libpappsomspp
Library for mass spectrometry
filterexclusionmz.h
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1/**
2 * \file pappsomspp/processing/filters/filterexclusionmz.h
3 * \date 09/02/2021
4 * \author Thomas Renne
5 * \brief Delete small peaks in the exclusion range
6 */
7
8/*******************************************************************************
9 * Copyright (c) 2021 Thomas Renne <thomas.renne@e.email>.
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 "filternameinterface.h"
31#include "../../trace/trace.h"
32
33namespace pappso
34{
35
37{
38 public:
39 /**
40 * Default constructor
41 */
42 FilterMzExclusion(PrecisionPtr precision_ptr);
43
44
45 /**
46 * @param strBuildParams string to build the filter
47 * "mzExclusion|0.02dalton"
48 */
49 FilterMzExclusion(const QString &strBuildParams);
50
51 /**
52 * Copy constructor
53 *
54 * @param other TODO
55 */
57
58 /**
59 * Destructor
60 */
61 virtual ~FilterMzExclusion();
62
63 QString name() const override;
64 QString toString() const override;
65
66 /**
67 * @brief get all the datapoints and remove different isotope and add their
68 * intensity and change to charge = 1 when the charge is known
69 * @return a list of datapoint
70 */
71 Trace &filter(Trace &data_points) const override;
72
73 private:
74 void buildFilterFromString(const QString &strBuildParams) override;
75 Trace removeTraceInExclusionMargin(Trace &points) const;
76
77
78 private:
80};
81} // namespace pappso
Interface that allows to build filter objects from strings.
A simple container of DataPoint instances.
Definition: trace.h:147
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39