Changing bond order does not adjust H count properly

I believe this to be a bug with Avogadro

Environment Information

Avogadro version: 1.97.0 shader build
Operating system and version: macOS 12.5.1

Expected Behavior

Start with

image

I want to change the C-C single bond (upper right) to a double bond. I try to do it two ways:

Click on a bond:

image

Or select
image

And clicking on one atom drag to another:

image

That said, if I click on a bond and then clicking one and dragging to another, I do get the right thing:

image

Actually, there’s another thing – I can’t optimize this structure:

image

For reference, the force field is set to “forcefields”. But this could be part of the update to force fields that you’ve mentioned elsewhere.

image

I don’t know which build you’re using - I’m pretty sure the hydrogen bug was fixed recently. I’d suggest a nightly build:

https://two.avogadro.cc/

No, that looks like there was a problem building Open Babel with that version.

1 Like

I used this one from ~6 days ago

Right. I just don’t know if that has all the other fixes in it. The hydrogen bug was annoying - took ages to track down.