libpappsomspp
Library for mass spectrometry
tracepeak.h
Go to the documentation of this file.
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 
31 namespace pappso
32 {
33 
34 class TracePeak;
35 typedef std::shared_ptr<const TracePeak> TracePeakCstSPtr;
36 
37 /** @/brief Xic Peak stores peak boudaries detected from a Xic
38  * */
39 class PMSPP_LIB_DECL TracePeak
40 {
41  protected:
42  pappso_double m_area = 0;
43  DataPoint m_max;
44  DataPoint m_left;
45  DataPoint m_right;
46 
47  public:
48  TracePeak();
49  /** @brief construct a peak given a trace, begin and end x coordinate
50  */
51  TracePeak(std::vector<DataPoint>::const_iterator it_begin,
52  std::vector<DataPoint>::const_iterator it_end);
53  TracePeak(const TracePeak &other);
54  ~TracePeak();
55 
56 
57  TracePeakCstSPtr makeTracePeakCstSPtr() const;
58 
59  DataPoint &getMaxXicElement();
60  const DataPoint &
61  getMaxXicElement() const
62  {
63  return m_max;
64  };
65  void setMaxXicElement(const DataPoint &max);
66 
67  DataPoint &getLeftBoundary();
68  const DataPoint &
69  getLeftBoundary() const
70  {
71  return m_left;
72  };
73  void setLeftBoundary(const DataPoint &left);
74 
75  DataPoint &getRightBoundary();
76  const DataPoint &getRightBoundary() const;
77  void setRightBoundary(const DataPoint &right);
78  pappso_double getArea() const;
79  void setArea(pappso_double area);
80 
81  bool containsRt(pappso::pappso_double rt) const;
82 
83 
84  bool
85  operator==(const TracePeak &other) const
86  {
87  return ((m_area == other.m_area) && (m_max == other.m_max) &&
88  (m_left == other.m_left) && (m_right == other.m_right));
89  };
90 };
91 
92 
93 } // namespace pappso
pappso::TracePeakCstSPtr
std::shared_ptr< const TracePeak > TracePeakCstSPtr
Definition: tracepeak.h:55
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition: types.h:69
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition: exportinmportconfig.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks
Definition: aa.cpp:39
pappso::operator==
bool operator==(Aa const &l, Aa const &r)
Definition: aa.cpp:300
pappso::DataPoint
Definition: datapoint.h:21
pappso::TracePeak::m_area
pappso_double m_area
Definition: tracepeak.h:63
pappso::TracePeak
Definition: tracepeak.h:61
pappso::TracePeak::m_right
DataPoint m_right
Definition: tracepeak.h:66
pappso::TracePeak::m_left
DataPoint m_left
Definition: tracepeak.h:65
pappso::TracePeak::m_max
DataPoint m_max
Definition: tracepeak.h:64