From 8058d32288f5c6c93fda6f34d637805dbc6712dd Mon Sep 17 00:00:00 2001
From: Carsten Niehaus <cniehaus@gmx.de>
Date: Tue, 18 Oct 2005 10:01:57 +0000
Subject: [PATCH] * Introducing ChemicalDataObject. Lets see if this new
 concept works out or not

svn path=/trunk/KDE/kdeedu/libkdeedu/; revision=471636
---
 libscience/element.cpp       |  17 ++++++
 libscience/element.h         | 105 +++++++++++++++++++++++++++++++++++
 libscience/elementparser.cpp |   1 -
 libscience/elementparser.h   |  43 +-------------
 4 files changed, 124 insertions(+), 42 deletions(-)

diff --git a/libscience/element.cpp b/libscience/element.cpp
index f6a919c..f7cc6a8 100644
--- a/libscience/element.cpp
+++ b/libscience/element.cpp
@@ -28,6 +28,8 @@
 #include <kurl.h>
 #include <kstandarddirs.h>
 
+#include <QVariant>
+
 Element::Element()
 {
 	m_radioactive = false;
@@ -266,3 +268,18 @@ double Element::radius( RADIUSTYPE type )
 	return 0.0;
 }
 
+
+ChemicalDataObject::ChemicalDataObject( QVariant v, BlueObelisk type )
+{
+	m_value = v;
+	m_type = type;
+};
+
+ChemicalDataObject::ChemicalDataObject() 
+{
+}
+
+QString ChemicalDataObject::valueAsString()
+{
+	return m_value.toString();
+}
diff --git a/libscience/element.h b/libscience/element.h
index d0bb65f..0c88c40 100644
--- a/libscience/element.h
+++ b/libscience/element.h
@@ -22,6 +22,7 @@
 
 #include <QColor>
 #include <QList>
+#include <QVariant>
 
 #include <kdemacros.h>
 
@@ -100,6 +101,10 @@ class Element{
 			return m_origin;
 		}
 
+		/**
+		 * The orbit of for example Lithium (Li) is "He 2s1"
+		 * @return the orbital structure of the element
+		 */
 		QString orbits() const{
 			return m_orbits;
 		}
@@ -478,5 +483,105 @@ class Element{
 		doubleList m_ionenergies;
 };
 
+/**
+ * @author Carsten Niehaus <cniehaus@kde.org
+ */
+class ChemicalDataObject
+{
+	public:
+		/**
+		 * The BlueObelisk-project defines in their xml-file the dataset
+		 * with the names of the enum plus 'bo:'. So for symbol
+		 * it is 'bo:symbol'. To avoid confusion I will choose the very
+		 * same naming
+		 */
+		enum BlueObelisk
+		{
+			atomicNumber = 0 /**< The atomic number of the element */,
+			symbol/**< the symbol of the element */,
+			name/**< The IUPAC-name of the element */,
+			mass/**< # IUPAC Official Masses */,
+			exactMass/**< exact masses of the most common isotopes for each element */,
+			ionization/**< First inizationenergy */,
+			electronAffinity/**< the electronaffinity of the element */,
+			electronegativityPauling/**< the electronegativity in the definition of Pauling*/,
+			radiusCovalent/**< the covalent radius */,
+			radiusVDW/**< the van der Waals radius */
+		};
+		
+		/**
+		 * public constructor
+		 */
+		ChemicalDataObject();
+
+		/**
+		 * public constructor
+		 * @param v the data of the object
+		 * @param type the type of the data
+		 */
+		ChemicalDataObject(QVariant v, 
+				BlueObelisk type);
+
+		/**
+		 * set the data of this object to @p v
+		 */
+		void setData( QVariant *v ){
+			m_value = v;
+		}
+		
+		/**
+		 * public destructor
+		 */
+		~ChemicalDataObject();
+
+		/**
+		 * Every ChemicalDataObject contains one data. For example a
+		 * integer value which represents the boilingpoint. This method
+		 * returns the value as a QString
+		 * 
+		 * For bool, the returned string will be "false" or "true"
+		 * For a QString, the QString will be returned
+		 * For a int or double, the value will be returned as a QString
+		 *
+		 * @return the value as a QString.
+		 */
+		QString valueAsString();
+		
+		/**
+		 * Every ChemicalDataObject contains one data. For example a
+		 * integer value which represents the boilingpoint. This method
+		 * returns the value as a QVariant
+		 *
+		 * @return the value as a QVariant.
+		 */
+		QVariant value() const{
+			return m_value;
+		}
+
+		/**
+		 * @return the type of dataset of this object
+		 */
+		BlueObelisk type() const{
+			return m_type;
+		}
+
+		/**
+		 * @param type the type of this object
+		 */
+		void setType( BlueObelisk type ){
+			m_type = type;
+		}
+
+		/**
+		 * @overload
+		 */
+		void setType( int type ){
+			m_type = ( BlueObelisk ) type;
+		}
+
+	private:
+		QVariant m_value;
+		BlueObelisk m_type;
+};
 
