Copy the KDE 3.5 branch to branches/trinity for new KDE 3.5 features.

BUG:215923


git-svn-id: svn://anonsvn.kde.org/home/kde/branches/trinity/kdeedu@1054174 283d02a7-25f6-0310-bc7c-ecb5cbfe19da

1 files changed, 548 insertions, 0 deletions

diff --git a/kalzium/src/element.cpp b/kalzium/src/element.cpp
new file mode 100644
index 00000000..a909a5ac
--- /dev/null
+++ b/kalzium/src/element.cpp
@@ -0,0 +1,548 @@
+/***************************************************************************
+ *   Copyright (C) 2003, 2004, 2005 by Carsten Niehaus                     *
+ *   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.                                   *
+ *                                                                         *
+ *   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 "element.h"
+#include "prefs.h"
+#include "spectrum.h"
+#include "isotope.h"
+#include "kalziumdataobject.h"
+#include "kalziumutils.h"
+#include "tempunit.h"
+
+#include <qdom.h>
+#include <qfile.h>
+#include <qpainter.h>
+#include <qregexp.h>
+#include <qfontmetrics.h>
+
+#include <kdebug.h>
+#include <klocale.h>
+#include <kurl.h>
+#include <kstandarddirs.h>
+
+Element::Element()
+{
+	m_radioactive = false;
+	m_artificial = false;
+	m_abundance = 0;
+}
+
+Isotope* Element::isotopeByNucleons( int numberOfNucleons )
+{
+	QValueList<Isotope*>::ConstIterator it = m_isotopeList.begin();
+	const QValueList<Isotope*>::ConstIterator itEnd = m_isotopeList.end();
+
+	for ( ; it != itEnd; ++it )
+	{
+		if ( ( ( *it )->neutrons() + ( *it )->protones() ) == numberOfNucleons )
+			return *it;
+	}
+	return 0;
+}
+
+QString Element::parsedOrbits( bool canBeEmpty )
+{
+	if ( m_orbits.isEmpty() )
+		if ( !canBeEmpty )
+			return i18n( "structure means orbital configuration in this case", "Unknown structure" );
+		else
+			return "";
+	
+	QString orbits = m_orbits;
+	QRegExp rxs("([a-z])([0-9]+)");
+	QRegExp rxb("([a-z]{2}) ",false);
+	orbits.replace(rxs,"\\1<sup>\\2</sup>"); //superscript around electron number
+	orbits.replace(rxb,"<b>\\1</b> "); //bold around element symbols
+	return orbits;
+}
+
+Element::~Element()
+{
+}
+
+double Element::meanmass()
+{
+	return m_mass/m_number;
+}
+
+const QString Element::adjustRadius( RADIUSTYPE rtype )
+{
+	double val = 0.0;
+	QString v;
+
+	switch ( rtype )
+	{
+		case ATOMIC:
+			val = m_RadiusAR;
+			break;
+		case IONIC:
+			val = m_RadiusIon;
+			break;
+		case COVALENT:
+			val = m_RadiusCR;
+			break;
+		case VDW:
+			val = m_RadiusVDW;
+			break;
+	}
+
+	if ( val <= 0 )
+		v = i18n( "Value unknown" );
+	else
+		v = i18n( "%1 is a length, eg: 12.3 pm", "%1 pm" ).arg( KalziumUtils::localizedValue( val, 6 ) );
+	return v;
+}
+
+const QString Element::adjustUnits( const int type, double value )
+{
+	QString v;
+	if ( type == IE  ) //an ionization energy
+	{
+		if ( Prefs::energies() == 0 )
+		{
+			value*=96.6;
+			v = KalziumUtils::localizedValue( value, 6 );
+			v.append( " kJ/mol" );
+		}
+		else // use electronvolt
+		{
+			v = KalziumUtils::localizedValue( value, 6 );
+			v.append( " eV" );
+		}
+	}
+	return v;
+}
+
+const QString Element::adjustUnits( const int type )
+{
+	QString v = QString::null;
+
+	double val = 0.0; //the value to convert
+	
+	if ( type == BOILINGPOINT || type == MELTINGPOINT ) // convert a temperature
+	{
+		if ( type == BOILINGPOINT )
+			val = boiling();
+		else
+			val = melting();
+
+		if ( val <= 0 )
+			v = i18n( "Value unknown" );
+		else
+		{
+			double newvalue = TempUnit::convert( val, (int)TempUnit::Kelvin, Prefs::temperature() );
+			QString strVal = KalziumUtils::localizedValue( newvalue, 6 );
