kalzium/src/elementdataviewer.cpp

   1 /***************************************************************************
   2     copyright            : (C) 2004, 2005, 2006  by Carsten Niehaus
   3     email                : cniehaus@kde.org
   4  ***************************************************************************/
   5
   6 /***************************************************************************
   7  *                                                                         *
   8  *   This program is free software; you can redistribute it and/or modify  *
   9  *   it under the terms of the GNU General Public License as published by  *
  10  *   the Free Software Foundation; either version 2 of the License, or     *
  11  *   (at your option) any later version.                                   *
  12  *                                                                         *
  13  ***************************************************************************/
  14
  15 #include "elementdataviewer.h"
  16
  17 #include <element.h>
  18 #include <kplotaxis.h>
  19 #include <kplotobject.h>
  20
  21 #include <klocale.h>
  22 #include <kdebug.h>
  23 #include <kactioncollection.h>
  24 #include <kstandardaction.h>
  25 #include <ktoolinvocation.h>
  26
  27 //QT-Includes
  28 #include <QKeyEvent>
  29 #include <QPen>
  30 #include <QTimer>
  31
  32 AxisData::AxisData( AXISTYPE type) : currentDataType(-1)
  33 {
  34     m_type = type;
  35 }
  36
  37 double AxisData::value( int element ) const
  38 {
  39     if ( ( element < 1 ) || ( element > dataList.count() ) )
  40         return 0.0;
  41
  42     return dataList[ element-1 ];
  43 }
  44
  45
  46 ElementDataViewer::ElementDataViewer( QWidget *parent )
  47   : KDialog( parent ),
  48     m_yData( new AxisData( AxisData::Y ) ) ,
  49     m_xData( new AxisData( AxisData::X ) )
  50 {
  51         setCaption( i18n( "Plot Data" ) );
  52         setButtons( Help | Close );
  53         setDefaultButton( Close );
  54
  55         KalziumDataObject *kdo  = KalziumDataObject::instance();
  56
  57   ui.setupUi( mainWidget() );
  58
  59         m_timer = new QTimer( this );
  60         m_timer->setSingleShot( true );
  61
  62         // setup the list of names
  63   foreach (Element * e, kdo->ElementList) {
  64       names << e->dataAsString( ChemicalDataObject::name );
  65       symbols << e->dataAsString( ChemicalDataObject::symbol );
  66   }
  67
  68         m_actionCollection = new KActionCollection (this );
  69         KStandardAction::quit( this, SLOT( close() ), m_actionCollection );
  70
  71         connect( m_timer, SIGNAL( timeout() ),
  72           this, SLOT( drawPlot() ) );
  73         connect( ui.KCB_y, SIGNAL( activated(int) ),
  74                  this, SLOT( rangeChanged()) );
  75         connect( ui.KCB_x, SIGNAL( activated(int) ),
  76                  this, SLOT( rangeChanged()) );
  77         connect( ui.comboElementLabels, SIGNAL( activated( int ) ),
  78                  this, SLOT( rangeChanged()) );
  79         connect( ui.from, SIGNAL( valueChanged( int ) ),
  80                  this, SLOT( rangeChanged() ) );
  81         connect( ui.to, SIGNAL( valueChanged( int ) ),
  82                  this, SLOT( rangeChanged() ) );
  83         connect( this, SIGNAL( helpClicked() ), this, SLOT( slotHelp() ) );
  84         drawPlot();
  85
  86         resize( 650, 500 );
  87 }
  88
  89 ElementDataViewer::~ElementDataViewer()
  90 {
  91         delete m_yData;
  92         delete m_xData;
  93 }
  94
  95 void ElementDataViewer::slotHelp()
  96 {
  97         KToolInvocation::invokeHelp( "plot_data", "kalzium" );
  98 }
  99
 100 void ElementDataViewer::rangeChanged()
 101 {
 102         m_timer->stop();
 103         m_timer->start( 500 );
 104 }
 105
 106
 107 void ElementDataViewer::setLimits()
 108 {
 109     kDebug() << "ElementDataViewer::setLimits()";
 110
 111     double x1 = 0.0, x2 = 0.0, y1 = 0.0, y2 = 0.0;
 112
 113     getMinMax(x1, x2, m_xData);
 114     getMinMax(y1, y2, m_yData);
 115
 116     kDebug() << x1 << " :: " << x2 << " ----- "  << y1 << " :: " << y2;
 117
 118                 //JH: add some padding to show all points
