private string GetChemStructure(LiteEntity le)
{
using (new WaitCursor())
{
var securityProtocol = ServicePointManager.SecurityProtocol;
ServicePointManager.SecurityProtocol = securityProtocol | SecurityProtocolType.Tls11 | SecurityProtocolType.Tls12;
ChebiWebServiceService ws = new ChebiWebServiceService();
getCompleteEntityResponse results;
ws.Url = UserOptions.ChEBIWebServiceUri;
ws.UserAgent = "Chem4Word";
getCompleteEntity gce = new getCompleteEntity();
gce.chebiId = le.chebiId;
results = ws.getCompleteEntity(gce);
_allResults = results.@return;
var chemStructure = _allResults?.ChemicalStructures?[0]?.structure;
ServicePointManager.SecurityProtocol = securityProtocol;
return(chemStructure);
}
}
private void UpdateDisplay()
{
string module = $"{_product}.{_class}.{MethodBase.GetCurrentMethod().Name}()";
ErrorsAndWarnings.Text = "";
using (new WaitCursor())
{
var tag = ResultsListView.SelectedItems[0]?.Tag;
LiteEntity le = (LiteEntity)tag;
var chemStructure = GetChemStructure(le);
if (!string.IsNullOrEmpty(chemStructure))
{
_lastMolfile = ConvertToWindows(chemStructure);
SdFileConverter sdConverter = new SdFileConverter();
_lastModel = sdConverter.Import(chemStructure);
if (_lastModel.AllWarnings.Count > 0 || _lastModel.AllErrors.Count > 0)
{
Telemetry.Write(module, "Exception(Data)", chemStructure);
List <string> lines = new List <string>();
if (_lastModel.AllErrors.Count > 0)
{
Telemetry.Write(module, "Exception(Data)", string.Join(Environment.NewLine, _lastModel.AllErrors));
lines.Add("Errors(s)");
lines.AddRange(_lastModel.AllErrors);
}
if (_lastModel.AllWarnings.Count > 0)
{
Telemetry.Write(module, "Exception(Data)", string.Join(Environment.NewLine, _lastModel.AllWarnings));
lines.Add("Warnings(s)");
lines.AddRange(_lastModel.AllWarnings);
}
ErrorsAndWarnings.Text = string.Join(Environment.NewLine, lines);
}
ChebiId = le.chebiId;
if (_lastModel.MeanBondLength < Core.Helpers.Constants.MinimumBondLength - Core.Helpers.Constants.BondLengthTolerance ||
_lastModel.MeanBondLength > Core.Helpers.Constants.MaximumBondLength + Core.Helpers.Constants.BondLengthTolerance)
{
_lastModel.ScaleToAverageBondLength(Core.Helpers.Constants.StandardBondLength);
}
display1.Chemistry = _lastModel;
}
else
{
display1.Chemistry = null;
ErrorsAndWarnings.Text = "No structure available.";
}
EnableImport();
}
}
private string GetChemStructure(LiteEntity le)
{
using (new WaitCursor())
{
ChebiWebServiceService ws = new ChebiWebServiceService();
getCompleteEntityResponse results;
ws.Url = UserOptions.ChEBIWebServiceUri;
ws.UserAgent = "Chem4Word";
getCompleteEntity gce = new getCompleteEntity();
gce.chebiId = le.chebiId;
results = ws.getCompleteEntity(gce);
_allResults = results.@return;
var chemStructure = _allResults?.ChemicalStructures?[0]?.structure;
return(chemStructure);
}
}
