Skip to content

Proper error handling for missing OpenMM state variables #102

@salotz

Description

@salotz

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.

Metadata

Metadata

Assignees

No one assigned

    Labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions