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/* 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.
*/
/////////////////////// Qt includes
#include <QtGlobal>
/////////////////////// Local includes
#include "ponderable.hpp"
namespace massXpert
{
//! Constructs a ponderable initialized with masses.
/*! Both the \p mono and \p avg masses default to 0.
\param mono monoisotopic mass initializer. Defaults to 0.
\param avg average mass initializer. Defaults to 0.
*/
Ponderable::Ponderable(double mono, double avg)
{
m_mono = mono; m_avg = avg;
}
//! Constructs a copy of \p other.
/*! The copying is shallow, as the property list is not used for the
initialization of the constructed ponderable.
\param other ponderable to be used as a mold.
*/
Ponderable::Ponderable(const Ponderable &other)
: m_mono(other.m_mono), m_avg(other.m_avg)
{
}
//! Destroys the ponderable.
Ponderable::~Ponderable()
{
}
//! Creates a new ponderable and initializes it with the data in this.
/*! The initialization is shallow, as the prop list is not used to
perform the initialization.
\return the newly allocated ponderable which must be deleted when no
longer in use.
*/
Ponderable *
Ponderable::clone() const
{
Ponderable *other = new Ponderable(*this);
return other;
}
//! Modifies \p other to be identical to \p this.
/*! The copying of the data is shallow as the data in the prop
list are not copied.
\param other ponderable.
*/
void
Ponderable::clone(Ponderable *other) const
{
Q_ASSERT(other);
if (other == this)
return;
other->m_mono = m_mono;
other->m_avg = m_avg;
}
//! Modifies \p this to be identical to \p other.
/*! The copying of the data is shallow as the data in the prop
list are not copied.
\param other ponderable to be used as a mold.
*/
void
Ponderable::mold(const Ponderable &other)
{
if (&other == this)
return;
m_mono = other.m_mono;
m_avg = other.m_avg;
}
//! Assigns other to \p this ponderable.
/*! This is a shallow assignment as the data in the prop list are
not copied.
\param other ponderable used as the mold to set values to \p this
instance.
\return a reference to \p this ponderable.
*/
Ponderable &
Ponderable::operator =(const Ponderable &other)
{
if (&other != this)
mold(other);
return *this;
}
//! Sets the monoisotopic and average masses.
/*! No check is performed as to the sign of the values passed as
parameters.
\param mono monoisotopic initializer.
\param avg average initializer.
*/
void
Ponderable::setMasses(double mono, double avg)
{
m_mono = mono;
m_avg = avg;
}
void
Ponderable::setMass(double mass, MassType type)
{
if (type & MXT_MASS_MONO)
m_mono = mass;
else if (type & MXT_MASS_AVG)
m_avg = mass;
return;
}
void
Ponderable::incrementMass(double mass, MassType type)
{
if (type & MXT_MASS_MONO)
m_mono += mass;
else if (type & MXT_MASS_AVG)
m_avg += mass;
return;
}
//! Updates the arguments with the monoisotopic and average masses.
/*! Any argument might be a 0 pointer, in which case the function does
update it.
\param mono receives the monoisotopic mass. If 0, no updating will
take place.
\param avg receives the average mass. If 0, no updating will take
place.
*/
void
Ponderable::masses(double *mono, double *avg) const
{
Q_ASSERT(mono && avg);
*mono = m_mono;
*avg = m_avg;
}
double
Ponderable::mass(MassType type) const
{
if (type == MXT_MASS_MONO)
return m_mono;
return m_avg;
}
//! Clears the monoisotopic and average masses by setting both to 0.
void
Ponderable::clearMasses()
{
m_mono = 0.0;
m_avg = 0.0;
}
//! Sets the monoisotopic mass to \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass new monoisotopic mass.
*/
void
Ponderable::setMono(double mass)
{
m_mono = mass;
}
//! Sets the monoisotopic mass to \p mass.
/*! Conversion from string to double is performed by using the locale
conversion rule for \p locale.
\param mass new monoisotopic mass in string form.
\param locale QLocale to be used for the conversion to double
\return true if the conversion succeeded, false otherwise; in which
case the mono mass of this ponderable is not modified.
*/
bool
Ponderable::setMono(const QString &mass, const QLocale &locale)
{
bool ok = false;
double value = locale.toDouble(mass, &ok);
if (!ok)
return false;
m_mono = value;
return true;
}
//! Increments the monoisotopic mass by \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass value by which the monoisotopic mass is incremented. If
that value is negative, the mass will actually be decremented.
