public Bitmap renderToBitmap (IndigoObject obj)
{
_indigo.setSessionID ();
_indigo.checkResult (_indigo._indigo_lib.indigoSetOption ("render-output-format", "png"));
byte[] res = renderToBuffer (obj);
MemoryStream stream = new MemoryStream ();
stream.Write (res, 0, res.Length);
stream.Seek (0, SeekOrigin.Begin);
return (Bitmap)Image.FromStream (stream);
}
public byte[] renderToBuffer (IndigoObject obj)
{
_indigo.setSessionID ();
using (IndigoObject bufh = _indigo.writeBuffer()) {
_indigo.checkResult (_renderer_lib.indigoRender (obj.self, bufh.self));
byte* buf;
int bufsize;
_indigo.checkResult (_indigo._indigo_lib.indigoToBuffer (bufh.self, &buf, &bufsize));
byte[] res = new byte[bufsize];
for (int i = 0; i < bufsize; ++i)
res [i] = buf [i];
return res;
}
}
public void renderToFile (IndigoObject obj, string filename)
{
_indigo.setSessionID ();
_indigo.checkResult (_renderer_lib.indigoRenderToFile (obj.self, filename));
}
public int transformCTABtoSCSR(IndigoObject templates)
{
dispatcher.setSessionID();
return dispatcher.checkResult(_indigo_lib.indigoTransformCTABtoSCSR(self, templates.self));
}
public void setReactingCenter(IndigoObject bond, ReactingCenter type)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoSetReactingCenter(self, bond.self, (int)type));
}
public void setAtomMappingNumber(IndigoObject reaction_atom, int number)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoSetAtomMappingNumber(self, reaction_atom.self, number));
}
public float getBasicPkaValue(IndigoObject atom, int level, int min_level)
{
dispatcher.setSessionID();
float* ptr = dispatcher.checkResult(_indigo_lib.indigoGetBasicPkaValue(self, atom.self, level, min_level));
float pka = ptr[0];
return pka;
}
public void addDecomposition(IndigoObject q_match)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoAddDecomposition(self, q_match.self));
}
public IndigoObject mapBond(IndigoObject query_bond)
{
dispatcher.setSessionID();
int mapped = dispatcher.checkResult(_indigo_lib.indigoMapBond(self, query_bond.self));
if (mapped == 0)
return null;
return new IndigoObject(dispatcher, mapped);
}
public IndigoObject merge(IndigoObject what)
{
dispatcher.setSessionID();
return new IndigoObject(dispatcher, dispatcher.checkResult(_indigo_lib.indigoMerge(self, what.self)), this);
}
public IndigoObject addBond(IndigoObject dest, int order)
{
dispatcher.setSessionID();
return new IndigoObject(dispatcher, dispatcher.checkResult(_indigo_lib.indigoAddBond(self, dest.self, order)), this);
}
/// <summary>
/// Returns a shared IndigoObject for the matched target
/// </summary>
/// <returns>Shared Indigo object for the current search operation</returns>
public IndigoObject getIndigoObject()
{
_indigo.setSessionID();
IndigoObject res = new IndigoObject(_indigo, Bingo.checkResult(_indigo, _bingoLib.bingoGetObject(_id)));
_reference = res;
return res;
}
public Metafile renderToMetafile (IndigoObject obj)
{
_indigo.setSessionID ();
_indigo.checkResult (_indigo._indigo_lib.indigoSetOption ("render-output-format", "emf"));
byte[] res = renderToBuffer (obj);
MemoryStream ms = new MemoryStream (res);
Metafile mf = new Metafile (ms);
return mf;
}
public void renderToHDC (IndigoObject obj, IntPtr hdc, bool printing)
{
_indigo.setSessionID ();
int hdch = _indigo.checkResult (_renderer_lib.indigoRenderWriteHDC ((void*)hdc, printing ? 1 : 0));
_indigo.checkResult (_renderer_lib.indigoRender (obj.self, hdch));
}
public System.Collections.IEnumerable iterateMatches(IndigoObject query)
{
dispatcher.setSessionID();
return new IndigoObject(dispatcher, dispatcher.checkResult(_indigo_lib.indigoIterateMatches(self, query.self)), this);
}
public void addCatalyst(IndigoObject molecule)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoAddCatalyst(self, molecule.self));
}
public IndigoObject mapMolecule(IndigoObject query_reaction_molecule)
{
dispatcher.setSessionID();
int mapped = dispatcher.checkResult(_indigo_lib.indigoMapMolecule(self, query_reaction_molecule.self));
if (mapped == 0)
return null;
return new IndigoObject(dispatcher, mapped);
}
public void cmlAppend(IndigoObject item)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoCmlAppend(self, item.self));
}
public IndigoObject decomposeMolecule(IndigoObject mol)
{
dispatcher.setSessionID();
int res = dispatcher.checkResult(_indigo_lib.indigoDecomposeMolecule(self, mol.self));
if (res == 0)
return null;
return new IndigoObject(dispatcher, res, this);
}
public int arrayAdd(IndigoObject item)
{
dispatcher.setSessionID();
return dispatcher.checkResult(_indigo_lib.indigoArrayAdd(self, item.self));
}
public void append(IndigoObject obj)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoAppend(self, obj.self));
}
public void unignoreAtom(IndigoObject atom)
{
dispatcher.setSessionID();
dispatcher.checkResult(_indigo_lib.indigoUnignoreAtom(self, atom.self));
}
public int atomMappingNumber(IndigoObject reaction_atom)
{
dispatcher.setSessionID();
return dispatcher.checkResult(_indigo_lib.indigoGetAtomMappingNumber(self, reaction_atom.self));
}
public IndigoObject match(IndigoObject query)
{
dispatcher.setSessionID();
int res = dispatcher.checkResult(_indigo_lib.indigoMatch(self, query.self));
if (res == 0)
return null;
return new IndigoObject(dispatcher, res, this);
}
public ReactingCenter reactingCenter(IndigoObject bond)
{
int c;
dispatcher.setSessionID();
if (dispatcher.checkResult(_indigo_lib.indigoGetReactingCenter(self, bond.self, &c)) == 1)
return (ReactingCenter)c;
throw new IndigoException("reactingCenter(): unexpected result");
}
public int countMatches(IndigoObject query)
{
dispatcher.setSessionID();
return dispatcher.checkResult(_indigo_lib.indigoCountMatches(self, query.self));
}
public IndigoObject createSGroup(String type, IndigoObject mapping, String name)
{
dispatcher.setSessionID();
return new IndigoObject(dispatcher, dispatcher.checkResult(_indigo_lib.indigoCreateSGroup(type, mapping.self, name)));
}
public int countMatchesWithLimit(IndigoObject query, int embeddings_limit)
{
dispatcher.setSessionID();
return dispatcher.checkResult(_indigo_lib.indigoCountMatchesWithLimit(self, query.self, embeddings_limit));
}
public String getInchi (IndigoObject molecule)
{
_indigo.setSessionID ();
return new String (_indigo.checkResult (_inchi_lib.indigoInchiGetInchi (molecule.self)));
}
public void renderGridToFile (IndigoObject items, int[] refatoms, int ncolumns, string filename)
{
if (refatoms != null)
if (refatoms.Length != items.count ())
throw new IndigoException ("renderGridToFile(): refatoms[] size must be equal to the number of objects");
_indigo.checkResult(_renderer_lib.indigoRenderGridToFile (items.self, refatoms, ncolumns, filename));
}