Egon Willighagen

Results 332 comments of Egon Willighagen

Yes, that, but also that it is not using the `identifiers.org` or `bioregistry.io` prefixes. It should be something like `https://hub.toolforge.org/gbif:5130682`

> Can you explain the use/need of `xsd:integer` here`? No, but the first sounds arbitrary. The `wikibase:mwapi` is using a special index, making it faster enough, and can possibly be...

> 3. What does the `SERVICE` query do? it does not work, even on the WDQS It does, not before the filling in of the `search_query` value, a combination of...

@johnmay, I guess `.setStereo(IBond.Stereo.UP);` needs to be converted to another stereo model, which is used by the `SmilesGenerator`, right? Because `SmiFlavor.UniversalSmiles` does include stereochemistry, I just checked.

> Well there are no coordinates so up/down bonds are meaningless, Oh, duh :/

Yeah, if too complicated, then ignore it. Certainly not anything urgent.

Interesting. This was topic of my project at EMBL-EBI/CamUni in 2003, where I looked at MaCIE database content validation with the CDK/JChemPaint.

> Need to modify the test to check for the exception now. yes, I just saw that: ```shell [INFO] Results: [INFO] [ERROR] Errors: [ERROR] AromaticityTest.outOfMemoryExceptionInitialCycles:178 » Intractable Too many relevant...

@johnmay, are you fixing this? or shall I?

> but we can send a PR to the PR if that makes sense. Ah, we don't have that option enabled? Let me check ...