/// <summary>
/// Select structures for a list of compound ids using a single SQL cursor.
/// </summary>
/// <param name="notInCache"></param>
/// <param name="mt"></param>
/// <param name="strMc"></param>
static Dictionary <string, MoleculeMx> SelectChemicalStructuresForCorpIdList(
List <string> cidList,
MetaTable mt)
{
List <string> notInCacheKeyList;
Dictionary <Int64, string> intKeyToStringKey;
DbType parmType;
MoleculeMx cs;
Int64 intCid;
string cid;
int li;
Stopwatch sw = Stopwatch.StartNew();
Dictionary <string, MoleculeMx> csDict = new Dictionary <string, MoleculeMx>();
List <string> notInCacheList = new List <string>();
// Get structures already in the cache
for (li = 0; li < cidList.Count; li++)
{
cid = cidList[li];
if (RestrictedDatabaseView.KeyIsRetricted(cid))
{
continue;
}
cid = CompoundId.Normalize(cid, mt);
if (!Int64.TryParse(cid, out intCid))
{
continue; // make sure an integer
}
if (MoleculeCache.Contains(cid)) // see if in cache
{
csDict[cid] = MoleculeCache.Get(cid);
continue;
}
else
{
notInCacheList.Add(cid);
}
}
// Retrieve structures from the database for those not in cache
if (notInCacheList.Count == 0)
{
return(csDict);
}
MetaColumn strMc = mt.GetMetaColumnByName("molstructure");
if (strMc == null)
{
return(null);
}
string tableMap = mt.GetTableMapWithAliasAppendedIfNeeded(); // some SQL (e.g. Postgres) requires an alias for subqueries)
string keyColName = mt.KeyMetaColumn.ColumnMap;
if (Lex.IsUndefined(keyColName))
{
keyColName = mt.KeyMetaColumn.Name;
}
string strColExpr = strMc.ColumnMap;
if (strColExpr == "")
{
strColExpr = strMc.Name;
}
if (MqlUtil.IsCartridgeMetaTable(mt)) // selecting from Direct cartridge
{
if (!Lex.Contains(tableMap, "chime(")) // if no chime expression
{
strColExpr = "chime(ctab)"; // then create one (gets clob)
}
strColExpr += ", chime(ctab)"; // add 2nd column that gets clob in case first just gets first 4000 characters
}
string sql =
"select " + keyColName + ", " + strColExpr + " " +
"from " + tableMap + " " +
"where " + keyColName + " in (<list>)";
DbCommandMx drd = new DbCommandMx();
bool isNumericKey = (mt.KeyMetaColumn.IsNumeric);
bool isStringKey = !isNumericKey;
if (isStringKey)
{
parmType = DbType.String;
}
else
{
parmType = DbType.Int64;
}
try
{
drd.PrepareListReader(sql, parmType);
drd.ExecuteListReader(notInCacheList);
while (drd.Read())
{
if (drd.Rdr.IsDBNull(0))
{
continue;
}
if (isNumericKey)
{
intCid = drd.GetLong(0);
cid = intCid.ToString();
}
else // string cid
{
cid = drd.GetString(0);
}
cid = CompoundId.Normalize(cid, mt);
string molString = drd.GetString(1);
cs = new MoleculeMx(MoleculeFormat.Chime, molString);
csDict[cid] = cs;
MoleculeCache.AddMolecule(cid, cs);
}
drd.Dispose();
int msTime = (int)sw.ElapsedMilliseconds;
return(csDict);
}
catch (Exception ex)
{
if (drd != null)
{
drd.Dispose();
}
throw new Exception(
"SelectStructuresForCorpIdList, table: " + mt.Name + "\n" +
"sql: " + OracleMx.FormatSql(sql) + "\n");
}
}
