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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.
*/
/////////////////////// Local includes
#include "globals.hpp"
#include "massList.hpp"
namespace massXpert
{
MassList::MassList(QString name, const QLocale &locale)
{
m_name = name;
m_locale = locale;
}
MassList::MassList(QString name,
const QString &text,
const QLocale &locale)
{
m_name = name;
m_massText = text;
m_locale = locale;
}
MassList::MassList(QString name,
const QStringList & stringList,
const QLocale &locale)
{
m_name = name;
m_locale = locale;
if (!stringList.isEmpty())
m_massStringList = stringList;
}
MassList::MassList(QString name,
const QList <double> &doubleList,
const QLocale &locale)
{
m_name = name;
m_locale = locale;
QListIterator<double> iter(doubleList);
while(iter.hasNext())
{
m_massList.append(iter.next());
}
}
MassList::~MassList()
{
}
MassList::MassList(const MassList &other)
: m_name(other.m_name), m_comment(other.m_comment),
m_locale(other.m_locale),
m_massText(other.m_massText), m_massStringList(other.m_massStringList)
{
QListIterator<double> iter(other.m_massList);
while(iter.hasNext())
{
m_massList.append(iter.next());
}
}
MassList *
MassList::clone() const
{
MassList *other = new MassList(*this);
return other;
}
void
MassList::clone(MassList *other) const
{
Q_ASSERT(other);
if (other == this)
return;
other->m_name = m_name;
other->m_comment = m_comment;
other->m_locale = m_locale;
other->m_massText = m_massText;
other->m_massStringList = m_massStringList;
other->m_massList.clear();
QListIterator<double> iter(m_massList);
while(iter.hasNext())
{
other->m_massList.append(iter.next());
}
}
void
MassList::mold(const MassList &other)
{
if (&other == this)
return;
m_name = other.m_name;
m_comment = other.m_comment;
m_locale = other.m_locale;
m_massText = other.m_massText;
m_massStringList = other.m_massStringList;
m_massList.clear();
QListIterator<double> iter(other.m_massList);
while(iter.hasNext())
{
m_massList.append(iter.next());
}
}
MassList &
MassList::operator =(const MassList &other)
{
if (&other != this)
mold(other);
return *this;
}
//! Sets the name.
/*! \param name new name.
*/
void
MassList::setName(QString name)
{
if (!name.isEmpty())
m_name = name;
}
QString
MassList::name()
{
return m_name;
}
//! Sets the comment.
/*! \param comment new comment.
*/
void
MassList::setComment(QString comment)
{
if (!comment.isEmpty())
m_comment = comment;
}
const QString &
MassList::comment() const
{
return m_comment;
}
void
MassList::setLocale(const QLocale &locale)
{
m_locale = locale;
}
int
MassList::size() const
{
return m_massList.size();
}
const QList <double> &
MassList::massList() const
{
return m_massList;
}
double
MassList::at(int index) const
{
Q_ASSERT(index >= 0 && index < m_massList.size());
return m_massList.at(index);
}
const QString &
MassList::massText() const
{
return m_massText;
}
int
MassList::makeMassList()
{
if (m_massText.isEmpty())
return 0;
QStringList errorList;
m_massStringList = m_massText.split(QRegExp("\n"),
QString::SkipEmptyParts);
for (int iter = 0; iter < m_massStringList.size(); ++iter)
{
bool ok = false;
double value = m_locale.toDouble(m_massStringList.at(iter), &ok);
if(!value && !ok)
{
errorList.append(m_massStringList.at(iter));
}
m_massList.append(value);
}
// Because there was text, if an error occurred, then output the
// error list and return -1.
if (!errorList.isEmpty())
{
qDebug() << __FILE__ << __LINE__
<< "Error list:" << errorList;
return -1;
}
else
return m_massList.size();
}
int
MassList::makeMassText()
{
m_massText.clear();
for (int iter = 0; iter < m_massList.size(); ++iter)
{
QString mass =
m_locale.toString(m_massList.at(iter), 'f', MXP_OLIGOMER_DEC_PLACES);
m_massText.append(mass + "\n");
}
return m_massText.size();
}
void
MassList::sortAscending()
{
qSort(m_massList.begin(), m_massList.end());
}
void
MassList::sortDescending()
{
qSort(m_massList.begin(), m_massList.end(), qGreater<double>());
}
void
MassList::applyMass(double mass)
{
for (int iter = 0; iter < m_massList.size(); ++iter)
{
double value = m_massList.at(iter) + mass;
m_massList.replace(iter, value);
}
}
void
MassList::removeLessThan(double mass)
{
QMutableListIterator<double> iter(m_massList);
while(iter.hasNext())
{
double value = iter.next();
if(value < mass)
{
iter.remove();
}
}
}
} // namespace massXpert
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