In code where a single system is defined (basis, masks, molecules, sub-molecules) the new align method is not efficient as it re-calculates the subsidiary bits each time it is called. While we could use *kwargs or other means to add different functionality, it may be better to create a secondary align method that takes different arguments.
In code where a single system is defined (basis, masks, molecules, sub-molecules) the new align method is not efficient as it re-calculates the subsidiary bits each time it is called. While we could use *kwargs or other means to add different functionality, it may be better to create a secondary align method that takes different arguments.