MolDraw2D should automatically set bond highlight color when atom colors are changed

[greglandrum]

Describe the bug
I noticed this while putting a tutorial notebook together.

Here's some code:

d2d = Draw.MolDraw2DSVG(250,200)
c1 = (.3,.3,1)
d2d.DrawMolecule(m,highlightAtoms=[0,1,2],highlightAtomColors={0:c1,1:c1,2:c1})
d2d.FinishDrawing()
SVG(d2d.GetDrawingText())

And the result:

Expected behavior
The bonds there should be the same color as the atoms. If the two end atoms are different colors, then it's fine to pick one of them.

Configuration (please complete the following information):

• RDKit version: master
• OS: all

[DavidACosgrove]

Thanks Greg. I’ll take a look over the weekend. Dave

On Fri, 28 Oct 2022 at 04:16, Greg Landrum ***@***.***> wrote: *Describe the bug* I noticed this while putting a tutorial notebook together. Here's some code: d2d = Draw.MolDraw2DSVG(250,200) c1 = (.3,.3,1) d2d.DrawMolecule(m,highlightAtoms=[0,1,2],highlightAtomColors={0:c1,1:c1,2:c1}) d2d.FinishDrawing() SVG(d2d.GetDrawingText()) And the result: [image: image] <https://user-images.githubusercontent.com/540511/198493425-a9548a9f-e9de-47a1-b164-b7672fc722d2.png> *Expected behavior* The bonds there should be the same color as the atoms. If the two end atoms are different colors, then it's fine to pick one of them. *Configuration (please complete the following information):* - RDKit version: master - OS: all — Reply to this email directly, view it on GitHub <#5704>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ACGF2FXIGMAWMNQE5CE74CDWFNAPZANCNFSM6AAAAAARQU2YOA> . You are receiving this because you are subscribed to this thread.Message ID: ***@***.***>

-- David Cosgrove Freelance computational chemistry and chemoinformatics developer http://cozchemix.co.uk

[greglandrum]

Thanks Greg. I’ll take a look over the weekend. Dave

I'll do this one Dave (that's why I assigned it to me)... I want some practice playing with the MolDraw2D code too.