+			switch (Prefs::temperature()) {
+				case 0: //Kelvin
+					v = i18n( "%1 is the temperature in Kelvin", "%1 K" ).arg( strVal );
+					break;
+				case 1://Kelvin to Celsius
+					v = i18n( "%1 is the temperature in Celsius", "%1 %2C" ).arg( strVal ).arg( QChar(0xB0) );
+					break;
+				case 2: // Kelvin to Fahrenheit
+					v = i18n( "%1 is the temperature in Fahrenheit", "%1 %2F" ).arg( strVal ).arg( QChar(0xB0) );
+					break;
+				case 3: // Kelvin to Rankine
+					v = i18n( "%1 is the temperature in Rankine", "%1 %2Ra" ).arg( strVal ).arg( QChar(0xB0) );
+					break;
+				case 4: // Kelvin to Reaumur
+					v = i18n( "%1 is the temperature in Reaumur", "%1 %2R" ).arg( strVal ).arg( QChar(0xB0) );
+					break;
+			}
+		}
+	}
+	else if ( type == EN ) //Electronegativity
+	{
+		val = electroneg();
+		if ( val <= 0 )
+			v = i18n( "Value not defined" );
+		else {
+			v = KalziumUtils::localizedValue( val, 6 );
+		}
+	}
+	else if ( type == EA ) //Electron affinity
+	{
+		val = electroaf();
+		if ( val == 0.0 )
+			v = i18n( "Value not defined" );
+		else
+		{
+			if ( Prefs::energies() == 0 )
+			{
+				v = i18n( "%1 kJ/mol" ).arg( KalziumUtils::localizedValue( val, 6 ) );
+			}
+			else // use electronvolt
+			{
+				val/=96.6;
+				v = i18n( "%1 eV" ).arg( KalziumUtils::localizedValue( val, 6 ) );
+			}
+		}
+	}
+	else if ( type == MASS ) // its a mass
+	{
+		val = mass();
+		if ( val <= 0 )
+			v = i18n( "Value unknown" );
+		else
+			v = i18n( "%1 u" ).arg( KalziumUtils::localizedValue( val, 6 ) );
+	}
+	else if ( type == DENSITY ) // its a density
+	{
+		val = density();
+
+		if ( val <= 0 )
+			v = i18n( "Value unknown" );
+		else
+		{
+			if ( boiling() < 295.0 && melting() < 295.0)//gasoline
+			{
+				v = i18n( "%1 g/L" ).arg( KalziumUtils::localizedValue( val, 6 ) );
+			}
+			else//liquid or solid
+			{
+				v = i18n( "%1 g/cm<sup>3</sup>" ).arg( KalziumUtils::localizedValue( val, 6 ));
+			}
+		}
+	}
+	else if ( type == DATE ) //its a date
+	{
+		val = date();
+		if ( val < 1600 )
+		{
+			v = i18n( "This element was known to ancient cultures" );
+		}
+		else
+		{
+			v = i18n( "This element was discovered in the year %1" ).arg( QString::number( val ) );
+		}
+	}
+
+	return v;
+}
+
+void Element::drawStateOfMatter( QPainter* p, double temp )
+{
+	//the height of a "line" inside an element
+	int h_small = 15; //the size for the small units like elementnumber
+
+	//The X-coordiante
+	int X = xPos();
+	
+	//The Y-coordinate
+	int Y = yPos();
+	
+	QColor color = currentColor( temp );
+	
+	p->setPen( color );
+	p->fillRect( X, Y,ELEMENTSIZE,ELEMENTSIZE, color );
+	
+	QString text;
+	QFont symbol_font = p->font();
+
+	symbol_font.setPointSize( 10 );
+	QFont f = p->font();
+	f.setPointSize( 9 );
+		
+	p->setFont( f );
+
+	//top left
+	p->setPen( Qt::black );
+	text = KalziumUtils::localizedValue( KalziumUtils::strippedValue( mass( ) ), 6 );
+	p->drawText( X,Y ,ELEMENTSIZE,h_small,Qt::AlignCenter, text );
+
+	text = QString::number( number() );
+	p->drawText( X,Y+ELEMENTSIZE-h_small , ELEMENTSIZE, h_small,Qt::AlignCenter, text );
+
+	p->setFont( symbol_font );
+	p->drawText( X,Y, ELEMENTSIZE,ELEMENTSIZE,Qt::AlignCenter, symbol() );
+	
+	//border
+	p->setPen( Qt::black );
+	p->drawRect( X, Y,ELEMENTSIZE+1,ELEMENTSIZE+1);
+}
+
+QColor Element::currentColor( const double temp )
+{
+	QColor color;
+	
+	//take the colours for the given temperature
+	const double iButton_melting = melting();
+	const double iButton_boiling = boiling();
+
+	//If either the mp or bp is not known return