 119                 double dx = 0.05*(x2-x1);
 120                 double dy = 0.05*(y2-y1);
 121                 x1 -= dx;
 122                 x2 += dx;
 123                 y1 -= dy;
 124                 y2 += dy;
 125
 126 //X     // try to put a small padding to make the points on the axis visible
 127 //X     double dx = ( to - from + 1 ) / 25 + 1.0;
 128 //X     double dy = ( maxY - minY ) / 10.0;
 129 //X     // in case that dy is quite small (for example, when plotting a single
 130 //X     // point)
 131 //X     if ( dy < 1e-7 )
 132 //X         dy = maxY / 10.0;
 133 //X     ui.plotwidget->setLimits( from - dx, to + dx, minY - dy, maxY + dy );
 134
 135     ui.plotwidget->setLimits( x1, x2, y1, y2 );
 136 }
 137
 138 void ElementDataViewer::getMinMax(double& min, double& max, AxisData * data)
 139 {
 140     int firstElement = ui.from->value();
 141     int lastElement  = ui.to->value();
 142
 143     double minValue = data->value(firstElement);
 144     double maxValue = data->value(firstElement);
 145
 146     kDebug() << "Taking elements from " << firstElement << " to " << lastElement;
 147
 148     for ( int _currentVal = firstElement; _currentVal <= lastElement; _currentVal++ )
 149     {//go over all selected elements
 150         double v = data->value( _currentVal );
 151
 152         if( minValue > v )
 153             minValue = v;
 154         if( maxValue < v)
 155             maxValue = v;
 156     }
 157
 158     kDebug() << "The value are ]"<< minValue << " , " << maxValue << "[.";
 159
 160     min = minValue;
 161     max = maxValue;
 162 }
 163
 164 void ElementDataViewer::keyPressEvent(QKeyEvent *e)
 165 {
 166     switch ( e->key() )
 167     {
 168         case Qt::Key_Plus:
 169         case Qt::Key_Equal:
 170             slotZoomIn();
 171             break;
 172         case Qt::Key_Minus:
 173         case Qt::Key_Underscore:
 174             slotZoomOut();
 175             break;
 176         case Qt::Key_Escape:
 177             close();
 178             break;
 179     }
 180 }
 181
 182 void ElementDataViewer::slotZoomIn(){}
 183 void ElementDataViewer::slotZoomOut(){}
 184
 185 void ElementDataViewer::setupAxisData( AxisData * data )
 186 {
 187     DoubleList l;
 188
 189     int selectedData = 0;
 190     if ( data->type() == AxisData::X )
 191         selectedData = ui.KCB_x->currentIndex();
 192     else
 193         selectedData = ui.KCB_y->currentIndex();
 194
 195     data->currentDataType = selectedData;
 196
 197     // init to _something_
 198     ChemicalDataObject::BlueObelisk kind = ChemicalDataObject::mass;
 199     QString caption = QString();
 200     switch(selectedData)
 201     {
 202         case AxisData::NUMBER:
 203             {
 204                 kind = ChemicalDataObject::atomicNumber;
 205                 caption = i18n( "Atomic Mass [u]" );
 206                 break;
 207             }
 208         case AxisData::MASS:
 209             {
 210                 kind = ChemicalDataObject::mass;
 211                 caption = i18n( "Atomic Mass [u]" );
 212                 break;
 213             }
 214         case AxisData::EN:
 215             {
 216                 kind = ChemicalDataObject::electronegativityPauling;
 217                 caption = i18n( "Electronegativity" );
 218                 break;
 219             }
 220         case AxisData::MELTINGPOINT:
 221             {
 222                 kind = ChemicalDataObject::meltingpoint;
 223                 caption = i18n( "Melting Point [K]" );
 224                 break;
 225             }
 226         case AxisData::BOILINGPOINT:
 227             {
 228                 kind = ChemicalDataObject::boilingpoint;
 229                 caption = i18n( "Boiling Point [K]" );
 230                 break;
 231             }
 232         case AxisData::ATOMICRADIUS:
 233             {
 234                 kind = ChemicalDataObject::radiusVDW;
 235                 caption = i18n( "Atomic Radius [pm]" );
 236                 break;
 237             }
 238         case AxisData::COVALENTRADIUS:
 239             {
 240                 kind = ChemicalDataObject::radiusCovalent;
