Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Proper error handling for missing OpenMM state variables #102

Open
salotz opened this issue Oct 14, 2023 · 0 comments
Open

Proper error handling for missing OpenMM state variables #102

salotz opened this issue Oct 14, 2023 · 0 comments
Labels

Comments

@salotz
Copy link
Collaborator

salotz commented Oct 14, 2023

When originally written I didn't know how (or wasn't possible) to cleanly handle errors from OpenMM when retrieving state information that wasn't available for the state, e.g. velocities, forces, etc. typically.

It looks like now these all raise OpenMMException types so this should be able to handled better now.

We may want to rework this being a warning entirely, but minimally it can raise a better warning that includes the OpenMMException message and error type.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

1 participant