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using System;
using System.IO;
using System.Collections.Generic;
using System.Collections;
using System.Text;
using System.Data;
using System.Data.SqlClient;
using System.Data.SqlTypes;
using System.Runtime.Serialization.Formatters.Binary;
using System.Runtime.InteropServices;
namespace indigo
{
public class MangoFastIndexFetch
{
MangoIndexData _index_data;
enum SearchType { UNDEF, SUB, SIM } ;
SearchType search_type = SearchType.UNDEF;
bool highlighting = false;
public MangoFastIndexFetch (MangoIndexData index_data)
{
_index_data = index_data;
}
public int? nextAfterStorageId { get; set; }
public void prepareSub (string query, string options, bool highlighting, bool smarts)
{
int res = BingoCore.lib.mangoSetupMatch(smarts ? "SMARTS" : "SUB", query, options);
if (res < 0)
throw new Exception(BingoCore.lib.bingoGetError());
search_type = SearchType.SUB;
BingoCore.lib.mangoSetHightlightingMode(highlighting ? 1 : 0);
this.highlighting = highlighting;
}
public void prepareSimilarity (string query, string options, float min, float max)
{
int res = BingoCore.lib.mangoSetupMatch("SIM", query, options);
if (res < 0)
throw new Exception(BingoCore.lib.bingoGetError());
BingoCore.lib.mangoSimilaritySetMinMaxBounds(min, max);
search_type = SearchType.SIM;
}
private void simGetMinMaxBounds (IList<int> storage_ids, ref int[] min_common_ones,
ref int[] max_common_ones, SqlConnection conn)
{
BingoTimer timer2 = new BingoTimer("fingerprints.screening_bounds_ones");
int cache_index = 0;
int[] targets_ones = new int[storage_ids.Count];
for (int i = 0; i < storage_ids.Count; i++)
{
int storage_id = storage_ids[i];
targets_ones[i] = _index_data.storage.getShort(storage_id, 4, conn, ref cache_index);
}
timer2.end();
BingoTimer timer3 = new BingoTimer("fingerprints.screening_bounds_get");
IntPtr min_common_ones_ptr, max_common_ones_ptr;
BingoCore.lib.mangoSimilarityGetBitMinMaxBoundsArray(targets_ones.Length, targets_ones,
out min_common_ones_ptr, out max_common_ones_ptr);
if (min_common_ones.Length != storage_ids.Count ||
max_common_ones.Length != storage_ids.Count)
throw new Exception("Internal error in simGetMinMaxBounds: array lengths mismatch");
Marshal.Copy(min_common_ones_ptr, min_common_ones, 0, targets_ones.Length);
Marshal.Copy(max_common_ones_ptr, max_common_ones, 0, targets_ones.Length);
timer3.end();
}
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;
}
}
}
}
}
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