Avogadro version: 1.101.0-14-g7431227 (Nightly downloaded 10/1/25)
Operating system and version: Windows 11 Pro Version 10.0.26100
Expected Behavior
I’m not sure if I expect to be allowed to edit a unit cell to a molecule with a rendered surface , but regardless, the behavior should be that the program does not crash when I attempt to edit a unit cell to a molecule with a surface.
Actual Behavior
Rendering a surface from a .cube or from an ORCA output file and trying to edit a unit cell that I’ve added after the fact causes a crash.
Steps to Reproduce
Open a file and render a surface, add a unit cell, then try to change one of the parameters of the unit cell and click Apply.
Here’s a small test file that can be used: MeSu-CCSD.out (5.5 MB)
Well, the expected behavior would be that the unit cell editing should invalidate / remove the surface and obviously not a crash. (All editing should do that.)
One thing I’m hoping to do as part of the next release is to create some builds with QtTesting turned on to record functional tests in the UI like this (e.g., load this file, create a surface, edit the unit cell). And if possible, maybe some sort of UI fuzz testing setup (e.g., run for a minute or two trying random actions).
Here’s a temporary solution - but I also need to figure out why modifications to the molecule (like adding a unit cell) doesn’t completely remove the surface…