 241                 caption = i18n( "Covalent Radius [pm]" );
 242                 break;
 243             }
 244     }
 245     KalziumDataObject *kdo = KalziumDataObject::instance();
 246
 247     foreach (Element * element, kdo->ElementList) {
 248         double value = element->dataAsVariant( kind ).toDouble();
 249         l << ( value > 0.0 ? value : 0.0 );
 250     }
 251
 252     data->dataList.clear();
 253     data->dataList << l;
 254     data->kind = kind;
 255
 256     if ( data->type() == AxisData::X )
 257     {
 258         ui.plotwidget->axis(KPlotWidget::BottomAxis)->setLabel( caption );
 259     }
 260     else
 261     {
 262         ui.plotwidget->axis(KPlotWidget::LeftAxis)->setLabel( caption );
 263         ui.plotwidget->axis(KPlotWidget::RightAxis)->setLabel( caption );
 264     }
 265 }
 266
 267 void ElementDataViewer::drawPlot()
 268 {
 269     /*
 270      * to be 100% safe delete the old list
 271      */
 272     ui.plotwidget->removeAllPlotObjects();
 273
 274     /*
 275      * spare the next step in case everything is already set and done
 276      */
 277     if( m_yData->currentDataType != ui.KCB_y->currentIndex() )
 278         initData();
 279
 280     if( m_xData->currentDataType != ui.KCB_x->currentIndex() )
 281         initData();
 282
 283     /*
 284      * if the user selected the elements 20 to 30 the list-values are 19 to 29!!!
 285      */
 286     const int tmpfrom = ui.from->value();
 287     const int tmpto = ui.to->value();
 288     const int from = qMin( tmpfrom, tmpto );
 289     const int to = qMax( tmpfrom, tmpto );
 290
 291     /*
 292      * The number of elements. #20 to 30 are 30-20+1=11 Elements
 293      */
 294     const int num = to-from+1;
 295
 296     setLimits();
 297
 298     /*
 299      * check if the users wants to see the elementnames or not
 300      */
 301     int whatShow = ui.comboElementLabels->currentIndex();
 302
 303     KPlotObject* dataPoint = 0;
 304
 305     double av_x = 0.0;
 306     double max_x = m_xData->value(from);
 307     double min_x = m_xData->value(from);
 308     double av_y = 0.0;
 309     double max_y = m_yData->value(from);
 310     double min_y = m_yData->value(from);
 311
 312     /*
 313      * iterate for example from element 20 to 30 and contruct
 314      * the KPlotObjects
 315      */
 316                 dataPoint = new KPlotObject(
 317                 Qt::blue,
 318                 KPlotObject::Points,
 319                 4,
 320                 KPlotObject::Star );
 321                 dataPoint->setLabelPen( QPen( Qt::red ) );
 322
 323     for( int i = from; i < to+1 ; i++ )
 324     {
 325         double value_y = m_yData->value( i );
 326         double value_x = m_xData->value( i );
 327
 328         av_x += value_x;
 329         av_y += value_y;
 330
 331         if (value_x > max_x) {
 332             max_x = value_x;
 333         }
 334         if (value_y > max_y) {
 335             max_y = value_y;
 336         }
 337         if (value_x < min_x) {
 338             min_x = value_x;
 339         }
 340         if (value_y < min_y) {
 341             min_y = value_y;
 342         }
 343
 344                                 QString lbl = QString();
 345         if ( whatShow > 0 )//The users wants to see the labels
 346         {
 347                                         lbl = whatShow == 1 ? names[i-1] : symbols[i-1];
 348         }
 349
 350         dataPoint->addPoint( value_x, value_y, lbl );
 351
 352     }
 353
 354                 ui.plotwidget->addPlotObject( dataPoint );
 355
 356     //now set the values for the min, max and avarage value
 357     ui.av_x->setText( QString::number( av_x / num ) );
 358     ui.minimum_x->setText( QString::number( min_x ) );
 359     ui.maximum_x->setText( QString::number( max_x ) );
 360     ui.av_y->setText( QString::number( av_y / num ) );
 361     ui.minimum_y->setText( QString::number( min_y ) );
 362     ui.maximum_y->setText( QString::number( max_y ) );
 363 }
 364
 365 void ElementDataViewer::initData()
 366 {
 367         setupAxisData(m_xData);
 368         setupAxisData(m_yData);
 369 }
 370
 371 #include "elementdataviewer.moc"