*/
void
Ponderable::incrementMono(double mass)
{
m_mono += mass;
}
//! Decrements the monoisotopic mass by \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass value by which the monoisotopic mass is decremented. If
that value is negative, the mass will actually be incremented.
*/
void
Ponderable::decrementMono(double mass)
{
m_mono -= mass;
}
//! Returns the monoisotopic mass.
/*! \return the monoisotopic mass.
*/
double
Ponderable::mono() const
{
return m_mono;
}
//! Returns a reference to the monoisotopic mass.
/*! The monoisotopic mass is returned as a modifiable reference.
\return the monoisotopic mass.
*/
double &
Ponderable::rmono()
{
return m_mono;
}
//! Returns the monoisotopic mass 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 monoisotopic mass as a locale-complying string.
*/
QString
Ponderable::mono(const QLocale &locale, int decimalPlaces) const
{
if (decimalPlaces < 0)
decimalPlaces = 0;
QString mass;
mass = locale.toString(m_mono, 'f', decimalPlaces);
return mass;
}
//! Sets the average mass to \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass new average mass.
*/
void
Ponderable::setAvg(double mass)
{
m_avg = mass;
}
//! Sets the average mass to \p mass.
/*! Conversion from string to double is performed by using the locale
conversion rule for \p locale.
\param mass new average mass in string form.
\param locale QLocale to be used for the conversion to double
\return true if the conversion succeeded, false otherwise; in which
case the avg mass of this ponderable is not modified.
*/
bool
Ponderable::setAvg(const QString &mass, const QLocale &locale)
{
bool ok = false;
double value = locale.toDouble(mass, &ok);
if (!ok)
return false;
m_avg = value;
return true;
}
//! Increments the average mass by \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass value by which the average mass is incremented. If that
value is negative, the mass will actually be decremented.
*/
void
Ponderable::incrementAvg(double mass)
{
m_avg += mass;
}
//! Decrements the average mass by \p mass.
/*! No check is performed as to the sign of the value passed as
parameter.
\param mass value by which the average mass is decremented. If that
value is negative, the mass will actually be incremented.
*/
void
Ponderable::decrementAvg(double mass)
{
m_avg -= mass;
}
//! Returns the average mass.
/*! \return the average mass.
*/
double
Ponderable::avg() const
{
return m_avg;
}
//! Returns a reference to the average mass.
/*! The average mass is returned as a modifiable reference.
\return the average mass.
*/
double &
Ponderable::ravg()
{
return m_avg;
}
//! Returns the average mass as a string.
/*! The string is created by taking into account the locale passed as
parameter. Check QLocale doc in case QLocale() is passed as argument.
\param locale locale used to construct the string.
\return the average mass as a locale-complying string.
*/
QString
Ponderable::avg(const QLocale &locale, int decimalPlaces) const
{
if (decimalPlaces < 0)
decimalPlaces = 0;
QString mass;
mass = locale.toString(m_avg, 'f', decimalPlaces);
return mass;
}
//! Equality operator.
/*! Test the equality between \p other and \c this. The properties of
the ponderables involved are not tested.
\param other Ponderable to be compared to \c this.
\return true if \p other and \c this are identical, false otherwise.
*/
bool
Ponderable::operator ==(const Ponderable &other) const
{
if (m_mono == other.m_mono && m_avg == other.m_avg)
return true;
return false;
}
//! Inquality operator.
/*! Test the inequality between \p other and \c this. The properties of
the ponderables involved are not tested.
\param other Ponderable to be compared to \c this.
\return true if \p other and \c this differ, false otherwise.
*/
bool
Ponderable::operator !=(const Ponderable &other) const
{
if (m_mono != other.m_mono || m_avg != other.m_avg)
return true;
return false;
}
//! Calculates the monoisotopic and average masses.
/*! Virtual function that should be re-implemented in derived classes
so as to compute the monoisotopic and average masses for the
ponderable entity. This function does actually nothing.
\return always true.
*/
bool
Ponderable::calculateMasses()
{
return true;
}
//! Increments the masses in the arguments.
/*! The masses pointed at by the arguments \p mono and \p avg are
incremented by the monoisotopic and average masses. The incrementing
is performed \p times times.
\param mono monoisotopic mass to be incremented. If 0, no
modification is performed.
\param avg average mass that should be incremented. If 0, no
modification is performed.
\param times integer indicating the number of times the operations
must be performed.
\return true if calculation succeeded, false otherwise.
*/
bool
Ponderable::accountMasses(double *mono, double *avg, int times) const
{
if (mono)
*mono += m_mono * times;
if (avg)
*avg += m_avg * times;
return true;
}
} // namespace massXpert
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