#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 #include class TQPixmap; 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; TQString electronconfig1; TQString electronconfig2; TQString term1; TQString term2; TQString J1; TQString 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 TQValueList */ TQValueList 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 */ TQValueList* 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 */ TQString bandsAsHtml(); /** * @return the tqparent 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 */ TQValueList m_bandlist; /** * the cached values of the highest and lowest wavelength */ double m_max, m_min; Element* m_parentElement; }; #endif // SPECTRUM_H