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/***************************************************************************
* Copyright (C) 2003-2005 by Carsten Niehaus, cniehaus@kde.org *
* Copyright (C) 2005 by Inge Wallin, inge@lysator.liu.se *
* *
* 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 <tqlabel.h>
#include <layout.h>
#include <tqtooltip.h>
MolcalcWidget::MolcalcWidget( TQWidget *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'.") );
TQToolTip::remove( resultMass );
TQToolTip::remove( resultComposition );
TQToolTip::remove( resultLabel );
}
void MolcalcWidget::updateUI()
{
if ( m_validInput ){
TQString str;
// The complexString stores the whole molecule like this:
// 1 Seaborgium. Cumulative Mass: 263.119 u (39.2564 %)
TQString 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 ) );
TQToolTip::add( resultMass, complexString );
TQToolTip::add( resultComposition, complexString );
TQToolTip::add( resultLabel, complexString );
}
else{//the input was invalid, so tell this the user
resultComposition->setText( i18n( "Invalid input" ) );
resultLabel->setText( TQString() );
resultMass->setText( TQString() );
TQToolTip::add( resultMass, i18n( "Invalid input" ) );
TQToolTip::add( resultComposition, i18n( "Invalid input" ) );
TQToolTip::add( resultLabel, i18n( "Invalid input" ) );
}
}
TQString MolcalcWidget::compositionString( ElementCountMap &_map )
{
TQString 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()
{
TQString 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"
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