private static BingoLib getLib(Indigo indigo)
{
String dllpath = indigo.getDllPath();
string libraryName;
IndigoDllLoader dll_loader = IndigoDllLoader.Instance;
switch (Environment.OSVersion.Platform)
{
case PlatformID.Win32NT:
libraryName = "bingo.dll";
dll_loader.loadLibrary(dllpath, libraryName, "com.epam.indigo.Properties.ResourcesWin", false);
break;
case PlatformID.Unix:
if (IndigoDllLoader.isMac())
{
libraryName = "libbingo.dylib";
dll_loader.loadLibrary(dllpath, libraryName, "com.epam.indigo.Properties.ResourcesMac", false);
}
else
{
libraryName = "libbingo.so";
dll_loader.loadLibrary(dllpath, libraryName, "com.epam.indigo.Properties.ResourcesLinux", false);
}
break;
default:
throw new PlatformNotSupportedException(String.Format("Unsupported platform: {0}", Environment.OSVersion.Platform));
}
return(dll_loader.getInterface <BingoLib>(libraryName));
}
internal BingoObject(int id, Indigo indigo, BingoLib bingo_lib)
{
this._id = id;
this._indigo = indigo;
this._bingoLib = bingo_lib;
this._dllLoader = IndigoDllLoader.Instance;
}
private Bingo(Indigo indigo, int id, BingoLib lib)
{
_indigo = indigo;
_lib = lib;
_id = id;
_dllLoader = IndigoDllLoader.Instance;
}
public IndigoInchi (Indigo indigo)
{
String dllpath = indigo.getDllPath ();
string libraryName;
IndigoDllLoader dll_loader = IndigoDllLoader.Instance;
switch (Environment.OSVersion.Platform) {
case PlatformID.Win32NT:
libraryName = "indigo-inchi.dll";
dll_loader.loadLibrary (dllpath, libraryName, "com.epam.indigo.Properties.ResourcesWin", false);
break;
case PlatformID.Unix:
if (IndigoDllLoader.isMac()) {
libraryName = "libindigo-inchi.dylib";
dll_loader.loadLibrary (dllpath, libraryName, "com.epam.indigo.Properties.ResourcesMac", false);
} else {
libraryName = "libindigo-inchi.so";
dll_loader.loadLibrary (dllpath, libraryName, "com.epam.indigo.Properties.ResourcesLinux", false);
}
break;
default:
throw new PlatformNotSupportedException (String.Format ("Unsupported platform: {0}", Environment.OSVersion.Platform));
}
_inchi_lib = dll_loader.getInterface<IndigoInchiLib> (libraryName);
_indigo = indigo;
}
internal BingoObject(int id, Indigo indigo, BingoLib bingo_lib)
{
this._id = id;
this._indigo = indigo;
this._bingoLib = bingo_lib;
this._dllLoader = IndigoDllLoader.Instance;
}
private Bingo(Indigo indigo, int id, BingoLib lib)
{
_indigo = indigo;
_lib = lib;
_id = id;
_dllLoader = IndigoDllLoader.Instance;
}
public void IndigoInchiTest()
{
var indigo = new Indigo();
var indigoInchi = new IndigoInchi(indigo);
var m = indigo.loadMolecule("C");
Assert.AreEqual("InChI=1S/CH4/h1H4", indigoInchi.getInchi(m));
}
public IndigoObject(Indigo dispatcher, int id, object parent)
{
this.dispatcher = dispatcher;
this.self = id;
this.parent = parent;
_indigo_lib = dispatcher._indigo_lib;
dll_loader = IndigoDllLoader.Instance;
}
internal static string checkResult(Indigo indigo, string result)
{
if (result == null)
{
throw new BingoException(new String(indigo._indigo_lib.indigoGetLastError()));
}
return result;
}
internal static float checkResult(Indigo indigo, float result)
{
if (result < 0.0)
{
throw new BingoException(new String(indigo._indigo_lib.indigoGetLastError()));
}
return result;
}
internal static float checkResult(Indigo indigo, float result)
{
if (result < 0.0)
{
throw new BingoException(new String(indigo._indigo_lib.indigoGetLastError()));
}
return(result);
}
public void TestIndigoVersion()
{
var indigo = new Indigo();
Console.WriteLine(indigo.getSID());
Assert.AreNotEqual(indigo.version(), null);
Console.WriteLine(indigo.version());
indigo.Dispose();
}
internal static string checkResult(Indigo indigo, string result)
{
if (result == null)
{
throw new BingoException(new String(indigo._indigo_lib.indigoGetLastError()));
}
return(result);
}
public void IndigoRendererTest()
{
var indigo = new Indigo();
var indigoRenderer = new IndigoRenderer(indigo);
indigo.setOption("render-output-format", "png");
var m = indigo.loadMolecule("C");
Assert.IsTrue(indigoRenderer.renderToBuffer(m).Length > 0);
}
public void TestIndigoGetOneBitsList()
{
var indigo = new Indigo();
var indigoObject = indigo.loadMolecule("C1=CC=CC=C1");
Assert.AreEqual(
"1698 1719 1749 1806 1909 1914 1971 2056",
indigoObject.fingerprint().oneBitsList(),
"same one bits as in string 1698 1719 1749 1806 1909 1914 1971 205");
}
/// <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));
}
public void TestIndigoSmiles()
{
var indigo = new Indigo();
Console.WriteLine(indigo.getSID());
var molecule = indigo.loadMolecule("c1ccccc1");
Console.WriteLine(molecule.self);
Assert.AreEqual(molecule.smiles(), "c1ccccc1");
indigo.Dispose();
}
/// <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));
}
public void TestIndigoMultipleInstances()
{
var indigo1 = new Indigo();
var indigo2 = new Indigo();
Console.WriteLine(indigo1.getSID());
Console.WriteLine(indigo2.getSID());
Assert.AreNotEqual(indigo1.getSID(), indigo2.getSID());
var molecule1 = indigo1.loadMolecule("c1ccccc1");
var molecule2 = indigo2.loadMolecule("c1ccccc1");
Console.WriteLine(molecule1.self);
