kalzium/src/elementdataviewer.cpp

   1 /***************************************************************************
   2
   3                           elementdataviewer.cpp  -  description
   4                              -------------------
   5     copyright            : (C) 2004 by Carsten Niehaus
   6     email                : cniehaus@kde.org
   7  ***************************************************************************/
   8
   9 /***************************************************************************
  10  *                                                                         *
  11  *   This program is free software; you can redistribute it and/or modify  *
  12  *   it under the terms of the GNU General Public License as published by  *
  13  *   the Free Software Foundation; either version 2 of the License, or     *
  14  *   (at your option) any later version.                                   *
  15  *                                                                         *
  16  ***************************************************************************/
  17
  18 #include "elementdataviewer.h"
  19 #include "plotsetupwidget.h"
  20 #include <klocale.h>
  21 #include <knuminput.h>
  22 #include <kcombobox.h>
  23 #include <kdebug.h>
  24
  25 //QT-Includes
  26 #include <qframe.h>
  27 #include <qlayout.h>
  28 #include <qcheckbox.h>
  29
  30 ElementDataViewer::ElementDataViewer( KalziumDataObject *data, QWidget *parent, const char* name )
  31         : KDialogBase( KDialogBase::Plain,
  32                         i18n( "Visualize Data") ,
  33                         User1 | Close,
  34                         User1,
  35                         parent, name )
  36 {
  37         kdDebug() << "ElementDataViewer" << endl;
  38
  39         d = data;
  40
  41         yData = new AxisData();
  42
  43         QFrame *page = plainPage();
  44         QHBoxLayout *hlay = new QHBoxLayout(page, 0, spacingHint() );
  45         QVBoxLayout *vlay = new QVBoxLayout(hlay, 0 );
  46         m_pPlotSetupWidget = new PlotSetupWidget( page, "psw" );
  47         m_pPlotWidget = new PlotWidget( 0.0,12.0,0.0,22.0, page, "plotwidget" );
  48
  49         hlay->addWidget( m_pPlotSetupWidget );
  50         vlay->addWidget( m_pPlotWidget);
  51
  52         /*
  53          * setup the list of names
  54          **/
  55         EList::iterator it = d->ElementList.begin();
  56         for( ; it != d->ElementList.end() ; ++it )
  57         {
  58                 names.append( (*it)->elname() );
  59         }
  60
  61         resize(500, 500);
  62
  63         setButtonText( User1, i18n("&Plot") );
  64
  65         connect ( m_pPlotSetupWidget->showNames, SIGNAL( toggled(bool)), this, SLOT(slotUser1()));
  66 }
  67
  68 void ElementDataViewer::slotUser1()
  69 {
  70         kdDebug() << "slotUser1" << endl;
  71
  72         drawPlot();
  73 }
  74
  75 void ElementDataViewer::setLimits(int f, int t)
  76 {
  77         kdDebug() << "setLimits()" << endl;
  78
  79         double minY = yData->value(f);
  80         double maxY = yData->value(f);
  81
  82         int _currentVal = f;
  83         int _to = t;
  84
  85         while( _currentVal < _to )
  86         {
  87                 double v = yData->value( _currentVal );
  88
  89                 if( minY > v )
  90                         minY = v;
  91                 if( maxY < v)
  92                         maxY = v;
  93
  94                 _currentVal++;
  95         }
  96
  97         m_pPlotWidget->setLimits( (double)f, (double)t, minY, maxY );
  98 }
  99
 100 void ElementDataViewer::paintEvent(QPaintEvent*)
 101 {
 102         m_pPlotWidget->update();
 103 }
 104
 105 void ElementDataViewer::keyPressEvent(QKeyEvent *e)
 106 {
 107         switch ( e->key() )
 108         {
 109                 case Key_Plus:
 110                 case Key_Equal:
 111                         slotZoomIn();
 112                         break;
 113                 case Key_Minus:
 114                 case Key_Underscore:
 115                         slotZoomOut();
 116                         break;
 117                 case Key_Escape:
 118                         close();
 119                         break;
 120         }
 121 }
 122
 123 void ElementDataViewer::slotZoomIn(){}
 124 void ElementDataViewer::slotZoomOut(){}
 125
