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
38namespace 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
74 : m_mz(other.m_mz), m_delta(other.m_delta)
75{
76 // std::cout << "MzRange::MzRange (const MzRange & other)" << std::endl;
77}
78
79
81{
82}
83
84
85MzRange &
87{
88 m_mz = other.m_mz;
89 m_delta = other.m_delta;
90
91 return *this;
92}
93
94
95MzRange &
97{
98 m_mz += other.m_mz;
99 m_delta += other.m_delta;
100
101 return *this;
102}
103
104MzRange &
106{
107 m_mz *= number;
108 m_delta *= number;
109
110 return *this;
111}
112
115{
116 return m_mz;
117}
118
119bool
121{
122 // qDebug() << " " << std::abs(mz - m_mz) << " m_delta:" << m_delta;
123 if(std::abs(mz - m_mz) <= m_delta)
124 {
125 return true;
126 }
127 return false;
128}
129
130QString
132{
133 // QString s = "mz=" + QString::number(m_mz) + " delta=" +
134 // QString::number(m_delta);
135 return QString("mz=%1 delta=%2 : %3 < %4 < %5")
136 .arg(m_mz)
137 .arg(m_delta)
138 .arg(lower())
139 .arg(m_mz)
140 .arg(upper());
141}
142
143} // namespace pappso
pappso_double getMz() const
Definition: mzrange.cpp:114
MzRange & operator+=(const MzRange &other)
Definition: mzrange.cpp:96
QString toString() const
Definition: mzrange.cpp:131
MzRange & operator=(const MzRange &other)
Definition: mzrange.cpp:86
pappso_double lower() const
Definition: mzrange.h:71
virtual ~MzRange()
Definition: mzrange.cpp:80
MzRange(pappso_double mz, PrecisionPtr precision)
Definition: mzrange.cpp:43
pappso_double upper() const
Definition: mzrange.h:77
MzRange & operator*=(double number)
Definition: mzrange.cpp:105
pappso_double m_delta
Definition: mzrange.h:85
pappso_double m_mz
Definition: mzrange.h:84
bool contains(pappso_double) const
Definition: mzrange.cpp:120
virtual pappso_double delta(pappso_double value) const =0
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:48