At the moment, the following error is raised if a Gromacs_genbox object tries to run without a Gromacs version (<= 4.6) installed:
FileNotFoundError: [Errno 2] No such file or directory: 'genbox': 'genbox'
The error handling in BaseGromacsCommands classes is currently designed to capture any subprocess errors and process them to reporting back to the user. Therefore, we should expect to see
RuntimeError: Gromacs ('genbox') did not run correctly. Error code: 127 executable 'genbox' was not found
With the standard error message from the subprocess call also appended.
This should be fixed and include a unit test to ensure the corrected response is raised.
At the moment, the following error is raised if a
Gromacs_genboxobject tries to run without a Gromacs version (<= 4.6) installed:The error handling in
BaseGromacsCommandsclasses is currently designed to capture any subprocess errors and process them to reporting back to the user. Therefore, we should expect to seeWith the standard error message from the subprocess call also appended.
This should be fixed and include a unit test to ensure the corrected response is raised.