 126 void ElementDataViewer::setupAxisData()
 127 {
 128         kdDebug() << "setupAxisData()" << endl;
 129
 130         DoubleList l;
 131
 132         const int selectedData = m_pPlotSetupWidget->KCB_y->currentItem();
 133
 134         //this should be somewhere else, eg in its own method
 135         yData->m_currentDataType = selectedData;
 136
 137         EList::iterator it = d->ElementList.begin();
 138         switch(selectedData)
 139         {
 140                 case AxisData::WEIGHT:
 141                         for( ; it != d->ElementList.end() ; ++it ) {
 142                                 double value = (*it)->weight();
 143                                 if( value != -1 )
 144                                   l.append( value );
 145                                 else
 146                                   l.append( 0.0 );
 147                                 m_pPlotWidget->setYAxisLabel(i18n("Atomic Weight [u]"));
 148                         }
 149                         break;
 150                 case AxisData::MEANWEIGHT:
 151                         for( ; it != d->ElementList.end() ; ++it ) {
 152                                 double value =(*it)->meanweight();
 153                                 if( value != -1 )
 154                                   l.append( value );
 155                                 else
 156                                   l.append( 0.0 );
 157                                 m_pPlotWidget->setYAxisLabel(i18n("Mean Weight [u]"));
 158                         }
 159                         break;
 160                 case AxisData::DENSITY:
 161                         for( ; it != d->ElementList.end() ; ++it ) {
 162                                 double value =(*it)->density();
 163                                 if( value != -1 )
 164                                   l.append( value );
 165                                 else
 166                                   l.append( 0.0 );
 167                                 m_pPlotWidget->setYAxisLabel(i18n("Density"));
 168                         }
 169                         break;
 170                 case AxisData::IE1:
 171                         for( ; it != d->ElementList.end() ; ++it ) {
 172                                 double value = (*it)->ie();
 173                                 if( value != -1 )
 174                                   l.append( value );
 175                                 else
 176                                   l.append( 0.0 );
 177                                 m_pPlotWidget->setYAxisLabel(i18n("1. Ionization Energy"));
 178                         }
 179                         break;
 180                 case AxisData::IE2:
 181                         for( ; it != d->ElementList.end() ; ++it ) {
 182                                 double value = (*it)->ie2();
 183                                 if( value != -1 )
 184                                   l.append( value );
 185                                 else
 186                                   l.append( 0.0 );
 187                                 m_pPlotWidget->setYAxisLabel(i18n("2. Ionization Energy"));
 188                         }
 189                         break;
 190                 case AxisData::EN:
 191                         for( ; it != d->ElementList.end() ; ++it ) {
 192                                 double value = (*it)->electroneg();
 193                                 if( value != -1 )
 194                                   l.append( value );
 195                                 else
 196                                   l.append( 0.0 );
 197                                 m_pPlotWidget->setYAxisLabel(i18n("Electronegativity"));
 198                         }
 199                         break;
 200                 case AxisData::MELTINGPOINT:
 201                         for( ; it != d->ElementList.end() ; ++it ) {
 202                                 double value = (*it)->melting();
 203                                 if( value != -1 )
 204                                   l.append( value );
 205                                 else
 206                                   l.append( 0.0 );
 207                                 m_pPlotWidget->setYAxisLabel(i18n("Melting Point [K]"));
 208                         }
 209                         break;
 210                 case AxisData::BOILINGPOINT:
