/*************************************************************************** * 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 <tdeaction.h> #include <kdebug.h> #include <tdelocale.h> #include <kpushbutton.h> #include <klineedit.h> #include <tdetoolbar.h> #include <tqlabel.h> #include <tqlayout.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"