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Diffstat (limited to 'kalzium/src/spectrum.h')
| -rw-r--r-- | kalzium/src/spectrum.h | 174 |
1 files changed, 174 insertions, 0 deletions
diff --git a/kalzium/src/spectrum.h b/kalzium/src/spectrum.h new file mode 100644 index 00000000..7578973d --- /dev/null +++ b/kalzium/src/spectrum.h @@ -0,0 +1,174 @@ +#ifndef SPECTRUM_H +#define SPECTRUM_H +/*************************************************************************** + * 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 <qstring.h> +#include <qvaluelist.h> + +class QPixmap; +class Element; + +/** + * @author Carsten Niehaus + * + * This class represents an spectrum with all its properties + */ +class Spectrum +{ + public: + /** + * This spectrum doesn't belong to any element + */ + Spectrum(){} + + /** + * public destructor + */ + ~Spectrum(){} + + /** + * a band is one line in the spectrum of an element + */ + struct band + { + ///in nm) + double wavelength; + + ///Transition Probabilities + ///10^8s-1 (1000000000 per second) + double aki; + + ///number of energylevels per centimeter + double energy1; + + ///number of energylevels per centimeter + double energy2; + + ///relative. The highest is per definition 1000 + int intensity; + + QString electronconfig1; + QString electronconfig2; + QString term1; + QString term2; + QString J1; + QString J2; + }; + + /** + * adds the band @p b to the internal + * lists of bands + */ + void addBand( band b ){ + m_bandlist.append( b ); + } + + /** + * @param min the lowest allowed wavalength in nanometer + * @param max the highest allowed wavalength in nanometer + * + * @returns a spectrum with the wavelength in the range + * of @p min to @p max. The intensities are readjusted + * so that the biggest intensity is again 1000 and the + * others are adopted. + */ + Spectrum* adjustToWavelength( double min, double max ); + + /** + * sets the highest intensity to 1000 and adjusts the + * others + */ + void adjustIntensities(); + + /** + * @param min the lowest allowed wavalength in nanometer + * @param max the highest allowed wavalength in nanometer + * + * @return the wavelength in a QValueList<double> + */ + QValueList<double> wavelengths( double min, double max ); + + /** + * @return the smallest wavelength + */ + double min() const{ + return m_min; + } + + /** + * @return the highest wavelength + */ + double max() const{ + return m_max; + } + + /** + * @return the list of bands of the spectrum + */ + QValueList<band>* bandlist(){ + return &m_bandlist; + } + + /** + * cache the values of the biggest and + * smallest wavelenght + */ + void adjustMinMax(){ + m_min = minBand(); + m_max = maxBand(); + } + + /** + * @return the data of a spectrum as HTML code + */ + QString bandsAsHtml(); + + /** + * @return the parent element of this spectrum + */ + Element* parentElement() + { return m_parentElement; } + + private: + /** + * @return the smallest wavelength + */ + double minBand(); + + /** + * @return the biggest wavelength + */ + double maxBand(); + + /** + * the internal dataset + */ + QValueList<band> m_bandlist; + + /** + * the cached values of the highest and lowest wavelength + */ + double m_max, m_min; + + Element* m_parentElement; +}; +#endif // SPECTRUM_H |