Monday, May 15, 2017

More robust support for creation of molecules in the interface causing changes of primary skeleton in molecule, minor graphic update, and improvement of inspector hiding

Release 2.6.0


Previously the user could create the molecule 3-methylhexane by first adding a pentane molecule then adding 2 sequential carbon atoms to the second carbon in the pentane to create an ethyl side chain. This molecule would then incorrectly be named 2-ethylpentane as the inteface logic did not properly determine that, per IUPAC naming rules, the longest primary skeleton in the molecule had changed from a pentane to a hexane. This logic has been updated to be more robust in detecting primary skeleton changes. Other test cases involve pi bonds being added and removed from side chains in the molecule.
The skeleton graphics used for dragging skeletons on to the workspace have been updated to more accurately represent how they are rendered in the molecule drawing.

Finally, previously the inspector would not always properly hide itself after the user moves the cursor well away from the atom being inspected. This has been corrected.

If you've read this far, please, please consider checking out our contact page and leave feedback. Every little bit helps a lot!! Also look forwards to a more interactive blog in the near future.

No comments:

Post a Comment

OChemdle

In light of the recent popularity of games such as Wordle and its offshoots (Worldle, Octordle, Semantle, Redactle, etc), a conversation beg...