mnt: changed only= keyword arguments to what= #542
Merged
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This is to unify interfaces that has these kinds of arguments. It affects Geometry|SuperCell.rotate and some tbtrans siles. To accommodate backwards compatibility for some time I have added a function to decorate methods enabling a keyword argument and replacing the *new* keyword argument with the old keyword argument. I believe users who use the old argument are not aware of the new one and hence it makes more sense. A deprecation warning is also issued. The default for Geometry.rotate is now also changed depending on whether atoms argument is supplied. - atoms is None: what="xyz+abc" - else what="xyz" when doing sub-rotations it makes more sense to only rotate the atomic coordinates, while rotations of everything makes more sense to also rotate the lattice vectors. Signed-off-by: Nick Papior <[email protected]>
![github-advanced-security[bot]](https://avatars.githubusercontent.com/in/57789?s=60&v=4){kind=small}
| @@ -366,7 +366,7 @@ | |||
| @pytest.mark.filterwarnings("ignore", message="*gridncSileSiesta.read_grid cannot determine") | |||
| @pytest.mark.parametrize("sile", _my_intersect(["read_grid"], ["write_grid"])) | |||
| def test_read_write_grid(self, sisl_tmp, sisl_system, sile): | |||
| g = sisl_system.g.rotate(-30, sisl_system.g.cell[2, :]) | |||
| g = sisl_system.g.rotate(-30, sisl_system.g.cell[2, :], what="xyz+abc") | |||
Check warning
Code scanning / CodeQL
Variable defined multiple times
Codecov Report
@@ Coverage Diff @@
## main #542 +/- ##
========================================
Coverage 86.25% 86.26%
========================================
Files 362 362
Lines 46289 46409 +120
========================================
+ Hits 39928 40033 +105
- Misses 6361 6376 +15
Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. |
Signed-off-by: Nick Papior <[email protected]>
Signed-off-by: Nick Papior <[email protected]>
|
Thanks @tfrederiksen |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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.
This is to unify interfaces that has these kinds of arguments. It affects Geometry|SuperCell.rotate and some tbtrans siles.
To accommodate backwards compatibility for some time I have added a function to decorate methods enabling a keyword argument and replacing the new keyword argument with the old keyword argument. I believe users who use the old argument are not aware of the new one and hence it makes more sense.
A deprecation warning is also issued.
The default for Geometry.rotate is now also changed depending on whether atoms argument is supplied.
onlyorwhat? #541CHANGELOG@tfrederiksen could you please have a look whether this is ok? :)