public bool TryGetElement(string elementSymbol, out Element element)
{
return _elements.TryGetValue(elementSymbol, out element);
}
/// <summary>
/// Adds an element to this periodic table if the element atomic symbol is not already present.
/// Overrides an element if the symbol is already present.
/// </summary>
/// <param name="element">The element to add to the periodic table</param>
/// <returns>True if the element was not present before, false if the element existed and was overwritten</returns>
public bool AddElement(Element element)
{
if (_elements.ContainsKey(element.AtomicSymbol))
{
_elements[element.AtomicSymbol] = element;
return false;
}
_elements.Add(element.AtomicSymbol, element);
// Special case for Deuterium
if (element.AtomicSymbol == "H")
{
_elements.Add("D", element);
}
return true;
}
/// <summary>
/// Load a xml file containing elemental and isotopic data into the periodic table
/// </summary>
public void LoadElements(Stream elementsListXml)
{
using (XmlReader reader = XmlReader.Create(elementsListXml))
{
reader.ReadToFollowing("PeriodicTable");
_uniqueId = int.Parse(reader.GetAttribute("defaultID"));
int isotopes = int.Parse(reader.GetAttribute("isotopesCount"));
_isotopes = new Isotope[isotopes];
while (reader.ReadToFollowing("Element"))
{
reader.ReadToFollowing("Name");
string name = reader.ReadElementContentAsString();
reader.ReadToFollowing("Symbol");
string symbol = reader.ReadElementContentAsString();
reader.ReadToFollowing("AtomicNumber");
int atomicnumber = reader.ReadElementContentAsInt();
reader.ReadToFollowing("ValenceElectrons");
int valenceElectrons = reader.ReadElementContentAsInt();
Element element = new Element(name, symbol, atomicnumber, valenceElectrons);
bool isStartNode = reader.ReadToNextSibling("Isotope");
while(isStartNode)
{
string unqiueId = reader.GetAttribute("uniqueID");
reader.ReadToFollowing("Mass");
double mass = reader.ReadElementContentAsDouble();
reader.ReadToFollowing("MassNumber");
int massNumber = reader.ReadElementContentAsInt();
reader.ReadToFollowing("RelativeAbundance");
float abundance = reader.ReadElementContentAsFloat();
if (abundance > 0)
{
Isotope isotope = element.AddIsotope(massNumber, mass, abundance);
if (unqiueId != null)
{
int uniqueId = int.Parse(unqiueId);
isotope.UniqueId = uniqueId;
_isotopes[uniqueId] = isotope;
}
else
{
isotope.UniqueId = _uniqueId;
_isotopes[_uniqueId++] = isotope;
}
}
if (!reader.IsStartElement("Isotope"))
isStartNode = reader.ReadToNextSibling("Isotope");
}
AddElement(element);
}
}
if(_isotopes.Length != _uniqueId)
Array.Resize(ref _isotopes, _uniqueId);
}
/// <summary>
/// Load a xml file containing elemental and isotopic data into the periodic table
/// </summary>
public static void Load(string filePath)
{
_elements.Clear();
Element element = null;
_isotopes = new Isotope[500];
BiggestIsotopeNumber = -1;
using (XmlReader reader = XmlReader.Create(filePath))
{
while (reader.Read())
{
if (!reader.IsStartElement())
continue;
switch (reader.Name)
{
case "Element":
string name = reader["Name"];
string symbol = reader["Symbol"];
int atomicnumber = int.Parse(reader["AtomicNumber"]);
int valenceElectrons = int.Parse(reader["ValenceElectrons"]);
element = new Element(name, symbol, atomicnumber, valenceElectrons);
AddElement(element);
break;
case "Isotope":
string unqiueId = reader["Id"];
string a = reader["Mass"];
double mass = double.Parse(reader["Mass"], CultureInfo.CurrentCulture);
int massNumber = int.Parse(reader["MassNumber"]);
float abundance = float.Parse(reader["Abundance"], CultureInfo.CurrentCulture);
if (abundance > 0 && element != null)
{
Isotope isotope = element.AddIsotope(massNumber, mass, abundance);
if (unqiueId != null)
{
int uniqueId = int.Parse(unqiueId);
if (uniqueId > BiggestIsotopeNumber)
BiggestIsotopeNumber = uniqueId;
isotope.UniqueId = uniqueId;
_isotopes[uniqueId] = isotope;
}
else
{
isotope.UniqueId = BiggestIsotopeNumber;
_isotopes[BiggestIsotopeNumber++] = isotope;
}
}
break;
}
}
}
if (_isotopes.Length > BiggestIsotopeNumber)
Array.Resize(ref _isotopes, BiggestIsotopeNumber + 1);
}
