Support for differeent wrap modes in the systems API
We should provide support for handling different wrapping modes directly in the API.
Tasks:
-
Modify API request model to include new wrap_mode
parameter with fixed options:wrap
,unwrap
, or 'raw'. -
Add functions for wrap
andunwrap
directly inatomutils
. These should work onpositions
,cell
andpbc
. -
Create tests -
Add GUI option in the system download menu. By default the mode should be 'raw', but can be selected from a dropdown. Needs good descriptions.