+	//This is to avoid undefined behaviour
+//	if ( iButton_boiling <= 0.0 || iButton_melting <= 0.0 )
+//		return Qt::lightGray;
+
+	if ( temp < iButton_melting )
+	{ //the element is solid
+		color= Prefs::color_solid();
+	}
+	else if ( temp > iButton_melting &&
+			temp < iButton_boiling ) 
+	{ //the element is liquid
+		color= Prefs::color_liquid();
+	}
+	else if ( temp > iButton_boiling && iButton_boiling > 0.0 )
+	{ //the element is vaporous
+		color= Prefs::color_vapor();
+	}
+	else
+		color = Qt::lightGray;
+
+	return color;
+}
+
+	
+void Element::drawGradient( QPainter* p, const QString& value, const QColor& c)
+{
+	//Set the elementColor to c to make the overviewwidget show
+	//the correct color
+	setElementColor( c );
+	
+	//the height of a "line" inside an element
+	int h_small = 10; //the size for the small units like elementnumber
+
+	//The X-coordiante
+	int X = xPos();
+	
+	//The Y-coordinate
+	int Y = yPos();
+
+	p->setPen( c );
+	p->fillRect( X, Y,ELEMENTSIZE,ELEMENTSIZE, c );
+	
+	p->setPen( Qt::black );
+	QFont symbol_font = p->font();
+	QFont f = p->font();
+
+	f.setPointSize( KalziumUtils::maxSize(value, QRect( X,Y+ELEMENTSIZE-h_small, ELEMENTSIZE, h_small ),f, p ) );
+	p->setFont( f );
+
+	p->drawText( X,Y+ELEMENTSIZE-h_small , ELEMENTSIZE, h_small,Qt::AlignCenter, value );
+
+	const QRect rect = QRect( X,Y,ELEMENTSIZE-2,ELEMENTSIZE-10 );
+	int goodsize = KalziumUtils::maxSize( symbol(), rect, symbol_font, p );
+	symbol_font.setPointSize( goodsize );
+	p->setFont( symbol_font );
+	p->drawText( X+1,Y+5, ELEMENTSIZE-2,ELEMENTSIZE-10,Qt::AlignCenter, symbol() );
+	
+	//border
+	p->setPen( Qt::black );
+	p->drawRect( X, Y,ELEMENTSIZE+1,ELEMENTSIZE+1);
+}
+
+void Element::drawGrayedOut( QPainter *p )
+{ 
+	//The X-coordiante
+	int X = xPos();
+	
+	//The Y-coordinate
+	int Y = yPos();
+	
+	p->fillRect( X, Y,ELEMENTSIZE,ELEMENTSIZE, Qt::lightGray );
+	
+	p->setPen( Qt::darkGray );
+	
+	QFont symbol_font = p->font();
+	const QRect rect = QRect( X,Y,ELEMENTSIZE-2,ELEMENTSIZE-10 );
+	int goodsize = KalziumUtils::maxSize( symbol(), rect, symbol_font, p );
+	symbol_font.setPointSize( goodsize );
+	p->setFont( symbol_font );
+	p->drawText( X+1,Y+5, ELEMENTSIZE-2,ELEMENTSIZE-10,Qt::AlignCenter, symbol() );
+
+	p->setPen( Qt::black );
+	p->drawRect( X, Y,ELEMENTSIZE+1,ELEMENTSIZE+1);
+}
+
+void Element::drawSelf( QPainter* p, bool simple, bool isCrystal )
+{
+	//the height of a "line" inside an element
+	int h_small = 12; //the size for the small units like elementnumber
+
+	//The X-coordiante
+	int X = xPos();
+	
+	//The Y-coordinate
+	int Y = yPos();
+
+	p->setPen( elementColor() );
+	p->fillRect( X, Y,ELEMENTSIZE,ELEMENTSIZE, elementColor() );
+	p->setPen( Qt::black );
+	
+	QString text;
+	QFont symbol_font = p->font();
+	
+	const int max = ELEMENTSIZE-10;
+	
+	const QRect rect = QRect( X,Y,ELEMENTSIZE-2,max );
+
+	int goodsize = KalziumUtils::maxSize( symbol(), rect, symbol_font, p );
+	symbol_font.setPointSize( goodsize );
+	p->setFont( symbol_font );
+	
+	if ( !simple )
+		p->drawText( X+1,Y+5, ELEMENTSIZE-2,max,Qt::AlignCenter, symbol() );
+	else
+		p->drawText( X+1,Y+5, ELEMENTSIZE-2,max,Qt::AlignHCenter, symbol() );
+	
+	QFont f = p->font();
+
+	QRect smallRect( X,Y ,ELEMENTSIZE-4,h_small );
+	f.setPointSize( KalziumUtils::maxSize( QString::number( number() ), smallRect, f, p ) );
+	
+	p->setFont( f );
+
+	if ( !simple )
+	{//the user only wants a simple periodic table, don't weight the cell
+		QString text;
+		if ( isCrystal )
+		{
+			QString structure = crystalstructure();
+			/**
+			 * hcp: hexagonal close packed
