1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243
|
/* massXpert - the true massist's program.
--------------------------------------
Copyright(C) 2006,2007 Filippo Rusconi
http://www.massxpert.org/massXpert
This file is part of the massXpert project.
The massxpert project is the successor to the "GNU polyxmass"
project that is an official GNU project package(see
www.gnu.org). The massXpert project is not endorsed by the GNU
project, although it is released ---in its entirety--- under the
GNU General Public License. A huge part of the code in massXpert
is actually a C++ rewrite of code in GNU polyxmass. As such
massXpert was started at the Centre National de la Recherche
Scientifique(FRANCE), that granted me the formal authorization to
publish it under this Free Software License.
This software is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public
License version 3, as published by the Free Software Foundation.
This software is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with this software; if not, write to the
Free Software Foundation, Inc.,
51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA.
*/
/////////////////////// Local includes
#include "isotopicPeak.hpp"
namespace massXpert
{
//! Constructs an isotopic peak.
/*! All the parameters default to 0.
\param mass mass initializer. Defaults to 0. Cannot be negative.
\param abundance abundance initializer. Defaults to 0. Cannot be
negative.
\param probability probability. Defaults to 0. Cannot be
negative.
\param relIntensity relative intensity. Defaults to 0. Cannot be
negative.
*/
IsotopicPeak::IsotopicPeak(double mass, double abundance,
double probability, double relIntensity)
{
Q_ASSERT(mass >= 0);
Q_ASSERT(abundance >= 0);
Q_ASSERT(probability >= 0);
Q_ASSERT(relIntensity >= 0);
m_mass = mass;
m_abundance = abundance;
m_probability = probability;
m_relativeIntensity = relIntensity;
}
//! Constructs a copy of \p other.
/*!
\param other isotopic peak to be used as a mold.
*/
IsotopicPeak::IsotopicPeak(const IsotopicPeak &other)
: Isotope(other),
m_probability(other.m_probability),
m_relativeIntensity(other.m_relativeIntensity)
{
}
//! Creates a new isotopic peak.
/*! The newly created peak is initialized using \c this.
\return The new isotopic peak, which must be deleted when no longer in
use.
*/
IsotopicPeak *
IsotopicPeak::clone() const
{
IsotopicPeak *other = new IsotopicPeak(*this);
return other;
}
//! Modifies \p other to be identical to \p this.
/*! \param other isotopic peak.
*/
void
IsotopicPeak::clone(IsotopicPeak *other) const
{
Q_ASSERT(other);
if (other == this)
return;
Isotope::clone(other);
other->m_probability = m_probability;
other->m_relativeIntensity = m_relativeIntensity;
}
//! Modifies \p this to be identical to \p other.
/*! \param other isotope to be used as a mold.
*/
void
IsotopicPeak::mold(const IsotopicPeak &other)
{
if (&other == this)
return;
Isotope::mold(other);
m_probability = other.m_probability;
m_relativeIntensity = other.m_relativeIntensity;
}
//! Assigns other to \p this isotopic peak.
/*! \param other isotopic peak used as the mold to set values to \p
this instance.
\return a reference to \p this isotopic peak.
*/
IsotopicPeak &
IsotopicPeak::operator =(const IsotopicPeak &other)
{
if (&other != this)
mold(other);
return *this;
}
//! Sets the probability.
/*! \param value probability. Cannot be negative.
*/
void
IsotopicPeak::setProbability(double value)
{
Q_ASSERT(value >= 0);
m_probability = value;
}
//! Increments the probability.
/*! \param value value by which to increment the probability. Cannot
be negative.
*/
void
IsotopicPeak::incrementProbability(double value)
{
Q_ASSERT(value >= 0);
m_probability += value;
}
//! Returns the probability.
/*!
\return the probability.
*/
double
IsotopicPeak::probability() const
{
return m_probability;
}
//! Returns the probability as a string.
/*! The string is created by taking into account the locale passed as
argument. Check QLocale doc in case QLocale() is passed as argument.
\param locale locale used to construct the string.
\return the probability as a locale-complying string.
*/
QString
IsotopicPeak::probability(const QLocale &locale, int decimalPlaces) const
{
if (decimalPlaces < 0)
decimalPlaces = 0;
return locale.toString(m_probability, 'f', decimalPlaces);
}
//! Sets the relative intensity.
/*! \param value relative intensity. Cannot be negative.
*/
void
IsotopicPeak::setRelativeIntensity(double value)
{
Q_ASSERT(value >= 0);
m_relativeIntensity = value;
}
//! Returns the relative intensity.
/*! \return the relative intensity.
*/
double
IsotopicPeak::relativeIntensity() const
{
return m_relativeIntensity;
}
//! Returns the relative intensity as a string.
/*! The string is created by taking into account the locale passed as
argument. Check QLocale doc in case QLocale() is passed as argument.
\return the relative intensity as a string.
*/
QString
IsotopicPeak::relativeIntensity(const QLocale &locale,
int decimalPlaces) const
{
if (decimalPlaces < 0)
decimalPlaces = 0;
return locale.toString(m_relativeIntensity, 'f', decimalPlaces);
}
} // namespace massXpert
|