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)); }