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
42namespace 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:38
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39