Hi Lukas,
It looks like I forgot to expose the method to change line width to the
Python wrapper, so you can't currently change it using the new drawing code.
Until that's fixed (and I think we can describe the missing wrapper method
as a bug and get it in the next patch release, but I will have to confirm
that), I'm afraid that you'll need to edit the SVG. Let know if you want
tips on how to do that.
For the next release, the drawing options object should certainly support a
bondWidth.
-greg
On Tue, Oct 30, 2018 at 4:37 PM Lukas Pravda wrote:
> Hi all,
>
>
>
> First of all, my configuration is following:
>
> macOS: 10.14
>
> conda: 4.5.11
>
> python: 3.6.6
>
> rdkit: 2018.09.01
>
>
>
> I just tried to set bond width for 2D SVG images and I run into situation
> I don’t understand much (nothing surprising ☺). I’m aware of 2 ways how
> to generate SVG images
>
>
>
> A simple one
>
> from rdkit import Chem
>
> from rdkit.Chem import Draw
>
> width=100
>
> mol = Chem.MolFromSmiles('c1cc(CCCO)ccc1')
>
> Draw.DrawingOptions.bondLineWidth = 10
>
> Draw.MolToFile(mol, 'img.svg', size=(width, width))
>
>
>
> Here I can set bondLineWidth, it works like a charm, but if I use the
> other approach I know, which allows a bit more configuration,
>
>
>
> from rdkit import Chem
>
> from rdkit.Chem import Draw
>
> mol = Chem.MolFromSmiles('c1cc(CCCO)ccc1')
>
> drawer = Draw.MolDraw2DSVG(width, width)
>
> options = drawer.drawOptions()
>
> options.bondLineWidth = 10 # does not work
>
> Draw.DrawingOptions.bondLineWidth = 10 # does not work either
>
> mol = Draw.PrepareMolForDrawing(mol)
>
> drawer.DrawMolecule(mol)
>
> drawer.FinishDrawing()
>
> with open(f'img.svg', 'w') as f:
>
> f.write(drawer.GetDrawingText())
>
>
>
> the bondLineWidth property is not part of the object returned by
> drawOptions(). And setting it in a similar fashion as with the previous
> case does not work. So, I am bit puzzled at this point, If I do something
> wrong, or if it is possible to set it at all in the other approach.
>
> At best, I’d like to set the other approach as it allows a bit more
> configuration and I would like to avoid manipulating the svg text directly.
> I appreciate all your help.
>
>
>
> Thank you!
>
> Lukas
>
>
>
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