public CswNbtWebServiceMols.StructureSearchDataReturn runStructureSearch(StructureSearchViewData SSViewData)
{
CswNbtWebServiceMols.StructureSearchDataReturn Ret = new CswNbtWebServiceMols.StructureSearchDataReturn();
var SvcDriver = new CswWebSvcDriver <CswNbtWebServiceMols.StructureSearchDataReturn, StructureSearchViewData>(
CswWebSvcResourceInitializer: new CswWebSvcResourceInitializerNbt(_Context, null),
ReturnObj: Ret,
WebSvcMethodPtr: CswNbtWebServiceMols.RunStructureSearch,
ParamObj: SSViewData
);
SvcDriver.run();
return(Ret);
}
public static void RunStructureSearch(ICswResources CswResources, StructureSearchDataReturn Return, StructureSearchViewData StructureSearchData)
{
CswNbtResources NbtResources = (CswNbtResources)CswResources;
string molData = StructureSearchData.molString;
bool exact = StructureSearchData.exact;
Collection <CswPrimaryKey> results = new Collection <CswPrimaryKey>();
//If the DirectStructureSearch module is enabled, use AcclDirect to run a search. Otherwise use the legacy code
if (NbtResources.Modules.IsModuleEnabled(CswEnumNbtModuleName.DirectStructureSearch))
{
DataTable resultsTbl = NbtResources.AcclDirect.RunStructureSearch(molData, exact);
foreach (DataRow row in resultsTbl.Rows)
{
results.Add(new CswPrimaryKey("nodes", CswConvert.ToInt32(row["nodeid"])));
}
}
else
{
Dictionary <int, string> resultsDict = NbtResources.StructureSearchManager.RunSearch(molData, exact);
foreach (int nodeidPk in resultsDict.Keys)
{
results.Add(new CswPrimaryKey("nodes", nodeidPk));
}
}
CswNbtView searchView = new CswNbtView(NbtResources);
searchView.SetViewMode(CswEnumNbtViewRenderingMode.Table);
searchView.Category = "Recent";
searchView.ViewName = "Structure Search Results";
if (results.Count > 0)
{
CswNbtMetaDataObjectClass materialOC = NbtResources.MetaData.getObjectClass(CswEnumNbtObjectClass.ChemicalClass);
CswNbtMetaDataObjectClassProp molCOP = materialOC.getObjectClassProp(CswNbtObjClassChemical.PropertyName.Structure);
CswNbtViewRelationship parent = searchView.AddViewRelationship(materialOC, false);
searchView.AddViewProperty(parent, molCOP);
foreach (CswPrimaryKey nodeId in results)
{
parent.NodeIdsToFilterIn.Add(nodeId);
}
}
searchView.SaveToCache(false);
StructureSearchData.viewId = searchView.SessionViewId.ToString();
StructureSearchData.viewMode = searchView.ViewMode.ToString();
Return.Data = StructureSearchData;
}
public StructureSearchDataReturn()
{
Data = new StructureSearchViewData();
}
