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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 <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"