Here is my vision for the input checking which might have to be rethought of more simulation utilities are added but I think is more elegant right now! I also wrote two tests to make sure the schnet feature errors are raised. Also I changed the try/except logic in the checker to a hasattr call because try/except is dangerous if other errors are raised besides the one you're hoping for.
Here is my vision for the input checking which might have to be rethought of more simulation utilities are added but I think is more elegant right now! I also wrote two tests to make sure the schnet feature errors are raised. Also I changed the try/except logic in the checker to a
hasattrcall because try/except is dangerous if other errors are raised besides the one you're hoping for.