From: Carsten Niehaus <cniehaus@gmx.de>
Date: Sat, 21 May 2005 09:56:27 +0000 (+0000)
Subject: Make the ionisationenergies work again. No many how many ion.energies
X-Git-Tag: v3.80.2~300^2~147
X-Git-Url: https://git.rmz.fi/?a=commitdiff_plain;h=22771fb60cd75b05517b800c4cedcef0363834f6;p=libqmvoc.git

Make the ionisationenergies work again. No many how many ion.energies
Kalzium knows about :-)

svn path=/trunk/KDE/kdeedu/kalzium/src/element.cpp; revision=416353
---

diff --git a/kalzium/src/element.cpp b/kalzium/src/element.cpp
index a493b3d..a8e14ff 100644
--- a/kalzium/src/element.cpp
+++ b/kalzium/src/element.cpp
@@ -83,37 +83,33 @@ double Element::meanweight()
 	return m_weight/m_number;
 }
 
-const QString Element::adjustUnits( const int type )
+const QString Element::adjustUnits( const int type, double value )
 {
 	QString v = QString::null;
-
-	double val = 0.0; //the value to convert
-	
-	if ( type == IE || type == IE2 ) //an ionization energy
+	if ( type == IE  ) //an ionization energy
 	{
-		if ( type == IE )
-			val = ie();
-		else
-			val = ie2();
-	
-		if ( val == -1 )
-			v = i18n( "Value unknown" );
-		else 
+		if ( Prefs::energies() == 0 )
 		{
-			if ( Prefs::energies() == 0 )
-			{
-				val*=96.6;
-				v = QString::number( val );
-				v.append( "kJ/mol" );
-			}
-			else // use electronvolt
-			{
-				v = QString::number( val );
-				v.append( "eV" );
-			}
+			value*=96.6;
+			v = QString::number( value );
+			v.append( "kJ/mol" );
+		}
+		else // use electronvolt
+		{
+			v = QString::number( value );
+			v.append( "eV" );
 		}
 	}
-	else if ( type == BOILINGPOINT || type == MELTINGPOINT ) // convert a temperature
+	return v;
+}
+
+const QString Element::adjustUnits( const int type )
+{
+	QString v = QString::null;
+
+	double val = 0.0; //the value to convert
+	
+	if ( type == BOILINGPOINT || type == MELTINGPOINT ) // convert a temperature
 	{
 		if ( type == BOILINGPOINT )
 			val = boiling();
@@ -442,7 +438,7 @@ KalziumDataObject::KalziumDataObject()
 	}
 
 	if (!layoutFile.open(IO_ReadOnly))
-		KMessageBox::information( 0, i18n("data.xml io-errro"), i18n( "Loading File - IO_ReadOnly" ) );
+		KMessageBox::information( 0, i18n("data.xml IO-error"), i18n( "Loading File - IO_ReadOnly" ) );
 
 	///Check if document is well-formed
 	if (!doc.setContent(&layoutFile))
@@ -502,6 +498,13 @@ EList KalziumDataObject::readData(  QDomDocument &dataDocument )
 		QString oxydation = domElement.namedItem( "oxydation" ).toElement().text();
 		QString acidicbehaviour = domElement.namedItem( "acidicbehaviour" ).toElement().text();
 		QString isotopes = domElement.namedItem( "isotopes" ).toElement().text();
+
+		QDomNodeList elist = domElement.elementsByTagName( "energy" );
+		QValueList<double> ionlist;
+		for( uint i = 0; i < elist.length(); i++ )
+		{
+			ionlist.append( elist.item( i ).toElement().text().toDouble() );
+		}
 	
 		Element *e = new Element();
 		e->setDate(date);
@@ -519,6 +522,7 @@ EList KalziumDataObject::readData(  QDomDocument &dataDocument )
 		e->setOxydation(oxydation);
 		e->setAcidicbehaviour(acidicbehaviour);
 		e->setIsotopes(isotopes);
+		e->setIonisationList( ionlist );
 		
 		e->setWeight( weight );	
 		e->setEN( en );
diff --git a/kalzium/src/element.h b/kalzium/src/element.h
index 11eaf9d..cbe74a8 100644
--- a/kalzium/src/element.h
+++ b/kalzium/src/element.h
@@ -33,6 +33,7 @@ struct coordinate;
 
 typedef QValueList<Element*> EList;
 typedef QValueList<coordinate> CList;
+typedef QValueList<double> doubleList;
 
 /**
  * @short this class contains all Element-objects as
@@ -104,6 +105,14 @@ class Element{
 		void setOxydation( QString value ) { m_oxstage = value; }
 		void setAcidicbehaviour( QString value ) { m_acidbeh = value; }
 		void setIsotopes( QString value ) { m_isotopes = value; }
+
+		void setIonisationList( doubleList l ){
+			m_ionenergies = l;
+		}
+
+		QValueList<double> ionisationList() const{
+			return m_ionenergies;
+		}
 		
 		
 		/**
@@ -278,6 +287,11 @@ class Element{
 		 */
 		const QString adjustUnits( const int type );
 
+		/**
+		 * needed for values stored in a QValueList<double>
+		 */
+		const QString adjustUnits( const int type, double value );
+
 		/**
 		 * missing
 		 */
@@ -342,6 +356,8 @@ class Element{
 			m_orbits,
 			m_isotopes,
 			m_scientist;
+
+		doubleList m_ionenergies;
 		
 	public:
 		/**