libpappsomspp
Library for mass spectrometry
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tracepeak.h
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1/*******************************************************************************
2 * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
3 *
4 * This file is part of the PAPPSOms++ library.
5 *
6 * PAPPSOms++ is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * PAPPSOms++ is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
18 *
19 * Contributors:
20 * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
21 *implementation
22 ******************************************************************************/
23
24#pragma once
25
26
27#include "../../exportinmportconfig.h"
28#include "../../trace/trace.h"
29#include "../../types.h"
30
31namespace pappso
32{
33
34class TracePeak;
35typedef std::shared_ptr<const TracePeak> TracePeakCstSPtr;
36
37/** @/brief Xic Peak stores peak boudaries detected from a Xic
38 * */
40{
41 public:
42 TracePeak();
43 /** @brief construct a peak given a trace, begin and end x coordinate
44 */
45 TracePeak(std::vector<DataPoint>::const_iterator it_begin,
46 std::vector<DataPoint>::const_iterator it_end);
47
48 /** @brief construct a peak given a trace, begin and end x coordinate
49 *
50 * @param it_begin begining of trace
51 * @param it_end end of trace
52 * @param remove_base if true, remove the base peak signal
53 */
54 TracePeak(std::vector<DataPoint>::const_iterator it_begin,
55 std::vector<DataPoint>::const_iterator it_end,
56 bool remove_base);
57 TracePeak(const TracePeak &other);
58 ~TracePeak();
59
60
61 TracePeakCstSPtr makeTracePeakCstSPtr() const;
62
63 DataPoint &getMaxXicElement();
64 const DataPoint &getMaxXicElement() const;
65 void setMaxXicElement(const DataPoint &max);
66
67 DataPoint &getLeftBoundary();
68 const DataPoint &getLeftBoundary() const;
69 void setLeftBoundary(const DataPoint &left);
70
71 DataPoint &getRightBoundary();
72 const DataPoint &getRightBoundary() const;
73 void setRightBoundary(const DataPoint &right);
74 pappso_double getArea() const;
75
76
77 void setArea(pappso_double area);
78
79 bool containsRt(pappso::pappso_double rt) const;
80
81
82 bool operator==(const TracePeak &other) const;
83
84 TracePeak &operator=(const TracePeak &other);
85
86
87 protected:
88 pappso_double m_area = 0;
92};
93
94
95} // namespace pappso
DataPoint m_left
Definition tracepeak.h:90
DataPoint m_max
Definition tracepeak.h:89
DataPoint m_right
Definition tracepeak.h:91
#define PMSPP_LIB_DECL
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
double pappso_double
A type definition for doubles.
Definition types.h:50
@ rt
Retention time.
bool operator==(Aa const &l, Aa const &r)
Definition aa.cpp:341
std::shared_ptr< const TracePeak > TracePeakCstSPtr
Definition tracepeak.h:35
@ max
maximum of intensities