private Bingo(Indigo indigo, int id, BingoLib lib)
{
_indigo = indigo;
_lib = lib;
_id = id;
_dllLoader = IndigoDllLoader.Instance;
}
internal BingoObject(int id, Indigo indigo, BingoLib bingo_lib)
{
this._id = id;
this._indigo = indigo;
this._bingoLib = bingo_lib;
this._dllLoader = IndigoDllLoader.Instance;
}
/// <summary>
/// Perform search by molecular formula
/// </summary>
/// <param name="query">string with formula to search. For example, 'C22 H23 N3 O2'.</param>
/// <param name="options">search options</param>
/// <returns>Bingo search object instance</returns>
public BingoObject searchMolFormula(string query, string options)
{
if (options == null)
{
options = "";
}
_indigo.setSessionID();
return(new BingoObject(Bingo.checkResult(BingoLib.bingoSearchMolFormula(_id, query, options)), _indigo));
}
/// <summary>
/// Perform exact search operation
/// </summary>
/// <param name="query">indigo object (molecule or reaction)</param>
/// <param name="options">exact search options</param>
/// <returns>Bingo search object instance</returns>
public BingoObject searchExact(IndigoObject query, string options)
{
if (options == null)
{
options = "";
}
_indigo.setSessionID();
return(new BingoObject(Bingo.checkResult(BingoLib.bingoSearchExact(_id, query.self, options)), _indigo));
}
/// <summary>
/// </summary>
public void Dispose()
{
if (_id >= 0 && _indigo != null)
{
_indigo.setSessionID();
Bingo.checkResult(BingoLib.bingoEndSearch(_id));
_id = -1;
}
}
/// <summary>
/// Execute similarity search for most similar structures with external fingerprint
/// </summary>
/// <param name="query"> indigo object (molecule or reaction)</param>
/// <param name="limit"> Number of structures</param>
/// <param name="minSim"> Minimum similarity value</param>
/// <param name="metric"> Default value is "tanimoto"</param>
/// <param name="extFp"> Indigo object with a external similarity fingerprint (molecule or reaction)</param>
/// <returns> Bingo search object instance</returns>
public BingoObject searchSimTopNWithExtFP(IndigoObject query, int limit, float minSim, IndigoObject extFp, string metric)
{
if (metric == null)
{
metric = "tanimoto";
}
_indigo.setSessionID();
return(new BingoObject(Bingo.checkResult(BingoLib.bingoSearchSimTopNWithExtFP(_id, query.self, limit, minSim, extFp.self, metric)), _indigo));
}
/// <summary>
/// Dispose method that closes the database
/// </summary>
public void Dispose()
{
if (_id >= 0)
{
_indigo.setSessionID();
Bingo.checkResult(BingoLib.bingoCloseDatabase(_id));
_id = -1;
}
}
/// <summary>
/// Execute similarity search operation
/// </summary>
/// <param name="query">indigo object (molecule or reaction)</param>
/// <param name="min">Minimum similarity value</param>
/// <param name="max">Maximum similairy value</param>
/// <param name="ext_fp">Indigo object with a external similarity fingerprint</param>
/// <param name="metric">Default value is "tanimoto"</param>
/// <returns>Bingo search object instance</returns>
public BingoObject searchSimWithExtFP(IndigoObject query, float min, float max, IndigoObject ext_fp, string metric)
{
if (metric == null)
{
metric = "tanimoto";
}
_indigo.setSessionID();
return(new BingoObject(Bingo.checkResult(BingoLib.bingoSearchSimWithExtFP(_id, query.self, min, max, ext_fp.self, metric)), _indigo));
}
/// <summary>
/// Creates a chemical storage of a specifed type in a specified location
/// </summary>
/// <param name="indigo">Indigo instance</param>
/// <param name="location">Directory with the files location</param>
/// <param name="type">"molecule" or "reaction"</param>
/// <param name="options">Additional options separated with a semicolon. See the Bingo documentation for more details.</param>
/// <returns>Bingo database instance</returns>
public static Bingo createDatabaseFile(Indigo indigo, string location, string type, string options)
{
indigo.setSessionID();
if (options == null)
{
options = "";
}
int databaseID = checkResult(BingoLib.bingoCreateDatabaseFile(location, type, options));
return(new Bingo(indigo, databaseID));
}
/// <summary>
/// Loads a chemical storage of a specifed type from a specified location
/// </summary>
/// <param name="indigo">Indigo instance</param>
/// <param name="location">Directory with the files location</param>
/// <param name="options">Additional options separated with a semicolon. See the Bingo documentation for more details.</param>
/// <returns>Bingo database instance</returns>
public static Bingo loadDatabaseFile(Indigo indigo, string location, string options)
{
if (options == null)
{
options = "";
}
BingoLib lib = Bingo.getLib(indigo);
indigo.setSessionID();
int databaseID = Bingo.checkResult(indigo, lib.bingoLoadDatabaseFile(location, options));
return(new Bingo(indigo, databaseID, lib));
}
/// <summary>
/// Returns Bingo version
/// </summary>
/// <returns>Bingo version</returns>
public string version()
{
_indigo.setSessionID();
return(checkResult(BingoLib.bingoVersion()));
}
/// <summary>
/// Returns an IndigoObject for the record with the specified id
/// </summary>
/// <param name="id">record id</param>
/// <returns>Indigo object</returns>
public IndigoObject getRecordById(int id)
{
_indigo.setSessionID();
return(new IndigoObject(_indigo, checkResult(BingoLib.bingoGetRecordObj(_id, id))));
}
/// <summary>
/// Post-process index optimization
/// </summary>
public void optimize()
{
_indigo.setSessionID();
checkResult(BingoLib.bingoOptimize(_id));
}
/// <summary>
/// Inserts a structure under a specified id
/// </summary>
/// <param name="record">Indigo object with a chemical structure (molecule or reaction)</param>
/// <param name="id">record id</param>
/// <returns> inserted record id</returns>
public int insert(IndigoObject record, int id)
{
_indigo.setSessionID();
return(checkResult(BingoLib.bingoInsertRecordObjWithId(_id, record.self, id)));
}
/// <summary>
/// Execute enumerate id operation
/// </summary>
/// <returns>Bingo enumerate id object instance</returns>
public BingoObject enumerateId()
{
_indigo.setSessionID();
return(new BingoObject(Bingo.checkResult(BingoLib.bingoEnumerateId(_id)), _indigo));
}
/// <summary>
/// Delete a record by id
/// </summary>
/// <param name="id">Record id</param>
public void delete(int id)
{
_indigo.setSessionID();
checkResult(BingoLib.bingoDeleteRecord(_id, id));
}
/// <summary>
/// Inserts a structure under a specified id
/// </summary>
/// <param name="record">Indigo object with a chemical structure (molecule or reaction)</param>
/// <param name="ext_fp">Indigo object with a external similarity fingerprint</param>
/// <param name="id">record id</param>
/// <returns> inserted record id</returns>
public int insertWithExtFP(IndigoObject record, IndigoObject ext_fp, int id)
{
_indigo.setSessionID();
return(checkResult(BingoLib.bingoInsertRecordObjWithIdAndExtFP(_id, record.self, id, ext_fp.self)));
}
