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Diffstat (limited to 'kalzium/src/molcalcwidget.cpp')
| -rw-r--r-- | kalzium/src/molcalcwidget.cpp | 153 |
1 files changed, 153 insertions, 0 deletions
diff --git a/kalzium/src/molcalcwidget.cpp b/kalzium/src/molcalcwidget.cpp new file mode 100644 index 00000000..c9947eda --- /dev/null +++ b/kalzium/src/molcalcwidget.cpp @@ -0,0 +1,153 @@ +/*************************************************************************** + * Copyright (C) 2003-2005 by Carsten Niehaus, [email protected] * + * Copyright (C) 2005 by Inge Wallin, [email protected] * + * * + * This program is free software; you can redistribute it and/or modify * + * it under the terms of the GNU General Public License as published by * + * the Free Software Foundation; either version 2 of the License, or * + * (at your option) any later version. * + * * + * This program 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 program; if not, write to the * + * Free Software Foundation, Inc., * + * 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. * + * * + ***************************************************************************/ + + +#include "molcalcwidget.h" + +#include "kalziumdataobject.h" +#include "molcalcwidgetbase.h" +#include "element.h" +#include "kalziumutils.h" +#include "parser.h" +#include "moleculeparser.h" + +#include <kaction.h> +#include <kdebug.h> +#include <klocale.h> +#include <kpushbutton.h> +#include <klineedit.h> +#include <ktoolbar.h> + +#include <qlabel.h> +#include <qlayout.h> +#include <qtooltip.h> + + +MolcalcWidget::MolcalcWidget( QWidget *parent, const char *name ) + : MolcalcWidgetBase( parent, name ) +{ + clear(); +} + + +void MolcalcWidget::clear() +{ + // Clear the data. + m_mass = 0; + m_elementMap.clear(); + + // Clear the widgets. + resultLabel->setText( "" ); + resultMass->setText( "" ); + + resultComposition->setText( i18n("To start, enter\na formula in the\nwidget above and\nclick on 'Calc'.") ); + + QToolTip::remove( resultMass ); + QToolTip::remove( resultComposition ); + QToolTip::remove( resultLabel ); +} + + +void MolcalcWidget::updateUI() +{ + if ( m_validInput ){ + + QString str; + + // The complexString stores the whole molecule like this: + // 1 Seaborgium. Cumulative Mass: 263.119 u (39.2564 %) + QString complexString; + + // Create the list of elements making up the molecule + ElementCountMap::Iterator it = m_elementMap.begin(); + ElementCountMap::Iterator itEnd = m_elementMap.end(); + for ( ; it != itEnd; ++it ) { + // Update the resultLabel + str += i18n( "For example: \"1 Carbon\" or \"3 Oxygen\"", "%1 %2\n" ) + .arg( (*it)->count() ) + .arg( (*it)->element()->elname() ); + + complexString + += i18n( "For example: 1 Seaborgium. Cumulative Mass: 263.119 u (39.25%)", + "%1 %2. Cumulative Mass: %3 u (%4%)\n" ) + .arg( (*it)->count() ) + .arg( (*it)->element()->elname() ) + .arg( (*it)->count() * (*it)->element()->mass() ) + .arg( KalziumUtils::strippedValue( (( (*it)->count() * (*it)->element()->mass() ) + / m_mass ) * 100 ) ); + } + resultLabel->setText( str ); + + // The composition + resultComposition->setText( compositionString(m_elementMap) ); + + // The mass + resultMass->setText( i18n( "Molecular mass: %1 u" ).arg( m_mass ) ); + + QToolTip::add( resultMass, complexString ); + QToolTip::add( resultComposition, complexString ); + QToolTip::add( resultLabel, complexString ); + } + else{//the input was invalid, so tell this the user + resultComposition->setText( i18n( "Invalid input" ) ); + resultLabel->setText( QString() ); + resultMass->setText( QString() ); + + QToolTip::add( resultMass, i18n( "Invalid input" ) ); + QToolTip::add( resultComposition, i18n( "Invalid input" ) ); + QToolTip::add( resultLabel, i18n( "Invalid input" ) ); + } +} + + +QString MolcalcWidget::compositionString( ElementCountMap &_map ) +{ + QString str; + + ElementCountMap::Iterator it = _map.begin(); + ElementCountMap::Iterator itEnd = _map.end(); + for (; it != itEnd; ++it) { + str += i18n( "%1<sub>%2</sub> " ) + .arg( (*it)->element()->symbol() ) + .arg( (*it)->count() ); + } + + return str; +} + + +// ---------------------------------------------------------------- +// slots + + +void MolcalcWidget::slotCalcButtonClicked() +{ + QString molecule = formulaEdit->text(); + + // Parse the molecule, and at the same time calculate the total + // mass, and the composition of it. + m_validInput = m_parser.weight(molecule, &m_mass, &m_elementMap); + + updateUI(); +} + + +#include "molcalcwidget.moc" |