From ce599e4f9f94b4eb00c1b5edb85bce5431ab3df2 Mon Sep 17 00:00:00 2001
From: toma <toma@283d02a7-25f6-0310-bc7c-ecb5cbfe19da>
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/spectrum.cpp | 151 +++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 151 insertions(+)
 create mode 100644 kalzium/src/spectrum.cpp

(limited to 'kalzium/src/spectrum.cpp')

diff --git a/kalzium/src/spectrum.cpp b/kalzium/src/spectrum.cpp
new file mode 100644
index 00000000..4b74eadb
--- /dev/null
+++ b/kalzium/src/spectrum.cpp
@@ -0,0 +1,151 @@
+/***************************************************************************
+ *   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;
+}
-- 
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