private byte[] RenderHighlightedObject(IndigoObject mol, IndigoObject query)
{
query.aromatize();
IndigoObject matcher = indigo.substructureMatcher(mol);
foreach (IndigoObject match in matcher.iterateMatches(query))
{
foreach (IndigoObject queryAtom in query.iterateAtoms())
{
IndigoObject atom = match.mapAtom(queryAtom);
atom.highlight();
foreach (IndigoObject nei in atom.iterateNeighbors())
{
if (!nei.isPseudoatom() && !nei.isRSite() && nei.atomicNumber() == 1)
{
nei.highlight();
nei.bond().highlight();
}
}
}
foreach (IndigoObject bond in query.iterateBonds())
{
match.mapBond(bond).highlight();
}
}
indigo.setOption("render-coloring", false);
mol.dearomatize();
mol.layout();
return(renderer.renderToBuffer(mol));
}
/// <summary>
/// Returns a depiction of the chemical structure as a bitmap.
/// </summary>
/// <param name="width">The desired width in pixels.</param>
/// <param name="height">The desired height in pixels.</param>
/// <returns>The bitmap depicting the chemical structure.</returns>
public Bitmap ToBitmap(int width, int height)
{
Bitmap bitmap = null;
try
{
using (Indigo indigo = new Indigo())
{
IndigoRenderer indigoRenderer = new IndigoRenderer(indigo);
indigo.setOption("render-coloring", true);
indigo.setOption("render-image-size", width, height);
indigo.setOption("render-label-mode", "hetero");
indigo.setOption("render-margins", 10, 10);
indigo.setOption("render-output-format", "png");
indigo.setOption("render-relative-thickness", 1.6f);
IndigoObject structure = CreateIndigoStructure(indigo);
structure.dearomatize();
structure.layout();
bitmap = indigoRenderer.renderToBitmap(structure);
structure.Dispose();
}
}
catch
{
bitmap = Properties.Resources.Error;
}
return(bitmap);
}