/// <summary>
/// Select a MoleculeMx object for a compound id
/// </summary>
/// <param name="cid"></param>
/// <param name="mt"></param>
/// <returns></returns>
public static MoleculeMx SelectMoleculeForCid(
string cid,
MetaTable mt = null)
{
MoleculeMx mol = null;
Stopwatch sw = Stopwatch.StartNew();
mol = MoleculeCache.Get(cid); // see if molecule in cache
if (mol != null)
{
return(mol);
}
if (ServiceFacade.UseRemoteServices)
{
string mtName = mt?.Name;
Mobius.Services.Native.INativeSession nativeClient = ServiceFacade.CreateNativeSessionProxy();
Services.Native.NativeMethodTransportObject resultObject =
ServiceFacade.InvokeNativeMethod(nativeClient,
(int)Services.Native.ServiceCodes.MobiusCompoundUtilService,
(int)Services.Native.ServiceOpCodes.MobiusCompoundUtilService.SelectMoleculeFromCid,
new Services.Native.NativeMethodTransportObject(new object[] { cid, mtName })); // , setStereoChemistryComments
((System.ServiceModel.IClientChannel)nativeClient).Close();
if (resultObject == null)
{
return(null);
}
byte[] ba = resultObject.Value as byte[];
if (ba != null && ba.Length > 0)
{
MobiusDataType mdt = MobiusDataType.DeserializeBinarySingle(ba);
mol = mdt as MoleculeMx;
}
}
else
{
mol = QEL.MoleculeUtil.SelectMoleculeForCid(cid, mt);
}
if (MoleculeMx.IsDefined(mol))
{
bool isUcdb = (mt != null && mt.Root.IsUserDatabaseStructureTable); // user compound database
if (!isUcdb)
{
MoleculeCache.AddMolecule(cid, mol); // add to cache
}
}
long ms = sw.ElapsedMilliseconds;
return(mol);
}
private void ViewMoleculeInNewWindowMenuItem_Click(object sender, EventArgs e)
{
int gri = MoleculeGrid.LastMouseDownRowIdx;
if (gri < 0 || gri >= StructureList.Count)
{
return;
}
MoleculeListItem sli = StructureList[gri];
if (!MoleculeMx.IsDefined(sli.Molecule))
{
return;
}
MoleculeViewer.ShowMolecule(sli.Molecule);
return;
}