/**
* A ChemicalDataObject is an object which contains information about
- * a chemical element. This can for example be a boilingpoint. The information
+ * a chemical element. This can for example be a boiling point. The information
* is stored in a QVariant.
* This class supports the CML-format defined by the BlueObelisk-Project.
*
- * @author Carsten Niehaus <cniehaus@kde.org
+ * @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
+ * 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 */,
+ 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 */,
+ electronAffinity/**< the electron affinity of the element */,
electronegativityPauling/**< the electronegativity in the definition of Pauling*/,
radiusCovalent/**< the covalent radius */,
radiusVDW/**< the van der Waals radius */
};
/**
- * public constructor
+ * Constructor.
*/
ChemicalDataObject();
/**
- * public constructor
+ * Constructor.
* @param v the data of the object
* @param type the type of the data
*/
BlueObelisk type);
/**
- * set the data of this object to @p v
+ * Set the data of this object to @p v
*/
void setData( QVariant v ){
m_value = v;
}
/**
- * public destructor
+ * Destructor.
*/
~ChemicalDataObject();
/**
* Every ChemicalDataObject contains one data. For example a
- * integer value which represents the boilingpoint. This method
- * returns the value as a QString
+ * integer value which represents the boiling point. 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.
+ * @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
+ * integer value which represents the boiling point. This method
+ * returns the value as a QVariant.
*
- * @return the value as a QVariant.
+ * @return the value as a QVariant
*/
QVariant value() const{
return m_value;
}
/**
- * Compare the value @v with the data of this object
+ * Compare the value @p v with the data of this object
*/
- bool operator== ( const int v);
+ bool operator== ( const int v );
/**
- * Compare the value @v with the data of this object
+ * Compare the value @p v with the data of this object
*/
- bool operator== ( const double v);
+ bool operator== ( const double v );
/**
- * Compare the value @v with the data of this object
+ * Compare the value @p v with the data of this object
*/
- bool operator== ( const bool v);
+ bool operator== ( const bool v );
/**
- * Compare the value @v with the data of this object
+ * Compare the value @p v with the data of this object
*/
- bool operator== ( const QString& v);
+ bool operator== ( const QString& v );
/**
- * @return the dictRef-attribut of the xml. This is an
- * identifier. For example, for the mass it is 'bo:mass'
+ * @return the dictRef attribute of the XML. This is an
+ * identifier. For example, for the mass it is "bo:mass"
*/
QString dictRef();
class Spectrum;
class Isotope;
class Element;
-class ChemicalDataObject;
typedef QList<Element*> EList;
-typedef QList<double> doubleList;
/**
* In this class all information about an element are stored. This means that
};
/**
- * add the ChemicalDataObject @p o to this Element
+ * Sdd the ChemicalDataObject @p o to this Element
* @param o the ChemicalDataObject to be added
*/
void addData( ChemicalDataObject*o ){
}
/**
- * add a ChemicalDataObject with @p value of @p type to this Element
+ * Sdd a ChemicalDataObject with @p value of @p type to this
+ * Element
* @param value the QVariant to be added
* @param type the BlueObelisk type to be added
*/
*/
ChemicalDataObject& data( ChemicalDataObject::BlueObelisk type );
+ /**
+ * @return the requested data of the type @p type as a QVariant
+ */
QVariant dataAsVariant( ChemicalDataObject::BlueObelisk type );
/**