kalzium/src/molcalcwidget.cpp

   1 /***************************************************************************
   2  *   Copyright (C) 2003-2005, 2006 by Carsten Niehaus, cniehaus@kde.org    *
   3  *   Copyright (C) 2005      by Inge Wallin,     inge@lysator.liu.se       *
   4  *                                                                         *
   5  *   This program is free software; you can redistribute it and/or modify  *
   6  *   it under the terms of the GNU General Public License as published by  *
   7  *   the Free Software Foundation; either version 2 of the License, or     *
   8  *   (at your option) any later version.                                   *
   9  *                                                                         *
  10  *   This program is distributed in the hope that it will be useful,       *
  11  *   but WITHOUT ANY WARRANTY; without even the implied warranty of        *
  12  *   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the         *
  13  *   GNU General Public License for more details.                          *
  14  *                                                                         *
  15  *   You should have received a copy of the GNU General Public License     *
  16  *   along with this program; if not, write to the                         *
  17  *   Free Software Foundation, Inc.,                                       *
  18  *   51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.          *
  19  *                                                                         *
  20  ***************************************************************************/
  21
  22 #include "molcalcwidget.h"
  23
  24 //libscience
  25 #include <element.h>
  26
  27 #include "kalziumdataobject.h"
  28 #include "kalziumutils.h"
  29 #include "search.h"
  30
  31 #include <kdebug.h>
  32 #include <kiconloader.h>
  33 #include <klocale.h>
  34 #include <kpushbutton.h>
  35 #include <klineedit.h>
  36
  37 #include <QApplication>
  38 #include <QLabel>
  39 #include <QLayout>
  40 #include <QToolButton>
  41 #include <QTimer>
  42 #include <QKeyEvent>
  43
  44 MolcalcWidget::MolcalcWidget( QWidget *parent )
  45     : QWidget( parent )
  46 {
  47         m_parser = new MoleculeParser( KalziumDataObject::instance()->ElementList );
  48
  49     m_timer = new QTimer(this);
  50     m_timer->setSingleShot( true );
  51
  52         ui.setupUi( this );
  53
  54         connect( ui.calcButton, SIGNAL( clicked() ), this, SLOT( slotCalculate() ) );
  55         connect( ui.formulaEdit, SIGNAL( returnPressed() ), this, SLOT( slotCalculate() ) );
  56     connect( m_timer, SIGNAL( timeout() ),
  57             this, SLOT( slotCalculate() ) );
  58
  59         ui.formulaEdit->setClearButtonShown(true);
  60
  61         clear();
  62
  63 }
  64
  65 MolcalcWidget::~MolcalcWidget()
  66 {
  67         delete m_parser;
  68 }
  69
  70
  71 void MolcalcWidget::clear()
  72 {
  73         // Clear the data.
  74         m_mass = 0;
  75         m_elementMap.clear();
  76
  77         //stop the selection in the periodic table
  78         KalziumDataObject::instance()->search()->resetSearch();
  79
  80         // Clear the widgets.
  81         ui.resultLabel->setText( "" );
  82         ui.resultMass->setText( "" );
  83
  84         ui.resultComposition->setText( i18n("To start, enter\na formula in the\nwidget above and\nclick on 'Calc'.") );
  85
  86         ui.resultMass->setToolTip( QString() );
  87         ui.resultComposition->setToolTip( QString() );
  88         ui.resultLabel->setToolTip( QString() );
  89 }
  90
  91
  92 void MolcalcWidget::updateUI()
  93 {
  94     kDebug() << "MolcalcWidget::updateUI()";
  95
  96     if ( m_validInput ){
  97         kDebug() << "m_validInput == true";
  98         QString str;
  99
 100         // The complexString stores the whole molecule like this:
 101         // 1 Seaborgium. Cumulative Mass: 263.119 u (39.2564 %)
 102         QString complexString;
 103
 104         // Create the list of elements making up the molecule
 105         foreach (ElementCount * count , m_elementMap.map()) {
 106             // Update the resultLabel
 107             str += i18nc( "For example: \"1 Carbon\" or \"3 Oxygen\"", "%1 %2\n" ,
 108                     count->count() ,
 109                     count->element()->dataAsString( ChemicalDataObject::name) );
 110         }
 111         ui.resultLabel->setText( str );
 112
 113         // The composition
 114         ui.resultComposition->setText( compositionString(m_elementMap) );
 115
 116         // The mass
 117         ui.resultMass->setText( i18n( "Molecular mass: %1 u", m_mass ) );
 118
 119         ui.resultMass->setToolTip(        complexString );
 120         ui.resultComposition->setToolTip( complexString );
 121         ui.resultLabel->setToolTip(       complexString );
 122
 123 #if 0
 124         // FIXME
 125         //select the elements in the table
 126         QList<Element*> list = m_elementMap.elements();
 127         KalziumDataObject::instance()->findElements( list );
 128 #endif
 129     }
 130     else{//the input was invalid, so tell this the user
 131         kDebug() << "m_validInput == false";
 132         ui.resultComposition->setText( i18n( "Invalid input" ) );
 133         ui.resultLabel->setText( QString() );
 134         ui.resultMass->setText( QString() );
 135
 136         ui.resultMass->setToolTip(        i18n( "Invalid input" ) );
 137         ui.resultComposition->setToolTip( i18n( "Invalid input" ) );
 138         ui.resultLabel->setToolTip(       i18n( "Invalid input" ) );
 139     }
 140 }
 141
 142 QString MolcalcWidget::compositionString( ElementCountMap &_map )
 143 {
 144         QString  str;
 145
 146   foreach (ElementCount * count, _map.map()) {
 147       str += i18n( "%1<sub>%2</sub> " ,
 148               count->element()->dataAsString( ChemicalDataObject::symbol ) ,
 149               count->count() );
 150   }
 151
 152         return str;
 153 }
 154
 155
 156 // ----------------------------------------------------------------
 157 //                            slots
 158
 159
 160 void MolcalcWidget::slotCalculate()
 161 {
 162     kDebug() << "MolcalcWidget::slotCalcButtonClicked()";
 163         QString  molecule = ui.formulaEdit->text();
 164
 165         // Parse the molecule, and at the same time calculate the total
 166         // mass, and the composition of it.
 167         if ( !molecule.isEmpty() )
 168                 m_validInput = m_parser->weight(molecule, &m_mass, &m_elementMap);
 169
 170         updateUI();
 171 }
 172
 173 void MolcalcWidget::keyPressEvent(QKeyEvent * /* e */)
 174 {
 175     m_timer->start(1000);
 176 }
 177
 178
 179
 180 #include "molcalcwidget.moc"