| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | /* BEGIN software license | ||
| 2 | * | ||
| 3 | * MsXpertSuite - mass spectrometry software suite | ||
| 4 | * ----------------------------------------------- | ||
| 5 | * Copyright(C) 2009,...,2018 Filippo Rusconi | ||
| 6 | * | ||
| 7 | * http://www.msxpertsuite.org | ||
| 8 | * | ||
| 9 | * This file is part of the MsXpertSuite project. | ||
| 10 | * | ||
| 11 | * The MsXpertSuite project is the successor of the massXpert project. This | ||
| 12 | * project now includes various independent modules: | ||
| 13 | * | ||
| 14 | * - massXpert, model polymer chemistries and simulate mass spectrometric data; | ||
| 15 | * - mineXpert, a powerful TIC chromatogram/mass spectrum viewer/miner; | ||
| 16 | * | ||
| 17 | * This program is free software: you can redistribute it and/or modify | ||
| 18 | * it under the terms of the GNU General Public License as published by | ||
| 19 | * the Free Software Foundation, either version 3 of the License, or | ||
| 20 | * (at your option) any later version. | ||
| 21 | * | ||
| 22 | * This program is distributed in the hope that it will be useful, | ||
| 23 | * but WITHOUT ANY WARRANTY; without even the implied warranty of | ||
| 24 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the | ||
| 25 | * GNU General Public License for more details. | ||
| 26 | * | ||
| 27 | * You should have received a copy of the GNU General Public License | ||
| 28 | * along with this program. If not, see <http://www.gnu.org/licenses/>. | ||
| 29 | * | ||
| 30 | * END software license | ||
| 31 | */ | ||
| 32 | |||
| 33 | |||
| 34 | /////////////////////// Local includes | ||
| 35 | #include "PeakCentroid.hpp" | ||
| 36 | #include <ctime> | ||
| 37 | |||
| 38 | |||
| 39 | namespace MsXpS | ||
| 40 | { | ||
| 41 | |||
| 42 | namespace libXpertMass | ||
| 43 | { | ||
| 44 | |||
| 45 | |||
| 46 | ✗ | PeakCentroid::PeakCentroid(double mz, double intensity) | |
| 47 | { | ||
| 48 | ✗ | Q_ASSERT(mz >= 0); | |
| 49 | ✗ | Q_ASSERT(intensity >= 0); | |
| 50 | |||
| 51 | ✗ | m_mz = mz; | |
| 52 | ✗ | m_intensity = intensity; | |
| 53 | ✗ | } | |
| 54 | |||
| 55 | ✗ | PeakCentroid::PeakCentroid() : m_mz(0), m_intensity(0) | |
| 56 | { | ||
| 57 | ✗ | } | |
| 58 | |||
| 59 | |||
| 60 | ✗ | PeakCentroid::PeakCentroid(const PeakCentroid &other) | |
| 61 | ✗ | : m_mz(other.m_mz), m_intensity(other.m_intensity) | |
| 62 | { | ||
| 63 | ✗ | } | |
| 64 | |||
| 65 | |||
| 66 | ✗ | PeakCentroid::~PeakCentroid() | |
| 67 | { | ||
| 68 | ✗ | } | |
| 69 | |||
| 70 | |||
| 71 | PeakCentroid & | ||
| 72 | ✗ | PeakCentroid::operator=(const PeakCentroid &other) | |
| 73 | { | ||
| 74 | ✗ | if(&other == this) | |
| 75 | ✗ | return *this; | |
| 76 | |||
| 77 | ✗ | m_mz = other.m_mz; | |
| 78 | ✗ | m_intensity = other.m_intensity; | |
| 79 | |||
| 80 | ✗ | return *this; | |
| 81 | } | ||
| 82 | |||
| 83 | bool | ||
| 84 | ✗ | PeakCentroid::operator==(const PeakCentroid &other) | |
| 85 | { | ||
| 86 | ✗ | return (m_mz == other.m_mz && m_intensity == other.m_intensity); | |
| 87 | } | ||
| 88 | |||
| 89 | bool | ||
| 90 | ✗ | PeakCentroid::operator!=(const PeakCentroid &other) | |
| 91 | { | ||
| 92 | ✗ | return (m_mz != other.m_mz || m_intensity != other.m_intensity); | |
| 93 | } | ||
| 94 | |||
| 95 | void | ||
| 96 | ✗ | PeakCentroid::setMz(double value) | |
| 97 | { | ||
| 98 | ✗ | m_mz = value; | |
| 99 | ✗ | } | |
| 100 | |||
| 101 | |||
| 102 | double | ||
| 103 | ✗ | PeakCentroid::mz() const | |
| 104 | { | ||
| 105 | ✗ | return m_mz; | |
| 106 | } | ||
| 107 | |||
| 108 | |||
| 109 | void | ||
| 110 | ✗ | PeakCentroid::setIntensity(double value) | |
| 111 | { | ||
| 112 | ✗ | Q_ASSERT(value >= 0); | |
| 113 | |||
| 114 | ✗ | m_intensity = value; | |
| 115 | ✗ | } | |
| 116 | |||
| 117 | |||
| 118 | void | ||
| 119 | ✗ | PeakCentroid::incrementIntensity(double value) | |
| 120 | { | ||
| 121 | ✗ | Q_ASSERT(value >= 0); | |
| 122 | |||
| 123 | ✗ | m_intensity += value; | |
| 124 | ✗ | } | |
| 125 | |||
| 126 | |||
| 127 | double | ||
| 128 | ✗ | PeakCentroid::intensity() const | |
| 129 | { | ||
| 130 | ✗ | return m_intensity; | |
| 131 | } | ||
| 132 | |||
| 133 | |||
| 134 | QString | ||
| 135 | ✗ | PeakCentroid::intensity(int decimalPlaces) const | |
| 136 | { | ||
| 137 | ✗ | if(decimalPlaces < 0) | |
| 138 | ✗ | decimalPlaces = 0; | |
| 139 | |||
| 140 | ✗ | QString prob; | |
| 141 | |||
| 142 | ✗ | prob.setNum(m_intensity, 'f', decimalPlaces); | |
| 143 | |||
| 144 | ✗ | return prob; | |
| 145 | ✗ | } | |
| 146 | |||
| 147 | |||
| 148 | QString | ||
| 149 | ✗ | PeakCentroid::toString() const | |
| 150 | { | ||
| 151 | ✗ | QString text = QString("m/z: %1, int: %2)\n").arg(m_mz).arg(m_intensity); | |
| 152 | |||
| 153 | ✗ | return text; | |
| 154 | } | ||
| 155 | |||
| 156 | |||
| 157 | } // namespace libXpertMass | ||
| 158 | |||
| 159 | } // namespace MsXpS | ||
| 160 |