Closed aswilkinson closed 1 year ago
Added functions to get the distance, angle, and dihedral angle between atoms over chosen frames.
Also added tests for testing said functions.
Note: The to_string functions don't quite work properly, as they are replicas of the original from the old mdsrv_repo.
Added functions to get the distance, angle, and dihedral angle between atoms over chosen frames.
Also added tests for testing said functions.
Note: The to_string functions don't quite work properly, as they are replicas of the original from the old mdsrv_repo.