foreach_cell
iteration should continue until at least one site is found
#222
+21
−8
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
In supercell searches without a specific list of cells, we ensure BoxIterator keeps going until we find at least one site (or we exceed the maximum iterations). However
foreach_cell
did not have this check, and would stop as soon as a closed shell without hits was formed. This led to lattice slicing (using a region such as a ring around the origing) where we could fail to form a slice. Note also thatsiteselector
has noseed
option currently (unlikesupercell
), so this problem could not be worked around.Perhaps a future refactor could employ
foreach_cell
andforeach_site
in supercell, to be more DRY.