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tdeedu/kalzium/src/elementdataviewer.cpp

352 lines
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/***************************************************************************
copyright : (C) 2004, 2005 by Carsten Niehaus
email : cniehaus@kde.org
***************************************************************************/
/***************************************************************************
* *
* 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. *
* *
***************************************************************************/
#include "elementdataviewer.h"
#include "element.h"
#include "plotsetupwidget.h"
#include "plotwidget.h"
#include "kalziumdataobject.h"
#include <tdelocale.h>
#include <knuminput.h>
#include <kcombobox.h>
#include <kdebug.h>
#include <tdeactioncollection.h>
#include <tdeapplication.h>
//QT-Includes
#include <tqlayout.h>
#include <tqcheckbox.h>
#include <tqlabel.h>
ElementDataViewer::ElementDataViewer( TQWidget *parent, const char* name )
: KDialogBase( KDialogBase::Plain,
i18n( "Plot Data") ,
Help | User1 | Close,
User1,
parent, name )
{
d = KalziumDataObject::instance();
yData = new AxisData();
TQHBoxLayout *layout = new TQHBoxLayout(plainPage(), 0, KDialog::spacingHint() );
m_pPlotSetupWidget = new PlotSetupWidget( plainPage(), "plotsetup" );
m_pPlotSetupWidget->from->setMaxValue( d->numberOfElements() - 1 );
m_pPlotSetupWidget->to->setMaxValue( d->numberOfElements() );
m_pPlotWidget = new PlotWidget( 0.0, 12.0 ,0.0 ,22.0, plainPage(), "plotwidget" );
m_pPlotWidget->setYAxisLabel(" ");
m_pPlotWidget->setMinimumWidth( 200 );
m_pPlotWidget->resize( 400, m_pPlotWidget->height() );
layout->addWidget( m_pPlotSetupWidget );
layout->addWidget( m_pPlotWidget );
layout->setStretchFactor( m_pPlotSetupWidget, 0 );
layout->setStretchFactor( m_pPlotWidget, 1 );
// setup the list of names
EList::iterator it = d->ElementList.begin();
const EList::iterator itEnd = d->ElementList.end();
for( ; it != itEnd ; ++it )
{
names.append( (*it)->elname() );
}
resize(500, 500);
setButtonText( User1, i18n("&Plot") );
m_actionCollection = new TDEActionCollection(this);
KStdAction::quit(TQT_TQOBJECT(this), TQT_SLOT(slotClose()), m_actionCollection);
connect ( m_pPlotSetupWidget->KCB_y, TQT_SIGNAL( activated(int) ),
this, TQT_SLOT( drawPlot()) );
connect ( m_pPlotSetupWidget->connectPoints, TQT_SIGNAL( toggled(bool) ),
this, TQT_SLOT( drawPlot()) );
connect ( m_pPlotSetupWidget->showNames, TQT_SIGNAL( toggled(bool) ),
this, TQT_SLOT( drawPlot()) );
// Draw the plot so that the user doesn't have to press the "Plot"
// button to seee anything.
drawPlot();
}
void ElementDataViewer::slotHelp()
{
emit helpClicked();
if ( kapp )
kapp->invokeHelp ( "plot_data", "kalzium" );
}
// Reimplement slotUser1 from KDialogBase
void ElementDataViewer::slotUser1()
{
kdDebug() << "slotUser1" << endl;
drawPlot();
}
void ElementDataViewer::setLimits(int f, int t)
{
kdDebug() << "setLimits()" << endl;
double minY = yData->value(f);
double maxY = yData->value(f);
for ( int _currentVal = f; _currentVal <= t; _currentVal++ )
{
double v = yData->value( _currentVal );
if( minY > v )
minY = v;
if( maxY < v)
maxY = v;
}
// try to put a small padding to make the points on the axis visible
double dx = ( t - f + 1 ) / 25 + 1.0;
double dy = ( maxY - minY ) / 10.0;
// in case that dy is quite small (for example, when plotting a single
// point)
if ( dy < 1e-7 )
dy = maxY / 10.0;
m_pPlotWidget->setLimits( f - dx, t + dx, minY - dy, maxY + dy );
}
void ElementDataViewer::paintEvent(TQPaintEvent*)
{
m_pPlotWidget->update();
}
void ElementDataViewer::keyPressEvent(TQKeyEvent *e)
{
switch ( e->key() )
{
case Key_Plus:
case Key_Equal:
slotZoomIn();
break;
case Key_Minus:
case Key_Underscore:
slotZoomOut();
break;
case Key_Escape:
close();
break;
}
}
void ElementDataViewer::slotZoomIn(){}
void ElementDataViewer::slotZoomOut(){}
void ElementDataViewer::setupAxisData()
{
