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author | toma <toma@283d02a7-25f6-0310-bc7c-ecb5cbfe19da> | 2009-11-25 17:56:58 +0000 |
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committer | toma <toma@283d02a7-25f6-0310-bc7c-ecb5cbfe19da> | 2009-11-25 17:56:58 +0000 |
commit | ce599e4f9f94b4eb00c1b5edb85bce5431ab3df2 (patch) | |
tree | d3bb9f5d25a2dc09ca81adecf39621d871534297 /kalzium/src/kalziumdataobject.cpp | |
download | tdeedu-ce599e4f9f94b4eb00c1b5edb85bce5431ab3df2.tar.gz tdeedu-ce599e4f9f94b4eb00c1b5edb85bce5431ab3df2.zip |
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
Diffstat (limited to 'kalzium/src/kalziumdataobject.cpp')
-rw-r--r-- | kalzium/src/kalziumdataobject.cpp | 264 |
1 files changed, 264 insertions, 0 deletions
diff --git a/kalzium/src/kalziumdataobject.cpp b/kalzium/src/kalziumdataobject.cpp new file mode 100644 index 00000000..3d1a33bf --- /dev/null +++ b/kalzium/src/kalziumdataobject.cpp @@ -0,0 +1,264 @@ +/*************************************************************************** + * Copyright (C) 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 "kalziumdataobject.h" + +#include "isotope.h" +#include "spectrum.h" + +#include <qdom.h> +#include <qfile.h> + +#include <klocale.h> +#include <kdebug.h> +#include <klocale.h> +#include <kurl.h> +#include <kstandarddirs.h> +#include <kapplication.h> + +KalziumDataObject* KalziumDataObject::instance() +{ + static KalziumDataObject kdo; + return &kdo; +} + +KalziumDataObject::KalziumDataObject() +{ + QDomDocument doc( "datadocument" ); + + KURL url; + url.setPath( locate("data", "kalzium/data/")); + url.setFileName( "data.xml" ); + QFile layoutFile( url.path() ); + + if (!layoutFile.exists()) + { + kdDebug() << "data.xml not found, exiting" << endl; + kapp->exit(0); + return; + } + + if (!layoutFile.open(IO_ReadOnly)) + { + kdDebug() << "data.xml IO-error" << endl; + return; + } + + // Check if the document is well-formed + if (!doc.setContent(&layoutFile)) + { + kdDebug() << "wrong xml" << endl; + layoutFile.close(); + return; + } + layoutFile.close(); + + ElementList = readData( doc ); + m_numOfElements = ElementList.count(); +} + +KalziumDataObject::~KalziumDataObject() +{ +} + +Element* KalziumDataObject::element( int number ) +{ + // checking that we are requesting a valid element + if ( ( number <= 0 ) || ( number > m_numOfElements ) ) + return 0; + return *( ElementList.at( number-1 ) ); +} + +EList KalziumDataObject::readData( QDomDocument &dataDocument ) +{ + EList list; + QDomNodeList elementNodes; //the list of all element + QDomElement domElement; //a single element + + //read in all elements + elementNodes = dataDocument.elementsByTagName( "element" ); + + const uint count = elementNodes.count(); + + for ( uint i = 0; i < count; ++i ) + {//iterate through all elements + domElement = ( const QDomElement& ) elementNodes.item( i ).toElement(); + + double mass = domElement.namedItem( "mass" ).toElement().text().toDouble(); + double en = domElement.namedItem( "electronegativity" ).toElement().text().toDouble(); + double ea = domElement.namedItem( "electronaffinity" ).toElement().text().toDouble(); + double mp = domElement.namedItem( "meltingpoint" ).toElement().text().toDouble(); + double bp = domElement.namedItem( "boilingpoint" ).toElement().text().toDouble(); + double density = domElement.namedItem( "density" ).toElement().text().toDouble(); + double covalent_radius = domElement.namedItem( "radius" ).namedItem( "covalent" ).toElement().text().toDouble(); + //van der Waals-Radius + double vdw_radius = domElement.namedItem( "radius" ).namedItem( "vdw" ).toElement().text().toDouble(); + double atomic_radius = domElement.namedItem( "radius" ).namedItem( "atomic" ).toElement().text().toDouble(); + double ionic_radius = domElement.namedItem( "radius" ).namedItem( "ionic" ).toElement().text().toDouble(); + QString ionic_charge = domElement.namedItem( "radius" ).namedItem( "ionic" ).toElement().attributeNode( "charge" ).value(); + + int bio = domElement.namedItem( "biologicalmeaning" ).toElement().text().toInt(); + int radioactive = domElement.namedItem( "radioactive" ).toElement().text().toInt(); + int period = domElement.namedItem( "period" ).toElement().text().toInt(); + int artificial = domElement.namedItem( "artificial" ).toElement().text().toInt(); + int date = domElement.namedItem( "date" ).toElement().text().toInt(); + int number = domElement.namedItem( "number" ).toElement().text().toInt(); + int abundance = domElement.namedItem( "abundance" ).toElement().text().toInt(); + + QString scientist = domElement.namedItem( "date" ).toElement().attributeNode( "scientist" ).value(); + QString crystal = domElement.namedItem( "crystalstructure" ).toElement().text(); + + QDomElement nameE = domElement.namedItem( "name" ).toElement(); + QString name = nameE.text(); + QString origin = i18n( nameE.attributeNode( "origin" ).value().utf8() ); + + QString block = domElement.namedItem( "block" ).toElement().text(); + QString group = domElement.namedItem( "group" ).toElement().text(); + QString family = domElement.namedItem( "family" ).toElement().text(); + QString orbits = domElement.namedItem( "orbits" ).toElement().text(); + QString symbol = domElement.namedItem( "symbol" ).toElement().text(); + QString oxydation = domElement.namedItem( "oxydation" ).toElement().text(); + QString acidicbehaviour = domElement.namedItem( "acidicbehaviour" ).toElement().text(); + + QDomNodeList elist = domElement.elementsByTagName( "energy" ); + QValueList<double> ionlist; + for( uint i = 0; i < elist.length(); i++ ) + { + ionlist.append( elist.item( i ).toElement().text().toDouble() ); + } + + //now read in all the date for the isotopes + QDomNodeList isotopelist = domElement.elementsByTagName( "isotope" ); + QValueList<Isotope*> isolist; + for( uint i = 0; i < isotopelist.length(); i++ ) + { + QDomElement iso = isotopelist.item( i ).toElement(); + double halflife = iso.attributeNode( "halflife" ).value().toDouble(); + double weight = iso.attributeNode( "weight" ).value().toDouble(); + QString format = iso.attributeNode( "halflifeformat" ).value(); + int neutrons = iso.attributeNode( "neutron" ).value().toInt(); + double percentage = iso.attributeNode( "percentage" ).value().toDouble(); + double alphapercentage = iso.attributeNode( "alphapercentage" ).value().toDouble(); + double betapluspercentage = iso.attributeNode( "betapluspercentage" ).value().toDouble(); + double betaminuspercentage = iso.attributeNode( "betaminuspercentage" ).value().toDouble(); + double ecpercentage = iso.attributeNode( "ecpercentage" ).value().toDouble(); + double alphadecay = iso.attributeNode( "alphadecay" ).value().toDouble(); + double betaplusdecay = iso.attributeNode( "betaplusdecay" ).value().toDouble(); + double betaminusdecay = iso.attributeNode( "betaminusdecay" ).value().toDouble(); + double ecdecay = iso.attributeNode( "ecdecay" ).value().toDouble(); + QString spin = iso.attributeNode( "spin" ).value(); + QString magmoment = iso.attributeNode( "magmoment" ).value(); + + + Isotope *isotope = new Isotope( neutrons, + number, + percentage, + weight, + halflife, + format, + alphadecay, + betaplusdecay, + betaminusdecay, + ecdecay, + alphapercentage, + betapluspercentage, + betaminuspercentage, + ecpercentage, + spin, + magmoment ); + isolist.append( isotope ); + } + + QDomNodeList spectrumList = domElement.namedItem( "spectra" ).toElement().elementsByTagName( "spectrum" ); + + Element *e = new Element(); + e->setDate(date); + e->setBiologicalMeaning(bio); + e->setNumber( number ); + e->setName(i18n(name.utf8())); + e->setRadius( Element::ATOMIC, atomic_radius ); + e->setRadius( Element::IONIC, ionic_radius, ionic_charge ); + e->setRadius( Element::COVALENT, covalent_radius ); + e->setRadius( Element::VDW, vdw_radius ); + e->setAbundance( abundance ); + + if ( artificial == 1 ) + e->setArtificial(); + if ( radioactive == 1 ) + e->setRadioactive(); + + e->setScientist(scientist); + e->setPeriod( period ); + e->setCrysatalstructure( crystal ); + e->setOrigin(origin); + e->setBlock(block); + e->setGroup(group); + e->setFamily(family); + e->setOrbits(orbits); + e->setSymbol(symbol); + e->setOxydation(oxydation); + e->setAcidicbehaviour(acidicbehaviour); + e->setIonisationList( ionlist ); + e->setIsotopeList( isolist ); + + e->setMass( mass ); + e->setEN( en ); + e->setEA( ea ); + e->setMeltingpoint( mp ); + e->setBoilingpoint( bp ); + e->setDensity( density ); + + e->setupXY(); + + Spectrum *spectrum = new Spectrum(); + bool spectrum_temp = false; + if ( spectrumList.length() > 0 ) + spectrum_temp = true; + for( uint i = 0; i < spectrumList.length(); i++ ) + { + Spectrum::band b; + QDomElement spec = spectrumList.item( i ).toElement(); + + b.intensity = spec.attributeNode( "intensity" ).value().toInt(); + b.wavelength = spec.attributeNode( "wavelength" ).value().toDouble()/10.0; + b.aki = spec.attributeNode( "aki" ).value().toDouble(); + b.energy1 = spec.attributeNode( "energy1" ).value().toDouble(); + b.energy2 = spec.attributeNode( "energy2" ).value().toDouble(); + b.electronconfig1 = spec.attributeNode( "electronconfig1" ).value(); + b.electronconfig2 = spec.attributeNode( "electronconfig1" ).value(); + b.term1 = spec.attributeNode( "term1" ).value(); + b.term2 = spec.attributeNode( "term2" ).value(); + b.J1 = spec.attributeNode( "J1" ).value(); + b.J2 = spec.attributeNode( "J2" ).value(); + + spectrum->addBand( b ); + } + if ( spectrum_temp ) //if no spectrumdata are found don't use this object + e->setSpectrum( spectrum ); + e->setHasSepctrum( spectrum_temp ); + + list.append( e ); + coordinate point; point.x = e->x; point.y = e->y; + CoordinateList.append( point ); + } + + return list; +} + |