John Mayfield
John Mayfield
Looks good, I do this on a local implementation but with 4 values ands the type indicating the cardinality. I only need contains/insert so much simpler. Was poking around to...
Thanks will review tomorrow.
Hi Stefan, just checked and the patch only contains the test. Out of principle I won't add a failing test unless there is a fix to go with it. Based...
I think this is quite a simple fix, I just don't want to do it as I don't have a use for Hose codes...
The hierarchal sorting problem is identical to CIP stereochemistry, or Gilleain's signatures library.
Picking this up now, I can get close to the expected HOSE code ``` Expected :C-4;CCC(CY,CY,/)// Actual :C-4;CCC(CY,CY,/,,,/)// ``` Which is much better than the original ``` Expected :C-4;CCC(CY,CY,/)// Actual...
Thanks @stefhk3 finally figured out how I wanted to handle the issue with the existing AI/ML being built on the old code. It wasn't clear how we could update the...
Fixed via #828
I may still rewrite this code as it appears to be doing a lot more than it needs to. In my mind it should just be a simple breath-first order...
Doh, there is a QSAR model trained on the broken hose codes :-)