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154 lines
4.8 KiB
154 lines
4.8 KiB
/***************************************************************************
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* Copyright (C) 2003-2005 by Carsten Niehaus, cniehaus@kde.org *
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* Copyright (C) 2005 by Inge Wallin, inge@lysator.liu.se *
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* *
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* This program is free software; you can redistribute it and/or modify *
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* it under the terms of the GNU General Public License as published by *
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* the Free Software Foundation; either version 2 of the License, or *
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* (at your option) any later version. *
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* *
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* This program is distributed in the hope that it will be useful, *
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* but WITHOUT ANY WARRANTY; without even the implied warranty of *
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
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* GNU General Public License for more details. *
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* *
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* You should have received a copy of the GNU General Public License *
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* along with this program; if not, write to the *
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* Free Software Foundation, Inc., *
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* 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. *
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* *
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***************************************************************************/
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#include "molcalcwidget.h"
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#include "kalziumdataobject.h"
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#include "molcalcwidgetbase.h"
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#include "element.h"
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#include "kalziumutils.h"
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#include "parser.h"
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#include "moleculeparser.h"
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#include <tdeaction.h>
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#include <kdebug.h>
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#include <klocale.h>
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#include <kpushbutton.h>
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#include <klineedit.h>
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#include <tdetoolbar.h>
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#include <tqlabel.h>
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#include <tqlayout.h>
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#include <tqtooltip.h>
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MolcalcWidget::MolcalcWidget( TQWidget *parent, const char *name )
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: MolcalcWidgetBase( parent, name )
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{
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clear();
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}
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void MolcalcWidget::clear()
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{
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// Clear the data.
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m_mass = 0;
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m_elementMap.clear();
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// Clear the widgets.
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resultLabel->setText( "" );
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resultMass->setText( "" );
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resultComposition->setText( i18n("To start, enter\na formula in the\nwidget above and\nclick on 'Calc'.") );
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TQToolTip::remove( resultMass );
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TQToolTip::remove( resultComposition );
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TQToolTip::remove( resultLabel );
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}
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void MolcalcWidget::updateUI()
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{
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if ( m_validInput ){
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TQString str;
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// The complexString stores the whole molecule like this:
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// 1 Seaborgium. Cumulative Mass: 263.119 u (39.2564 %)
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TQString complexString;
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// Create the list of elements making up the molecule
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ElementCountMap::Iterator it = m_elementMap.begin();
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ElementCountMap::Iterator itEnd = m_elementMap.end();
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for ( ; it != itEnd; ++it ) {
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// Update the resultLabel
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str += i18n( "For example: \"1 Carbon\" or \"3 Oxygen\"", "%1 %2\n" )
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.arg( (*it)->count() )
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.arg( (*it)->element()->elname() );
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complexString
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+= i18n( "For example: 1 Seaborgium. Cumulative Mass: 263.119 u (39.25%)",
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"%1 %2. Cumulative Mass: %3 u (%4%)\n" )
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.arg( (*it)->count() )
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.arg( (*it)->element()->elname() )
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.arg( (*it)->count() * (*it)->element()->mass() )
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.arg( KalziumUtils::strippedValue( (( (*it)->count() * (*it)->element()->mass() )
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/ m_mass ) * 100 ) );
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}
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resultLabel->setText( str );
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// The composition
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resultComposition->setText( compositionString(m_elementMap) );
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// The mass
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resultMass->setText( i18n( "Molecular mass: %1 u" ).arg( m_mass ) );
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TQToolTip::add( resultMass, complexString );
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TQToolTip::add( resultComposition, complexString );
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TQToolTip::add( resultLabel, complexString );
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}
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else{//the input was invalid, so tell this the user
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resultComposition->setText( i18n( "Invalid input" ) );
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resultLabel->setText( TQString() );
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resultMass->setText( TQString() );
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TQToolTip::add( resultMass, i18n( "Invalid input" ) );
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TQToolTip::add( resultComposition, i18n( "Invalid input" ) );
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TQToolTip::add( resultLabel, i18n( "Invalid input" ) );
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}
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}
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TQString MolcalcWidget::compositionString( ElementCountMap &_map )
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{
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TQString str;
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ElementCountMap::Iterator it = _map.begin();
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ElementCountMap::Iterator itEnd = _map.end();
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for (; it != itEnd; ++it) {
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str += i18n( "%1<sub>%2</sub> " )
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.arg( (*it)->element()->symbol() )
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.arg( (*it)->count() );
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}
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return str;
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}
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// ----------------------------------------------------------------
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// slots
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void MolcalcWidget::slotCalcButtonClicked()
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{
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TQString molecule = formulaEdit->text();
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// Parse the molecule, and at the same time calculate the total
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// mass, and the composition of it.
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m_validInput = m_parser.weight(molecule, &m_mass, &m_elementMap);
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updateUI();
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}
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#include "molcalcwidget.moc"
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