/// <summary>
/// Finish up parsing of elements in mdmolecule.
/// </summary>
/// <param name="xpath"></param>
/// <param name="element"></param>
public override void EndElement(CMLStack xpath, XElement element)
{
if (element.Name.Equals(XName_CML_molecule))
{
// add chargeGroup, and then delete them
if (currentChargeGroup != null)
{
if (CurrentMolecule is MDMolecule)
{
((MDMolecule)CurrentMolecule).AddChargeGroup(currentChargeGroup);
}
else
{
Trace.TraceError("Need to store a charge group, but the current molecule is not a MDMolecule!");
}
currentChargeGroup = null;
}
else
// add chargeGroup, and then delete them
if (currentResidue != null)
{
if (CurrentMolecule is MDMolecule)
{
((MDMolecule)CurrentMolecule).AddResidue(currentResidue);
}
else
{
Trace.TraceError("Need to store a residue group, but the current molecule is not a MDMolecule!");
}
currentResidue = null;
}
else
{
base.EndElement(xpath, element);
}
}
else if (element.Name == XName_CML_atomArray)
{
if (xpath.Count == 2 && xpath.EndsWith("molecule", "atomArray"))
{
StoreAtomData();
NewAtomData();
}
else if (xpath.Count > 2 && xpath.EndsWith("cml", "molecule", "atomArray"))
{
StoreAtomData();
NewAtomData();
}
}
else if (element.Name == XName_CML_bondArray)
{
if (xpath.Count == 2 && xpath.EndsWith("molecule", "bondArray"))
{
StoreBondData();
NewBondData();
}
else if (xpath.Count > 2 && xpath.EndsWith("cml", "molecule", "bondArray"))
{
StoreBondData();
NewBondData();
}
}
else if (element.Name == XName_CML_scalar)
{
//Residue number
if (string.Equals("md:resNumber", DictRef, StringComparison.Ordinal))
{
int myInt = int.Parse(element.Value, NumberFormatInfo.InvariantInfo);
currentResidue.SetNumber(myInt);
}
//ChargeGroup number
else if (string.Equals("md:cgNumber", DictRef, StringComparison.Ordinal))
{
int myInt = int.Parse(element.Value, NumberFormatInfo.InvariantInfo);
currentChargeGroup.SetNumber(myInt);
}
}
else
{
base.EndElement(xpath, element);
}
}