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authortoma <toma@283d02a7-25f6-0310-bc7c-ecb5cbfe19da>2009-11-25 17:56:58 +0000
committertoma <toma@283d02a7-25f6-0310-bc7c-ecb5cbfe19da>2009-11-25 17:56:58 +0000
commitce599e4f9f94b4eb00c1b5edb85bce5431ab3df2 (patch)
treed3bb9f5d25a2dc09ca81adecf39621d871534297 /kalzium/src/spectrum.cpp
downloadtdeedu-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/spectrum.cpp')
-rw-r--r--kalzium/src/spectrum.cpp151
1 files changed, 151 insertions, 0 deletions
diff --git a/kalzium/src/spectrum.cpp b/kalzium/src/spectrum.cpp
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+/***************************************************************************
+ * 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 "spectrum.h"
+
+#include "element.h"
+
+#include <klocale.h>
+
+#include <math.h>
+
+double Spectrum::minBand()
+{
+ double value = ( *m_bandlist.begin() ).wavelength;
+ QValueList<band>::const_iterator it = m_bandlist.begin();
+ const QValueList<band>::const_iterator itEnd = m_bandlist.end();
+ for (;it!=itEnd;++it)
+ {
+ if ( value > ( *it ).wavelength )
+ value = ( *it ).wavelength;
+ }
+ return value;
+}
+
+double Spectrum::maxBand()
+{
+ double value = ( *m_bandlist.begin() ).wavelength;
+ QValueList<band>::const_iterator it = m_bandlist.begin();
+ const QValueList<band>::const_iterator itEnd = m_bandlist.end();
+ for (;it!=itEnd;++it)
+ {
+ if ( value < ( *it ).wavelength )
+ value = ( *it ).wavelength;
+ }
+ return value;
+}
+
+
+Spectrum* Spectrum::adjustToWavelength( double min, double max )
+{
+ Spectrum *spec = new Spectrum();
+
+ QValueList<band>::const_iterator it = m_bandlist.begin();
+ const QValueList<band>::const_iterator itEnd = m_bandlist.end();
+
+ for ( ; it != itEnd; ++it )
+ {
+ if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
+ continue;
+
+ spec->addBand( *it );
+ }
+
+ spec->adjustMinMax();
+
+ return spec;
+}
+
+void Spectrum::adjustIntensities()
+{
+ int maxInt = 0;
+ QValueList<band>::Iterator it = m_bandlist.begin();
+ const QValueList<band>::Iterator itEnd = m_bandlist.end();
+
+ //find the highest intensity
+ for ( ; it != itEnd; ++it )
+ {
+ if ( ( *it ).intensity > maxInt )
+ maxInt = ( *it ).intensity;
+ }
+
+ //check if an adjustment is needed or not
+ if ( maxInt == 1000 ) return;
+
+ double max = ( double ) maxInt;
+
+ //now adjust the intensities.
+ it = m_bandlist.begin();
+ for ( ; it != itEnd; ++it )
+ {
+ double curInt = ( ( double )( *it ).intensity );
+
+ double newInt = max*1000/curInt;
+ ( *it ).intensity = qRound( newInt );
+ }
+}
+
+QValueList<double> Spectrum::wavelengths( double min, double max )
+{
+ QValueList<double> list;
+
+ QValueList<band>::const_iterator it = m_bandlist.begin();
+ const QValueList<band>::const_iterator itEnd = m_bandlist.end();
+
+ for ( ; it != itEnd; ++it )
+ {
+ if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
+ continue;
+
+ list.append( ( *it ).wavelength );
+ }
+
+ return list;
+}
+
+QString Spectrum::bandsAsHtml()
+{
+ QString 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>";
+
+ html += "<table>";
+
+ QValueList<band>::const_iterator it = m_bandlist.begin();
+ const QValueList<band>::const_iterator itEnd = m_bandlist.end();
+ for (;it!=itEnd;++it)
+ {
+ html += QString( "<tr>" )
+ + "<td>" + i18n( "Wavelength: %1 nm" ).arg( ( *it ).wavelength ) + "</td>"
+ + "<td>" + i18n( "Intensity: %1" ).arg( ( *it ).intensity ) + "</td>"
+ + "<td>" + i18n( "Probability: %1 10<sup>8</sup>s<sup>-1</sup>" ).arg( ( *it ).aki ) + "</td>"
+ + "<td>" + i18n( "Energy 1: %1" ).arg( ( *it ).energy1 ) + "</td>"
+ + "<td>" + i18n( "Energy 2: %1" ).arg( ( *it ).energy2 ) + "</td>"
+ + "<td>" + i18n( "Electron Configuration 1: %1" ).arg( ( *it ).electronconfig1 ) + "</td>"
+ + "<td>" + i18n( "Electron Configuration 2: %1" ).arg( ( *it ).electronconfig2 ) + "</td>"
+ + "<td>" + i18n( "Term 1: %1" ).arg( ( *it ).term1 ) + "</td>"
+ + "<td>" + i18n( "Term 2: %1" ).arg( ( *it ).term2 ) + "</td>"
+ + "<td>" + i18n( "J 1: %1" ).arg( ( *it ).J1 ) + "</td>"
+ + "<td>" + i18n( "J 2: %1" ).arg( ( *it ).J2 ) + "</td>"
+ + "</tr>\n";
+ }
+
+ html += "</table>";
+
+ html += "</body></html>";
+ return html;
+}