public override void EndElement(XElement element)
{
Debug.WriteLine($"end element: {element.ToString()}");
switch (element.Name.LocalName)
{
case "identifier":
if (tautomer != null)
{
// ok, add tautomer
setOfMolecules.Add(tautomer);
chemModel.MoleculeSet = setOfMolecules;
chemSequence.Add(chemModel);
}
break;
case "formula":
if (tautomer != null)
{
Trace.TraceInformation("Parsing <formula> chars: ", element.Value);
tautomer = CDK.Builder.NewAtomContainer(InChIContentProcessorTool.ProcessFormula(
setOfMolecules.Builder.NewAtomContainer(), element.Value));
}
else
{
Trace.TraceWarning("Cannot set atom info for empty tautomer");
}
break;
case "connections":
if (tautomer != null)
{
Trace.TraceInformation("Parsing <connections> chars: ", element.Value);
InChIContentProcessorTool.ProcessConnections(element.Value, tautomer, -1);
}
else
{
Trace.TraceWarning("Cannot set dbond info for empty tautomer");
}
break;
default:
// skip all other elements
break;
}
}
public override void EndElement(XElement element)
{
Debug.WriteLine($"end element: {element.ToString()}");
if (string.Equals("identifier", element.Name.LocalName, StringComparison.Ordinal))
{
if (tautomer != null)
{
// ok, add tautomer
setOfMolecules.Add(tautomer);
chemModel.MoleculeSet = setOfMolecules;
chemSequence.Add(chemModel);
}
}
else if (string.Equals("formula", element.Name.LocalName, StringComparison.Ordinal))
{
if (tautomer != null)
{
Trace.TraceInformation("Parsing <formula> chars: ", element.Value);
tautomer = new AtomContainer(InChIContentProcessorTool.ProcessFormula(
setOfMolecules.Builder.NewAtomContainer(), element.Value));
}
else
{
Trace.TraceWarning("Cannot set atom info for empty tautomer");
}
}
else if (string.Equals("connections", element.Name.LocalName, StringComparison.Ordinal))
{
if (tautomer != null)
{
Trace.TraceInformation("Parsing <connections> chars: ", element.Value);
InChIContentProcessorTool.ProcessConnections(element.Value, tautomer, -1);
}
else
{
Trace.TraceWarning("Cannot set dbond info for empty tautomer");
}
}
else
{
// skip all other elements
}
}
