tries to keep as much as possible monoisotopes, removing any possible
36  * C13 peaks
37  *
38  * first sort peaks by decreasing intensities, then keep most intense ones and
39  * avoid any peaks in possible C13 windows after
40  */
41 
42 namespace pappso
43 {
45 {
46  public:
47  /**
48  * Default constructor
49  */
50  FilterRemoveC13(PrecisionPtr precision_ptr);
51 
52  /**
53  * Copy constructor
54  *
55  * @param other TODO
56  */
57  FilterRemoveC13(const FilterRemoveC13 &other);
58 
59  /**
60  * Destructor
61  */
62  virtual ~FilterRemoveC13();
63 
64 
65  Trace &filter(Trace &data_points) const override;
66 
67  private:
68  bool notExcluded(std::vector<std::pair<double, double>> &exclusionMassMap,
69  double mass) const;
70  void addExclusionMap(std::vector<std::pair<double, double>> &exclusionMassMap,
71  double mass) const;
72 
73  private:
77 };
78 } // namespace pappso
generic interface to apply a filter on a trace
A simple container of DataPoint instances.
Definition: trace.h:148
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39