make Spectrum::band a class, not a struct and convert the using classes

svn path=/trunk/KDE/kdeedu/kalzium/src/spectrum.h; revision=468561

diff --git a/kalzium/src/spectrum.cpp b/kalzium/src/spectrum.cpp
index d24e699edfe00547bea8b1a54835468f1ffd0e9b..99a7199d2d6b3f42733f2e4897179837069a4891 100644 (file)
--- a/kalzium/src/spectrum.cpp
+++ b/kalzium/src/spectrum.cpp
@@ -27,26 +27,26 @@
 
 double Spectrum::minBand()
 {
-       double value = ( *m_bandlist.begin() ).wavelength;
-       QList<band>::const_iterator it = m_bandlist.begin();
-       const QList<band>::const_iterator itEnd = m_bandlist.end();
+       double value = ( *m_bandlist.begin() )->wavelength;
+       QList<band*>::const_iterator it = m_bandlist.begin();
+       const QList<band*>::const_iterator itEnd = m_bandlist.end();
        for (;it!=itEnd;++it)
        {
-               if ( value > ( *it ).wavelength )
-                       value = ( *it ).wavelength;
+               if ( value > ( *it )->wavelength )
+                       value = ( *it )->wavelength;
        }
        return value;
 }
 
 double Spectrum::maxBand()
 {
-       double value = ( *m_bandlist.begin() ).wavelength;
-       QList<band>::const_iterator it = m_bandlist.begin();
-       const QList<band>::const_iterator itEnd = m_bandlist.end();
+       double value = ( *m_bandlist.begin() )->wavelength;
+       QList<band*>::const_iterator it = m_bandlist.begin();
+       const QList<band*>::const_iterator itEnd = m_bandlist.end();
        for (;it!=itEnd;++it)
        {
-               if ( value < ( *it ).wavelength )
-                       value = ( *it ).wavelength;
+               if ( value < ( *it )->wavelength )
+                       value = ( *it )->wavelength;
        }
        return value;
 }
@@ -56,12 +56,12 @@ Spectrum* Spectrum::adjustToWavelength( double min, double max )
 {
        Spectrum *spec = new Spectrum();
 
-       QList<band>::const_iterator it = m_bandlist.begin();
-       const QList<band>::const_iterator itEnd = m_bandlist.end();
+       QList<band*>::const_iterator it = m_bandlist.begin();
+       const QList<band*>::const_iterator itEnd = m_bandlist.end();
 
        for ( ; it != itEnd; ++it )
        {
-               if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
+               if ( ( *it )->wavelength < min || ( *it )->wavelength > max )
                        continue;
 
                spec->addBand( *it );
@@ -75,14 +75,14 @@ Spectrum* Spectrum::adjustToWavelength( double min, double max )
 void Spectrum::adjustIntensities()
 {
        int maxInt = 0;
-       QList<band>::Iterator it = m_bandlist.begin();
-       const QList<band>::Iterator itEnd = m_bandlist.end();
+       QList<band*>::Iterator it = m_bandlist.begin();
+       const QList<band*>::Iterator itEnd = m_bandlist.end();
 
        //find the highest intensity
        for ( ; it != itEnd; ++it )
        {
-               if ( ( *it ).intensity > maxInt )
-                       maxInt = ( *it ).intensity;
+               if ( ( *it )->intensity > maxInt )
+                       maxInt = ( *it )->intensity;
        }
 
        //check if an adjustment is needed or not
@@ -94,10 +94,10 @@ void Spectrum::adjustIntensities()
        it = m_bandlist.begin();
        for ( ; it != itEnd; ++it )
        {
-               double curInt = ( ( double )( *it ).intensity );
+               double curInt = ( ( double )( *it )->intensity );
                
                double newInt = max*1000/curInt;
-               ( *it ).intensity = ( int ) round( newInt );
+               ( *it )->intensity = ( int ) round( newInt );
        }
 }
 
@@ -105,15 +105,15 @@ QList<double> Spectrum::wavelengths( double min, double max )
 {
        QList<double> list;
        
-       QList<band>::const_iterator it = m_bandlist.begin();
-       const QList<band>::const_iterator itEnd = m_bandlist.end();
+       QList<band*>::const_iterator it = m_bandlist.begin();
+       const QList<band*>::const_iterator itEnd = m_bandlist.end();
 
        for ( ; it != itEnd; ++it )
        {
-               if ( ( *it ).wavelength < min || ( *it ).wavelength > max )
+               if ( ( *it )->wavelength < min || ( *it )->wavelength > max )
                        continue;
 
-               list.append( ( *it ).wavelength );
+               list.append( ( *it )->wavelength );
        }
 
        return list;
@@ -125,22 +125,22 @@ QString Spectrum::bandsAsHtml()
 
        html += "<table>";
        
-       QList<band>::const_iterator it = m_bandlist.begin();
-       const QList<band>::const_iterator itEnd = m_bandlist.end();
+       QList<band*>::const_iterator it = m_bandlist.begin();
+       const QList<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>"
+                    + "<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";
        }
 
@@ -149,3 +149,4 @@ QString Spectrum::bandsAsHtml()
        html += "</body></html>";
        return html;
 }
+

diff --git a/kalzium/src/spectrum.h b/kalzium/src/spectrum.h
index 2811f94fc0019276e552aa8c13155958ffcf31ee..8ef4774e65c9d7237878194874de66578f06ee98 100644 (file)
--- a/kalzium/src/spectrum.h
+++ b/kalzium/src/spectrum.h
@@ -47,9 +47,18 @@ class Spectrum
                /**
                 * a band is one line in the spectrum of an element
                 */
-               struct band
+               class band
                {
-                       ///in nm)
+                       public:
+                               band(){
+                                       wavelength = -1.0;
+                                       aki = -1.0;
+                                       energy1 = -1.0;
+                                       energy2 = -1.0;
+                                       intensity = -1;
+                               }
+
+                       ///in nm
                        double wavelength;
 
                        ///Transition Probabilities
@@ -77,8 +86,9 @@ class Spectrum
                 * adds the band @p b to the internal
                 * lists of bands
                 */
-               void addBand( band b ){
-                       m_bandlist.append( b );
+               void addBand( Spectrum::band* b ){
+                       if ( b )
+                               m_bandlist.append( b );
                }
 
                /**
@@ -123,9 +133,13 @@ class Spectrum
                /**
                 * @return the list of bands of the spectrum
                 */
-               QList<band> bandlist(){
+               QList<Spectrum::band*> bandlist(){
                        return m_bandlist;
                }
+               
+               QList<Spectrum::band*> bandList(){
+                       return bandlist();
+               }
        
                /**
                 * cache the values of the biggest and
@@ -161,7 +175,7 @@ class Spectrum
                /**
                 * the internal dataset
                 */
-               QList<band> m_bandlist;
+               QList<band*> m_bandlist;
 
                /**
                 * the cached values of the highest and lowest wavelength