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152 lines
4.9 KiB
152 lines
4.9 KiB
/***************************************************************************
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* Copyright (C) 2005 by Carsten Niehaus *
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* cniehaus@kde.org *
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* *
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* This program is free software; you can redistribute it and/or modify *
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* it under the terms of the GNU General Public License as published by *
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* the Free Software Foundation; either version 2 of the License, or *
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* (at your option) any later version. *
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* *
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* This program is distributed in the hope that it will be useful, *
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* but WITHOUT ANY WARRANTY; without even the implied warranty of *
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
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* GNU General Public License for more details. *
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* *
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* You should have received a copy of the GNU General Public License *
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* along with this program; if not, write to the *
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* Free Software Foundation, Inc., *
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* 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. *
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***************************************************************************/
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#include "spectrum.h"
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#include "element.h"
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#include <klocale.h>
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#include <math.h>
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double Spectrum::minBand()
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{
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double value = ( *m_bandlist.begin() ).wavelength;
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TQValueList<band>::const_iterator it = m_bandlist.begin();
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const TQValueList<band>::const_iterator itEnd = m_bandlist.end();
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for (;it!=itEnd;++it)
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{
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if ( value > ( *it ).wavelength )
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value = ( *it ).wavelength;
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}
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return value;
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}
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double Spectrum::maxBand()
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{
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double value = ( *m_bandlist.begin() ).wavelength;
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TQValueList<band>::const_iterator it = m_bandlist.begin();
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const TQValueList<band>::const_iterator itEnd = m_bandlist.end();
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for (;it!=itEnd;++it)
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{
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if ( value < ( *it ).wavelength )
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value = ( *it ).wavelength;
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}
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return value;
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}
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Spectrum* Spectrum::adjustToWavelength( double min, double max )
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{
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Spectrum *spec = new Spectrum();
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TQValueList<band>::const_iterator it = m_bandlist.begin();
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const TQValueList<band>::const_iterator itEnd = m_bandlist.end();
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for ( ; it != itEnd; ++it )
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{
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if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
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continue;
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spec->addBand( *it );
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}
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spec->adjustMinMax();
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return spec;
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}
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void Spectrum::adjustIntensities()
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{
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int maxInt = 0;
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TQValueList<band>::Iterator it = m_bandlist.begin();
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const TQValueList<band>::Iterator itEnd = m_bandlist.end();
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//find the highest intensity
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for ( ; it != itEnd; ++it )
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{
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if ( ( *it ).intensity > maxInt )
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maxInt = ( *it ).intensity;
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}
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//check if an adjustment is needed or not
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if ( maxInt == 1000 ) return;
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double max = ( double ) maxInt;
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//now adjust the intensities.
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it = m_bandlist.begin();
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for ( ; it != itEnd; ++it )
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{
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double curInt = ( ( double )( *it ).intensity );
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double newInt = max*1000/curInt;
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( *it ).intensity = tqRound( newInt );
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}
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}
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TQValueList<double> Spectrum::wavelengths( double min, double max )
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{
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TQValueList<double> list;
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TQValueList<band>::const_iterator it = m_bandlist.begin();
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const TQValueList<band>::const_iterator itEnd = m_bandlist.end();
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for ( ; it != itEnd; ++it )
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{
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if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
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continue;
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list.append( ( *it ).wavelength );
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}
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return list;
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}
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TQString Spectrum::bandsAsHtml()
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{
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TQString html = "<!DOCTYPE HTML PUBLIC \"-//W3C//DTD HTML 4.01 Transitional//EN\" \"http://www.w3.org/TR/html4/loose.dtd\"><html><head><title>Chemical data</title>i<body>";
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html += "<table>";
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TQValueList<band>::const_iterator it = m_bandlist.begin();
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const TQValueList<band>::const_iterator itEnd = m_bandlist.end();
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for (;it!=itEnd;++it)
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{
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html += TQString( "<tr>" )
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+ "<td>" + i18n( "Wavelength: %1 nm" ).arg( ( *it ).wavelength ) + "</td>"
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+ "<td>" + i18n( "Intensity: %1" ).arg( ( *it ).intensity ) + "</td>"
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+ "<td>" + i18n( "Probability: %1 10<sup>8</sup>s<sup>-1</sup>" ).arg( ( *it ).aki ) + "</td>"
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+ "<td>" + i18n( "Energy 1: %1" ).arg( ( *it ).energy1 ) + "</td>"
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+ "<td>" + i18n( "Energy 2: %1" ).arg( ( *it ).energy2 ) + "</td>"
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+ "<td>" + i18n( "Electron Configuration 1: %1" ).arg( ( *it ).electronconfig1 ) + "</td>"
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+ "<td>" + i18n( "Electron Configuration 2: %1" ).arg( ( *it ).electronconfig2 ) + "</td>"
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+ "<td>" + i18n( "Term 1: %1" ).arg( ( *it ).term1 ) + "</td>"
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+ "<td>" + i18n( "Term 2: %1" ).arg( ( *it ).term2 ) + "</td>"
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+ "<td>" + i18n( "J 1: %1" ).arg( ( *it ).J1 ) + "</td>"
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+ "<td>" + i18n( "J 2: %1" ).arg( ( *it ).J2 ) + "</td>"
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+ "</tr>\n";
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}
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html += "</table>";
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html += "</body></html>";
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return html;
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}
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