Uli
Uli
> Sure, how would represent these? Ideally I would want these to come out as query bond expressions. Agreed. That would be my aim, too. I planned on using whatever...
> Not's bond type 9/10 is also undocumented and supported in V2000 - that might be need to be a different representation and is a bigger challenge. Just had a...
This can be closed now with #1106 having been merged.
> Here is the gist of the canonical bond code/expressions. Thanks for pointing me in the right direction here.
@johnmay This brings me back to the original issue feel a bit stuck with: > Test `MDLV3000WriterTest::writeBondTypeFiveTest` is currently failing when atom valence is inferred as `bond.getOrder()` comes back with...
> We don't enforce this but you shouldn't really be mixing query atoms/bonds and regular atoms/bonds. That's not how the CDK APIs are intended to be used - it would...
> One more thing I'd like to put in is the query feature _topology_ for bonds. Done. @johnmay Looking forward to your feedback :)
Replaced the two logging calls with calls to `handleError()`. However, I had a look at the `handleError()` method in `DefaultChemObjectReader` and I couldn't find any implementation of `IChemObjectReaderErrorHandler`. So the...
> Good to merge? Yes please.
@ldeluigi I am using version `ldeluigi/[email protected]` in my github workflow. Unfortunately, the callouts do not get properly rendered in HTML for me. Here is my callout in markdown: ``` >...