From ce599e4f9f94b4eb00c1b5edb85bce5431ab3df2 Mon Sep 17 00:00:00 2001 From: toma Date: Wed, 25 Nov 2009 17:56:58 +0000 Subject: 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 --- kalzium/src/element.cpp | 548 ++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 548 insertions(+) create mode 100644 kalzium/src/element.cpp (limited to 'kalzium/src/element.cpp') 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 +#include +#include +#include +#include + +#include +#include +#include +#include + +Element::Element() +{ + m_radioactive = false; + m_artificial = false; + m_abundance = 0; +} + +Isotope* Element::isotopeByNucleons( int numberOfNucleons ) +{ + QValueList::ConstIterator it = m_isotopeList.begin(); + const QValueList::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\\2"); //superscript around electron number + orbits.replace(rxb,"\\1 "); //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/cm3" ).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 ); +} -- cgit v1.2.1