DoubleList l;
const int selectedData = m_pPlotSetupWidget->KCB_y->currentItem();
//this should be somewhere else, eg in its own method
yData->m_currentDataType = selectedData;
EList::iterator it = d->ElementList.begin();
const EList::iterator itEnd = d->ElementList.end();
switch(selectedData)
{
case AxisData::MASS:
for( ; it != itEnd ; ++it ) {
double value = (*it)->mass();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Atomic Mass [u]"));
break;
case AxisData::MEANWEIGHT:
for( ; it != itEnd ; ++it ) {
double value =(*it)->meanmass();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Mean Mass [u]"));
break;
case AxisData::DENSITY:
for( ; it != itEnd ; ++it ) {
double value =(*it)->density();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Density"));
break;
case AxisData::EN:
for( ; it != itEnd ; ++it ) {
double value = (*it)->electroneg();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Electronegativity"));
break;
case AxisData::MELTINGPOINT:
for( ; it != itEnd ; ++it ) {
double value = (*it)->melting();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Melting Point [K]"));
break;
case AxisData::BOILINGPOINT:
for( ; it != itEnd ; ++it ) {
double value = (*it)->boiling();
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Boiling Point [K]"));
break;
case AxisData::ATOMICRADIUS:
for( ; it != itEnd ; ++it ) {
double value = (*it)->radius( Element::ATOMIC );
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Atomic Radius [pm]"));
break;
case AxisData::COVALENTRADIUS:
for( ; it != itEnd ; ++it ) {
double value = (*it)->radius( Element::COVALENT );
if( value > 0.0 )
l.append( value );
else
l.append( 0.0 );
}
m_pPlotWidget->setYAxisLabel(i18n("Covalent Radius [pm]"));
break;
}
yData->setDataList( l );
}
void ElementDataViewer::drawPlot()
{
kdDebug() << "drawPlot()" << endl;
/*
* to be 100% safe delete the old list
*/
m_pPlotWidget->clearObjectList();
/*
* spare the next step in case everything is already set and done
*/
if( yData->currentDataType() != m_pPlotSetupWidget->KCB_y->currentItem() )
initData();
/*
* if the user selected the elements 20 to 30 the list-values are 19 to 29!!!
*/
const int from = m_pPlotSetupWidget->from->value();
const int to = m_pPlotSetupWidget->to->value();
/*
* The number of elements. #20 to 30 are 30-20+1=11 Elements
*/
const int num = to-from+1;
setLimits(from,to);
/*
* check if the users wants to see the elementnames or not
*/
bool showNames = m_pPlotSetupWidget->showNames->isChecked();
bool connectPoints = m_pPlotSetupWidget->connectPoints->isChecked();
if ( connectPoints )
m_pPlotWidget->setConnection( true );
else
m_pPlotWidget->setConnection( false );
/*
* reserve the memory for the KPlotObjects
*/
TQMemArray<KPlotObject*> dataPoint(num);
TQMemArray<KPlotObject*> dataPointLabel(num);
int number = 0;
double max = 0.0, av = 0.0;
double min = yData->value( 1 );
/*
* iterate for example from element 20 to 30 and contruct
* the KPlotObjects
*/
for( int i = from; i < to+1 ; i++ )
{
double v = yData->value( i );
if ( v >= 0.0 )
{
if ( v < min )
min = v;
if ( v > max )
max = v;
av += v;
dataPoint[number] = new KPlotObject( "whocares", "Blue", KPlotObject::POINTS, 4, KPlotObject::CIRCLE );
dataPoint[number]->addPoint( new DPoint( (double)i , v ) );
m_pPlotWidget->addObject( dataPoint[ number ] );
if (showNames)
{
dataPointLabel[number] = new KPlotObject( *(names.at(i-1)), "Red", KPlotObject::LABEL );
dataPointLabel[number]->addPoint( new DPoint( (double)i , yData->value( i ) ) );
m_pPlotWidget->addObject( dataPointLabel[number] );
}
}
number++;
}
//now set the values for the min, max and avarage value
m_pPlotSetupWidget->aValue->setText( TQString::number( av/number ) );
m_pPlotSetupWidget->minValue->setText( TQString::number( min ) );
m_pPlotSetupWidget->maxValue->setText( TQString::number( max ) );
}
void ElementDataViewer::initData()
{
setupAxisData();
}
///////////////////////////////////////////////
AxisData::AxisData()
{}
#include "elementdataviewer.moc"