 211                         for( ; it != d->ElementList.end() ; ++it ) {
 212                                 double value = (*it)->electroneg();
 213                                 if( value != -1 )
 214                                   l.append( value );
 215                                 else
 216                                   l.append( 0.0 );
 217                                 m_pPlotWidget->setYAxisLabel(i18n("Boiling Point [K]"));
 218                         }
 219                         break;
 220                 case AxisData::ATOMICRADIUS:
 221                         for( ; it != d->ElementList.end() ; ++it ) {
 222                                 double value = (*it)->radius();
 223                                 if( value != -1 )
 224                                   l.append( value );
 225                                 else
 226                                   l.append( 0.0 );
 227                                 m_pPlotWidget->setYAxisLabel(i18n("Atomic Radius [pm]"));
 228                         }
 229                         break;
 230         }
 231
 232         yData->setDataList( l );
 233 }
 234
 235 void ElementDataViewer::drawPlot()
 236 {
 237         kdDebug() << "drawPlot()" << endl;
 238
 239         /*
 240          * to be 100% safe delete the old list
 241          */
 242         m_pPlotWidget->clearObjectList();
 243
 244         /*
 245          * spare the next step in case everything is already set and done
 246          */
 247         if( yData->currentDataType() != m_pPlotSetupWidget->KCB_y->currentItem() )
 248                 initData();
 249
 250         /*
 251          * if the user selected the elements 20 to 30 the list-values are 19 to 29!!!
 252          */
 253         int from = m_pPlotSetupWidget->from->value();
 254         int to = m_pPlotSetupWidget->to->value();
 255         kdDebug() << "from :" << from << endl;
 256         kdDebug() << "to :" << to << endl;
 257
 258         /*
 259          * The number of elements. #20 to 30 are 30-20+1=11 Elements
 260          */
 261         int num = to-from+1;
 262
 263         setLimits(from,to);
 264
 265         /*
 266          * check if the users wants to see the elementnames or not
 267          */
 268         bool showNames = m_pPlotSetupWidget->showNames->isChecked();
 269         bool connectPoints = m_pPlotSetupWidget->connectPoints->isChecked();
 270
 271         if ( connectPoints )
 272         {
 273                 m_pPlotWidget->setConnection( true );
 274                 kdDebug() << "setConnection ist wahr" << endl;
 275         }
 276         else
 277         {
 278                 m_pPlotWidget->setConnection( false );
 279                 kdDebug() << "setConnection ist falsch" << endl;
 280         }
 281
 282         /*
 283          * reserve the memory for the KPlotObjects
 284          */
 285         QMemArray<KPlotObject*> dataPoint(num);
 286         QMemArray<KPlotObject*> dataPointLabel(num);
 287
 288         int number = 0;
 289
 290         /*
 291          * iterate for example from element 20 to 30 and contruct
 292          * the KPlotObjects
 293          */
 294         kdDebug() << "start the plotting with creating the KPlotObjects" << endl;
 295         for( int i = from; i < to+1 ; i++ )
 296         {
 297                 dataPoint[number] = new KPlotObject( "whocares", "Blue", KPlotObject::POINTS, 4, KPlotObject::CIRCLE );
 298                 dataPoint[number]->addPoint( new DPoint( (double)i , yData->value( i ) ) );
 299                 m_pPlotWidget->addObject( dataPoint[ number ] );
 300
 301                 if (showNames)
 302                 {
 303                   dataPointLabel[number] = new KPlotObject( *(names.at(i)), "Red", KPlotObject::LABEL );
 304                   dataPointLabel[number]->addPoint( new DPoint( (double)i , yData->value( i ) ) );
 305                   m_pPlotWidget->addObject( dataPointLabel[number] );
 306                 }
 307
 308                 number++;
 309         }
 310         kdDebug() << "plotting ended" << endl;
 311 }
 312
 313 void ElementDataViewer::initData()
 314 {
 315         kdDebug() << "initData()" << endl;
 316
 317         setupAxisData();
 318 }
 319
 320 ///////////////////////////////////////////////7
 321
 322 AxisData::AxisData()
 323 {}
 324
 325 #include "elementdataviewer.moc"