/// <summary>
/// This is a Class designed to convert raw values into element objects (including masses and isotope abundances)
/// and create an element dictionary searchable by key string such as "C" for carbon.
/// </summary>
public override void LoadLibrary()
{
m_symbolToCompoundMap = new Dictionary <string, Element>();
m_enumToSymbolMap = new Dictionary <ElementName, string>();
ResolveUNCPath.MappedDriveResolver uncPathCheck = new ResolveUNCPath.MappedDriveResolver();
string asemblyDirectoryOrUNCDirectory = uncPathCheck.ResolveToUNC(PathUtilities.AssemblyDirectory);
FileInfo constantsFileInfo = new FileInfo(System.IO.Path.Combine(asemblyDirectoryOrUNCDirectory, OMICS_ELEMENT_DATA_FILE));
//FileInfo constantsFileInfo = new FileInfo(System.IO.Path.Combine(PathUtil.AssemblyDirectory, OMICS_ELEMENT_DATA_FILE));
List <string> elementSymbolList = new List <string>();
List <Element> elementList = new List <Element>();
if (constantsFileInfo.Exists)
{
try
{
LoadXML(constantsFileInfo.FullName, out elementSymbolList, out elementList);
}
catch
{
LoadHardCoded(out elementSymbolList, out elementList);
}
}
else
{
LoadHardCoded(out elementSymbolList, out elementList);
}
//if there is no file load from code
if (elementSymbolList.Count == 0)//file did not work
{
LoadHardCoded(out elementSymbolList, out elementList);
}
if (elementSymbolList.Count == 0)//we still failed
{
throw new FileNotFoundException("The " + OMICS_ELEMENT_DATA_FILE + " file cannot be found at " + constantsFileInfo.FullName);
}
for (int i = 0; i < elementSymbolList.Count; i++)
{
m_symbolToCompoundMap.Add(elementSymbolList[i], elementList[i]);
}
int counter = 0;
foreach (ElementName enumElement in Enum.GetValues(typeof(ElementName)))
{
m_enumToSymbolMap.Add(enumElement, elementList[counter].Symbol);
counter++;
}
}
public void LoadPeriodicDableFromDiskOrCode()
{
Stopwatch stopWatch = new Stopwatch();
stopWatch.Start();
string OMICS_ELEMENT_DATA_FILE = "PNNLOmicsElementData.xml";
ResolveUNCPath.MappedDriveResolver uncPathCheck = new ResolveUNCPath.MappedDriveResolver();
string asemblyDirectoryOrUNCDirectory = uncPathCheck.ResolveToUNC(PathUtilities.AssemblyDirectory);
FileInfo constantsFileInfo = new FileInfo(System.IO.Path.Combine(asemblyDirectoryOrUNCDirectory, OMICS_ELEMENT_DATA_FILE));
ElementLibrary libraryLoad = new ElementLibrary();
List <string> elementSymbolList = new List <string>();
List <Element> elementList = new List <Element>();
Assert.IsTrue(constantsFileInfo.Exists);
if (constantsFileInfo.Exists)
{
try
{
libraryLoad.LoadXML(constantsFileInfo.FullName, out elementSymbolList, out elementList);
}
catch
{
//file missing
}
}
Assert.AreEqual(elementList.Count, 104);
Assert.AreEqual(elementSymbolList.Count, 104);
Assert.AreEqual(elementList[50].MassAverage, 121.76);
Assert.AreEqual(elementSymbolList[50], "Sb");
elementSymbolList = null;
elementList = null;
libraryLoad.LoadHardCoded(out elementSymbolList, out elementList);
Assert.AreEqual(elementList.Count, 104);
Assert.AreEqual(elementSymbolList.Count, 104);
Assert.AreEqual(elementList[50].MassAverage, 121.76);
Assert.AreEqual(elementSymbolList[50], "Sb");
stopWatch.Stop();
Console.WriteLine("This took " + stopWatch.Elapsed + "seconds to Load and initialize the library twice");
}
