private ChemicalName XmlToName(XElement cmlElement)
{
// Example: <name id="m1.n1" dictRef="pubchem:cid">241</name>
ChemicalName n = new ChemicalName();
n.Id = cmlElement.Attribute("id")?.Value;
if (cmlElement.Attribute("dictRef") == null)
{
n.DictRef = "chem4word:Synonym";
}
else
{
n.DictRef = cmlElement.Attribute("dictRef")?.Value;
}
// Correct import from legacy Add-In
if (string.IsNullOrEmpty(n.DictRef) || n.DictRef.Equals("nameDict:unknown"))
{
n.DictRef = "chem4word:Synonym";
}
n.Name = cmlElement.Value;
return(n);
}
public XElement GetXElement(ChemicalName name)
{
XElement result = new XElement(CML.cml + "name", name.Name);
if (name.Id != null)
{
result.Add(new XAttribute("id", name.Id));
}
if (name.DictRef != null)
{
result.Add(new XAttribute("dictRef", name.DictRef));
}
return(result);
}
private void OnAddNameClick(object sender, EventArgs e)
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
Globals.Chem4WordV3.Telemetry.Write(module, "Action", "Triggered");
try
{
ChemicalName n = new ChemicalName();
n.DictRef = Constants.Chem4WordUserSynonym;
n.Name = "";
n.Id = $"{Molecule.Id}.n{++_maxNameId}";
Molecule.ChemicalNames.Add(n);
RefreshNamesPanel();
}
catch (Exception ex)
{
new ReportError(Globals.Chem4WordV3.Telemetry, Globals.Chem4WordV3.WordTopLeft, module, ex).ShowDialog();
}
}
public override SdfState ImportFromStream(StreamReader reader, Molecule molecule, out string message)
{
message = null;
_molecule = molecule;
SdfState result = SdfState.Null;
try
{
bool isFormula = false;
string internalName = "";
while (!reader.EndOfStream)
{
string line = reader.ReadLine();
if (!string.IsNullOrEmpty(line))
{
if (line.Equals(MDLConstants.SDF_END))
{
// End of SDF Section
result = SdfState.EndOfData;
break;
}
if (line.StartsWith(">"))
{
// Clear existing Property Name
internalName = string.Empty;
// See if we can find the property in our translation table
foreach (var property in _propertyTypes)
{
if (line.Equals(property.ExternalName))
{
isFormula = property.IsFormula;
internalName = property.InternalName;
break;
}
}
}
else
{
// Property Data
if (!string.IsNullOrEmpty(internalName))
{
if (isFormula)
{
var formula = new Formula();
formula.Convention = internalName;
formula.Inline = line;
_molecule.Formulas.Add(formula);
}
else
{
var name = new ChemicalName();
name.DictRef = internalName;
name.Name = line;
_molecule.ChemicalNames.Add(name);
}
}
}
}
else
{
internalName = string.Empty;
}
}
}
catch (System.Exception ex)
{
Debug.WriteLine(ex.Message);
result = SdfState.Error;
}
return(result);
}
