libpappsomspp
Library for mass spectrometry
mzrange.cpp
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1 /**
2  * \file pappsomspp/mass_range.cpp
3  * \date 4/3/2015
4  * \author Olivier Langella
5  * \brief object to handle a mass range (an mz value + or - some delta)
6  */
7 
8 /*******************************************************************************
9  * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.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  * Contributors:
27  * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
28  *implementation
29  ******************************************************************************/
30 
31 #include "mzrange.h"
33 #include <QStringList>
34 #include <cmath>
35 #include <QDebug>
36 
37 
38 namespace pappso
39 {
40 
41 /// Constructs MzRange object using 1 precision (the same for lower or upper
42 /// range).
44  : m_mz(mz), m_delta(precision->delta(m_mz))
45 {
46 }
47 
48 
49 //! Construct a MzRange object with \p mz and \p delta
50 /*!
51  *
52  * \p delta should be construed as the whole tolerance such that \c lower()
53  * returns \c m_mz - \c m_delta and \c upper() returns \c m_mz + \c m_delta.
54  *
55  */
57  : m_mz(mz), m_delta(delta)
58 {
59 }
60 
61 
62 /// Constructs MzRange object using 2 different precisions: lower and upper.
64  PrecisionPtr precision_lower,
65  PrecisionPtr precision_upper)
66 {
67 
68  m_delta = (precision_lower->delta(mz) + precision_upper->delta(mz)) / 2;
69  m_mz = mz - precision_lower->delta(mz) + m_delta;
70 }
71 
72 
73 MzRange::MzRange(const MzRange &other)
74  : m_mz(other.m_mz), m_delta(other.m_delta)
75 {
76  // std::cout << "MzRange::MzRange (const MzRange & other)" << endl;
77 }
78 
79 
81 {
82 }
83 
84 
85 MzRange &
86 MzRange::operator=(const MzRange &other)
87 {
88  m_mz = other.m_mz;
89  m_delta = other.m_delta;
90 
91  return *this;
92 }
93 
94 
96 MzRange::getMz() const
97 {
98  return m_mz;
99 }
100 
101 bool
103 {
104  // qDebug() << " " << std::abs(mz - m_mz) << " m_delta:" << m_delta;
105  if(std::abs(mz - m_mz) <= m_delta)
106  {
107  return true;
108  }
109  return false;
110 }
111 
112 QString
113 MzRange::toString() const
114 {
115  // QString s = "mz=" + QString::number(m_mz) + " delta=" +
116  // QString::number(m_delta);
117  return QString("mz=%1 delta=%2 : %3 < %4 < %5")
118  .arg(m_mz)
119  .arg(m_delta)
120  .arg(lower())
121  .arg(m_mz)
122  .arg(upper());
123 }
124 
125 } // namespace pappso
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition: types.h:69
pappso::MzRange::lower
pappso_double lower() const
Definition: mzrange.h:114
pappso::MzRange::toString
QString toString() const
Definition: mzrange.cpp:134
pappso::MzRange::upper
pappso_double upper() const
Definition: mzrange.h:120
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition: aa.cpp:39
pappso::MzRange::operator=
MzRange & operator=(const MzRange &other)
Definition: mzrange.cpp:107
pappso::MzRange::m_delta
pappso_double m_delta
Definition: mzrange.h:91
pappso::MzRange::contains
bool contains(pappso_double) const
Definition: mzrange.cpp:123
pappso::MzRange
Definition: mzrange.h:67
pappso::MzRange::m_mz
pappso_double m_mz
Definition: mzrange.h:90
pappso::MzRange::MzRange
MzRange(pappso_double mz, PrecisionPtr precision)
Definition: mzrange.cpp:64
pappso::PrecisionPtr
const PrecisionBase * PrecisionPtr
Definition: precision.h:143
pappso::MzRange::~MzRange
virtual ~MzRange()
Definition: mzrange.cpp:101
pappso::PrecisionBase::delta
virtual pappso_double delta(pappso_double value) const =0
pappso::PrecisionBase
Definition: precision.h:65
pappso::MzRange::getMz
pappso_double getMz() const
Definition: mzrange.cpp:117
mzrange.h
pappso::PrecisionUnit::mz
@ mz
exceptionnotpossible.h