public IEnumerable <FetchedData> fetch(SqlConnection conn)
{
byte[] fp;
BingoCore.mangoGetQueryFingerprint(out fp);
// Search using fast index
_index_data.fingerprints.init(conn);
_index_data.storage.validate(conn);
int need_coords = BingoCore.lib.mangoNeedCoords();
byte[] xyz = new byte[0];
IEnumerable <int> screened;
if (search_type == SearchType.SUB)
{
if (!_index_data.fingerprints.ableToScreen(fp))
{
screened = _index_data.storage.enumerateStorageIds(nextAfterStorageId);
}
else
{
screened = _index_data.fingerprints.screenSub(conn, fp, nextAfterStorageId);
}
}
else
{
screened = _index_data.fingerprints.screenSim(conn, fp, nextAfterStorageId,
new BingoFingerprints.getBoundsDelegate(simGetMinMaxBounds));
}
int cache_index = 0;
foreach (int storage_id in screened)
{
if (_index_data.storage.isDeleted(storage_id, conn, ref cache_index))
{
continue;
}
// TODO: add match with xyz test for binary molecules
byte[] data_with_cmf = _index_data.storage.get(storage_id, 6, -1, conn, ref cache_index);
if (need_coords != 0)
{
xyz = _index_data.getXyz(storage_id, conn);
}
int ret = BingoCore.lib.mangoMatchTargetBinary(data_with_cmf,
data_with_cmf.Length, xyz, xyz.Length);
if (ret < 0)
{
// Exception has happend
// Extract id
int id = _index_data.storage.getInt(storage_id, 0, conn, ref cache_index);
string msg = "Undef";
if (ret == -2)
{
msg = BingoCore.lib.bingoGetError();
}
if (ret == -1)
{
msg = BingoCore.lib.bingoGetWarning();
}
throw new Exception(String.Format("Id = {0}: {1}", id, msg));
}
if (ret == 1)
{
// Extract id
int id = _index_data.storage.getInt(storage_id, 0, conn, ref cache_index);
FetchedData mol = new FetchedData(id);
if (highlighting)
{
if (need_coords == 0)
{
// Load xyz
byte[] xyz_found = _index_data.getXyz(storage_id, conn);
BingoCore.lib.mangoLoadTargetBinaryXyz(xyz_found, xyz_found.Length);
}
mol.str = BingoCore.mangoGetHightlightedMolecule();
}
if (search_type == SearchType.SIM)
{
BingoCore.lib.mangoSimilarityGetScore(out mol.value);
}
yield return(mol);
}
}
}
