OK, I dug into the source code<https://github.com/rdkit/rdkit/blob/d41752d558bf7200ab67b98cdd9e37f1bdd378de/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp> and it seems bondLineWidth simply can't be set:
void updateDrawerParamsFromJSON(MolDraw2D &drawer, const std::string &json) { if (json == "") { return; } std::istringstream ss; ss.str(json); MolDrawOptions &opts = drawer.drawOptions(); boost::property_tree::ptree pt; boost::property_tree::read_json(ss, pt); PT_OPT_GET(atomLabelDeuteriumTritium); PT_OPT_GET(dummiesAreAttachments); PT_OPT_GET(circleAtoms); PT_OPT_GET(continuousHighlight); PT_OPT_GET(flagCloseContactsDist); PT_OPT_GET(includeAtomTags); PT_OPT_GET(clearBackground); PT_OPT_GET(legendFontSize); PT_OPT_GET(multipleBondOffset); PT_OPT_GET(padding); PT_OPT_GET(additionalAtomLabelPadding); get_colour_option(&pt, "highlightColour", opts.highlightColour); get_colour_option(&pt, "backgroundColour", opts.backgroundColour); get_colour_option(&pt, "legendColour", opts.legendColour); if (pt.find("atomLabels") != pt.not_found()) { BOOST_FOREACH (boost::property_tree::ptree::value_type const &item, pt.get_child("atomLabels")) { opts.atomLabels[boost::lexical_cast<int>(item.first)] = item.second.get_value<std::string>(); } } } legendFontSize indeed works. I was using a setting I had from python (0.5) which got silently ignored. But with a proper value in points size I assume it works. So I suggest to add the bondLineWidth as option to above method. Best Regards, Thomas ________________________________ Von: Thomas Strunz <beginn...@hotmail.de> Gesendet: Donnerstag, 13. Februar 2020 09:09 An: rdkit-discuss@lists.sourceforge.net <rdkit-discuss@lists.sourceforge.net> Betreff: [Rdkit-discuss] RDKit Cartridge mol_to_svg parameters Hi All, started to play around with the rdkit cartridge and I was wondering how to correctly use the mol_to_svg function. On rdkit homepage I only found this: mol_to_svg(mol,string default ‘’,int default 250, int default 200, string default ‘’) : returns an SVG with a drawing of the molecule. The optional parameters are a string to use as the legend, the width of the image, the height of the image, and a JSON with additional rendering parameters. (available from the 2016_09 release) The interesting part are the rendering parameters. Is there a list of them and some examples of this function? I tried stuff like below: mol_to_svg(mol, 'Test', 150, 100, '{"bondLineWidth": 1, "legendFontSize": 0.5}') There is no error but the "JSON" options are not applied. The image always looks the same with for my taste too thick bonds. Best Regards, Thomas
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