John Mayfield
John Mayfield
Hi @uli-f, Just letting you know this, and the RDF, and the SMIRKS bits are on my radar. Doing a 2.9 release but I will try and get round to...
> With the _RDF bits_ I assume you are referring to #942 ? If so please let me know if there is anything I can do on my side to...
Need to modify the test to check for the exception now.
Well on this branch needs to be @uli-f - but we can send a PR to the PR if that makes sense. Just needs an ``Assertions.assertThrows()``
Missing an import I think, how did you do the PR and have it appear automatically? I needed to do that the Ertl Functional Group stuff
Oh you just push to their branch, odd.
Nope I don't understand, ``` ! [remote rejected] uli-f-oom_initial_cycles -> uli-f-oom_initial_cycles (permission denied) error: failed to push some refs to 'github.com:uli-f/cdk.git' ```
Now I'm more confused how you did it @egonw. I followed this (https://tighten.com/insights/adding-commits-to-a-pull-request/) but had to rebase hence they are all in here now. I will close and just do...
Ah OK, thanks. I did mange to push it as you saw but think I rebased wrongly. No worries.
Add to #823