+			 * fcc: face centered cubic
+			 * krz/bcc body centered cubic// kubisch raumzentriert
+			 * kdp: kubisch dicht gepackt
+			 * hdp: hexagonal dicht gepackt
+			 * ccp: cubic close packed // kubisch dichteste Kugelpackung
+			 * d  : diamond
+			 * sc : simple cubic
+			 * tet: tetragonal
+			 * rh : rhombohedral
+			 * or : orthorhombic
+			 * mono: monoclinic
+			 */
+			if ( structure == "own")
+				text = i18n( "this means, the element has its 'own' structur", "own" );
+			else if ( structure == "bcc" )
+				text = i18n( "Crystalsystem body centered cubic", "bcc" );
+			else if ( structure == "hdp" )
+				text = i18n( "Crystalsystem hexagonal dense packed", "hdp" );
+			else if ( structure == "ccp" )
+				text = i18n( "Crystalsystem cubic close packed", "ccp" );
+		}
+		else
+			text = KalziumUtils::localizedValue( KalziumUtils::strippedValue( mass( ) ), 6 );
+		p->drawText( X+2,Y ,ELEMENTSIZE-4 ,h_small,Qt::AlignCenter, text );
+	}
+	
+	text = QString::number( number() );
+	p->drawText( X+2,Y+ELEMENTSIZE-h_small , ELEMENTSIZE-4, h_small,Qt::AlignCenter, text );
+	
+	p->drawRect( X, Y,ELEMENTSIZE+1,ELEMENTSIZE+1);
+}
+
+/*!
+    This looks pretty evil and it is. The problem is that a PerodicTableView is pretty
+    irregular and you cannot "calculate" the position. 
+ */
+void Element::setupXY()
+{
+ static const int posXRegular[111] = {1,18,
+	 								1,2,13,14,15,16,17,18,
+									1,2,13,14,15,16,17,18,
+ 									1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,
+ 									1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,  //Element 54 (Xe)
+									1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,     //Element 71 (Lu)
+									      4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,
+									1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,     //Element 71 (Lr)
+									      4,5,6,7,8,9,10,11};
+ static const int posYRegular[111] = {1,1,
+	 								2,2, 2, 2, 2, 2, 2, 2,
+									3,3, 3, 3, 3, 3, 3, 3,
+ 									4,4,4,4,4,4,4,4,4, 4, 4, 4, 4, 4, 4, 4, 4, 4,
+ 									5,5,5,5,5,5,5,5,5, 5, 5, 5, 5, 5, 5, 5, 5, 5,  //Element 54 (Xe)
+						    		6,6,6,8,8,8,8,8,8, 8, 8, 8, 8, 8, 8, 8, 8,     //Element 71 (Lr)
+									      6,6,6,6,6,6, 6, 6, 6, 6, 6, 6, 6, 6, 6,
+									7,7,7,9,9,9,9,9,9, 9, 9, 9, 9, 9, 9, 9, 9,
+									      7,7,7,7,7,7,7,7};
+
+ x = posXRegular[m_number-1];
+ y = posYRegular[m_number-1];
+}
+
+void Element::setRadius( RADIUSTYPE type, double value, const QString& name )
+{
+	switch ( type )
+	{
+		case ATOMIC:
+			m_RadiusAR = value;
+			break;
+		case IONIC:
+			m_RadiusIon = value;
+			m_ionvalue = name;
+			break;
+		case COVALENT:
+			m_RadiusCR = value;
+			break;
+		case VDW:
+			m_RadiusVDW = value;
+			break;
+	}
+}
+
+double Element::radius( RADIUSTYPE type )
+{
+	switch ( type )
+	{
+		case ATOMIC:
+			return m_RadiusAR;
+			break;
+		case IONIC:
+			return m_RadiusIon;
+			break;
+		case COVALENT:
+			return m_RadiusCR;
+			break;
+		case VDW:
+			return m_RadiusVDW;
+			break;
+	}
+	return 0.0;
+}
+
+int Element::xPos() const
+{
+	return ( x-1 )*ELEMENTSIZE;
+}
+
+int Element::yPos() const
+{
+	// mind the small gap over rare earth!
+	int tmp_y = ( y-1 )*ELEMENTSIZE + ELEMENTSIZE;
+
+	// 57=Lanthanum, 72=Hafnium, 89=Actinium & 104=Rutherfordium (i.e., if
+	// n_number is in rare earth's block)
+	if ( (m_number > 57 && m_number < 72) || (m_number > 89 && m_number < 104) )
+		tmp_y += ELEMENTSIZE/3;
+
+	return tmp_y;
+}
+
+QPoint Element::pos() const
+{
+	return QPoint( xPos(), yPos() );
+}
+
+QPoint Element::coords() const
+{
+	return QPoint( x, y );
+}