Console.WriteLine(molecule2.self);
Assert.AreEqual(molecule1.smiles(), molecule2.canonicalSmiles());
indigo2.Dispose();
indigo1.Dispose();
}
public void TestBingo()
{
try
{
var indigo = new Indigo();
var bingo = Bingo.createDatabaseFile(indigo, "test.db", "molecule");
bingo.close();
System.Console.WriteLine(bingo.version());
Assert.IsTrue(bingo.version().Length > 0);
}
finally
{
if (File.Exists("test.db"))
{
File.Delete("test.db");
}
}
}
/// <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>
/// <returns>Bingo database instance</returns>
public static Bingo loadDatabaseFile(Indigo indigo, string location)
{
return(loadDatabaseFile(indigo, location, null));
}
/// <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>
/// <returns>Bingo database instance</returns>
public static Bingo createDatabaseFile(Indigo indigo, string location, string type)
{
return(createDatabaseFile(indigo, location, type, null));
}
public IndigoInchi(Indigo indigo)
{
_indigo = indigo;
resetOptions(); // Preloads native library to register renderer options
}
public void TestLoadKetcher()
{
var molfile = @"
Ketcher 08191612012D 1 1.00000 0.00000 0
36 35 0 0 0 999 V2000
7.8000 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6660 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5321 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3981 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2641 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1301 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9962 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8622 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7282 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5942 -7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4603 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3264 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1924 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0584 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9245 -8.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7905 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6660 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5321 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3981 -8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2641 -6.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9962 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8622 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7282 -9.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5942 -6.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3264 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1924 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.0584 -9.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4976 -9.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.4635 -8.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.1706 -9.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9245 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7223 -8.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2388 -10.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2905 -7.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6301 -6.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9603 -7.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
5 6 1 0 0 0
6 7 1 0 0 0
7 8 1 0 0 0
8 9 1 0 0 0
9 10 1 0 0 0
10 11 1 0 0 0
11 12 1 0 0 0
12 13 1 0 0 0
13 14 1 0 0 0
14 15 1 0 0 0
15 16 1 0 0 0
2 17 1 1 0 0
3 18 1 1 0 0
4 19 1 1 0 0
5 20 1 1 0 0
7 21 1 1 0 0
8 22 1 1 0 0
9 23 1 1 0 0
10 24 1 1 0 0
12 25 1 1 0 0
13 26 1 1 0 0
14 27 1 1 0 0
16 28 1 0 0 0
28 29 1 0 0 0
29 30 1 0 0 0
15 31 1 1 0 0
29 32 1 1 0 0
28 33 1 1 0 0
16 34 1 1 0 0
6 35 1 1 0 0
11 36 1 1 0 0
M END
";
var indigo = new Indigo();
indigo.setOption("molfile-saving-skip-date", true);
indigo.setOption("molfile-saving-add-stereo-desc", true);
var m = indigo.loadMolecule(molfile);
System.Console.WriteLine(m.molfile());
}
/// <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);
}
public IndigoObject(Indigo dispatcher, int id) : this(dispatcher, id, null)
{
dll_loader = IndigoDllLoader.Instance;
}
internal BingoObject(int id, Indigo indigo)
{
this._id = id;
this._indigo = indigo;
}
/// <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>
/// <returns>Bingo database instance</returns>
public static Bingo loadDatabaseFile(Indigo indigo, string location)
{
return loadDatabaseFile(indigo, location, null);
}
private static void _handleError(sbyte* message, Indigo self)
{
throw new IndigoException(new String(message));
}
private Bingo(Indigo indigo, int id)
{
_indigo = indigo;
_id = id;
version(); // Preloads native library
}
private static void _handleError(sbyte *message, Indigo self)
{
throw new IndigoException(_sbyteToStringUTF8(message));
}
/// <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>
/// <returns>Bingo database instance</returns>
public static Bingo createDatabaseFile(Indigo indigo, string location, string type)
{
return createDatabaseFile(indigo, location, type, null);
}
