public string Serialize()
{
bool includeLabel = ClientState.MobiusClientVersionIsAtLeast(4, 1);
if (includeLabel)
{
return(Label + "\t" + MetatableRowCount.ToString() + "\t" + OracleRowCount + "\t" + Time + "\t" + MultiPivot);
}
else
{
return(MetatableRowCount.ToString() + "," + OracleRowCount + "," + Time + "," + MultiPivot);
}
}
object IInvokeServiceOps.InvokeServiceOperation(int opCode, object[] args)
{
MobiusCompoundUtilService op = (MobiusCompoundUtilService)opCode;
switch (op)
{
case MobiusCompoundUtilService.DoesCidExist:
{
string cid = (string)args[0];
string mtName = (string)args[1];
Mobius.Data.MetaTable mt = (mtName == null) ? null : Mobius.Data.MetaTableCollection.Get(mtName);
bool cidExists = Qel.CompoundIdUtil.Exists(cid, mt);
return(cidExists);
}
case MobiusCompoundUtilService.SelectMoleculeFromCid:
{
string cid = (string)args[0];
string mtName = (string)args[1];
Mobius.Data.MetaTable mt = (mtName == null) ? null : Mobius.Data.MetaTableCollection.Get(mtName);
Data.MoleculeMx nativeMolecule =
Qel.MoleculeUtil.SelectMoleculeForCid(cid, mt);
if (ClientState.MobiusClientVersionIsAtLeast(6, 0)) // Helm version or newer
{
byte[] ba = MobiusDataType.SerializeBinarySingle(nativeMolecule);
return(ba);
}
else
{
ChemicalStructure transferMolecule =
_transHelper.Convert <Mobius.Data.MoleculeMx, ChemicalStructure>(nativeMolecule);
return(transferMolecule);
}
}
case MobiusCompoundUtilService.SelectMoleculesForCidList:
{
List <string> cidList = (List <string>)args[0];
string mtName = (string)args[1];
Mobius.Data.MetaTable mt = (mtName == null) ? null : Mobius.Data.MetaTableCollection.Get(mtName);
Dictionary <string, Data.MoleculeMx> csDict =
Qel.MoleculeUtil.SelectMoleculesForCidList(cidList, mt);
return(csDict);
}
case MobiusCompoundUtilService.GetAllSaltForms:
{
string cid = (string)args[0];
string normalizedCid = Data.CompoundId.Normalize(cid);
List <string> cidList = new List <string>(new string[] { normalizedCid });
Dictionary <string, List <string> > cidDict = Qel.MoleculeUtil.GetAllSaltForms(cidList);
List <string> results = null;
if (cidDict.ContainsKey(cid))
{
results = cidDict[cid] as List <string>;
}
return(results);
}
case MobiusCompoundUtilService.GetAllSaltFormsForList:
{
List <string> cidList = (List <string>)args[0];
Dictionary <string, List <string> > allSaltIds = Qel.MoleculeUtil.GetAllSaltForms(cidList);
return(allSaltIds);
}
case MobiusCompoundUtilService.InsertSalts:
{
List <string> cidList = (List <string>)args[0];
List <string> result = Qel.MoleculeUtil.InsertSalts(cidList);
return(result);
}
case MobiusCompoundUtilService.GroupSalts:
{
List <string> cidList = (List <string>)args[0];
List <string> result = Qel.MoleculeUtil.GroupSalts(cidList);
return(result);
}
case MobiusCompoundUtilService.ValidateList:
{
string listText = (string)args[0];
string rootTableName = (string)args[1];
string result = Qel.CompoundIdUtil.ValidateList(listText, rootTableName);
return(result);
}
case MobiusCompoundUtilService.GetRelatedCompoundIds:
{
StructureSearchType searchTypes = // default for old client that doesn't supply this parm
StructureSearchType.FullStructure |
StructureSearchType.MolSim |
StructureSearchType.MatchedPairs |
StructureSearchType.SmallWorld;
int argIdx = 0;
string cid = (string)args[argIdx++];
string mtName = (string)args[argIdx++];
string chime = (string)args[argIdx++];
if (args.Length > 4)
{
searchTypes = (StructureSearchType)args[argIdx++];
}
int searchId = (int)args[argIdx++];
string result = Qel.MoleculeUtil.GetRelatedMatchCounts(cid, mtName, chime, searchTypes, searchId);
return(result);
}
case MobiusCompoundUtilService.GetRelatedStructures:
{
string cid = (string)args[0];
string mtName = (string)args[1];
string result = Qel.MoleculeUtil.GetRelatedMatchRowsSerialized(cid, mtName);
return(result);
}
case MobiusCompoundUtilService.ExecuteSmallWorldPreviewQuery:
{
string serializedQuery = (string)args[0];
object[] oa = Qel.MoleculeUtil.ExecuteSmallWorldPreviewQuerySerialized(serializedQuery);
return(oa);
}
}
return(null);
}
