John Mayfield

Results 241 comments of John Mayfield

> I might need to reconsider my strategy for effective stereo-related molecular building. But fewer choices were found based on JAVA development env.. ? You do may me think maybe...

Macrocycles are always tricky to depict, particularly when there are double bonds that need to display the correct configuration. For example: ![image](https://github.com/cdk/cdk/assets/983232/f40564df-89b5-41c3-aecd-642f73f9a437) ![image](https://github.com/cdk/cdk/assets/983232/171b0263-b42d-462b-8479-b9af82329dc3) If you remove the double bond configurations...

Doh! Easy fix, it's the empty agents. Perhaps something changed in the JNI/JNA inchi, should add a test case anyways.

![image](https://github.com/cdk/cdk/assets/983232/c2173cf0-ffc0-4e18-8079-bb0f636b8d7d) But I agree it looks nicer, would be a bit of extra working when choosing which bond to wedge but is possible.

Hi Uli, I'll find time to look closer but some easy fixes: - the build if failing due a missing file it looks likey just forgot to check something in?...

Overall looks good but I want to kick the tyres on it a bit. Some minor comments as I've looked closer (I can't remember which parts I wrote but fully...

> I also wanted to add a citation for the newest version of the CTFile Format Spec and immediately got hit with a full dose of the javadoc pain 💉...

Could you rebase on master @uli-f, I think have configure SonarCloud so we can run it now.