 #endif
diff --git a/libscience/elementparser.cpp b/libscience/elementparser.cpp
index b02d9f8..59ebcb3 100644
--- a/libscience/elementparser.cpp
+++ b/libscience/elementparser.cpp
@@ -19,7 +19,6 @@ email                : cniehaus@kde.org
 #include <QStringList>
 
 #include <kdebug.h>
-#include <kurl.h>
 
 ElementSaxParser::ElementSaxParser()
 : QXmlDefaultHandler(), currentElement_(0), 
diff --git a/libscience/elementparser.h b/libscience/elementparser.h
index d3123ad..af1aa5b 100644
--- a/libscience/elementparser.h
+++ b/libscience/elementparser.h
@@ -13,51 +13,12 @@
  *                                                                         *
  ***************************************************************************/
 
-#include <QString>
 #include <QList>
-#include <QStringList>
-#include <qdom.h>
 
 #include <qxml.h>
 
 class Element;
 
-//X /**
-//X  * This class gives access to the elements which are listed in a CML-file
-//X  * @author Carsten Niehaus <cniehaus@kde.org>
-//X  */
-//X class ElementParser
-//X {
-//X 	public:
-//X 		/**
-//X 		 * @return the Element with the symbol symbol
-//X 		 * @param dataDocument the document to parse
-//X 		 * @param symbol the symbol of the Element which is looked for
-//X 		 */
-//X 		static Element* loadElement( const QString& symbol, const QDomDocument& dataDocument );
-//X 		
-//X 		/**
-//X 		 * @return the element represented in the QDomeElement @p element
-//X 		 * @param element the XML-representation of the Element
-//X 		 */
-//X 		static Element* loadElement( const QDomElement& element );
-//X 
-//X 		/**
-//X 		 * @return all chemical elements in the xml-file
-//X 		 * @param dataDocument the document to parse
-//X 		 */
-//X 		static QList<Element*> loadAllElements(const QDomDocument& dataDocument);
-//X 		
-//X 	private:
-//X 		/**
-//X 		 * @return a QStringList with the symbols of all known elements
-//X 		 * @param dataDocument the document to parse
-//X 		 */
-//X 		static QStringList loadElementSymbols(const QDomDocument& dataDocument);
-//X 
-//X };
-
-
 class ElementSaxParser : public QXmlDefaultHandler
 {
 	public:
@@ -76,7 +37,7 @@ class ElementSaxParser : public QXmlDefaultHandler
 		bool inElement_;
 		bool inName_,
 			 inMass_,
-			 inSymbol_,
-			 inAtomicNumber_;
+			 inAtomicNumber_,
+			 inSymbol_;
 };
 #endif // ELEMENTPARSER_H
-- 
2.47.3