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#ifndef SPECTRUM_H
#define SPECTRUM_H
/***************************************************************************
* Copyright (C) 2005 by Carsten Niehaus *
* [email protected] *
*
* *
* 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 <tqstring.h>
#include <tqvaluelist.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;
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<double>
*/
TQValueList<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
*/
TQValueList<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
*/
TQString 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
*/
TQValueList<band> m_bandlist;
/**
* the cached values of the highest and lowest wavelength
*/
double m_max, m_min;
Element* m_parentElement;
};
#endif // SPECTRUM_H
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