feat: Add structure subpackage - #4
Open
cadenmyers13 wants to merge 3 commits into
Open
cadenmyers13 wants to merge 3 commits into
cadenmyers13 wants to merge 3 commits into
Conversation
Port all 8 modules of diffpy.srfit.structure into diffpy.cmipdf.structure so cmipdf owns the structure adapters it depends on, and repoint basepdfgenerator at the local copy instead of diffpy.srfit.structure. Per the deprecation plan, cmipdf has never been released and so carries no deprecation shims: constrainAsSpaceGroup and the three setConst forwarders are dropped along with the diffpy.utils._deprecator imports, and the camelCase API is ported as snake_case only. getValue and addParameter stay camelCase because they override core srfit methods that have not been renamed yet; struToParameterSet keeps its name because srfit is not renaming it. Also add extend_path to src/diffpy/__init__.py, without which diffpy.cmipdf shadows the rest of the diffpy namespace. Tests ported from srfit for diffpyparset, objcrystparset and sgconstraints, minus the constrainAsSpaceGroup deprecation test, plus the LaMnO3.stru fixture and a pyobjcryst_available gate. Suite goes from 12 to 29 passing, matching srfit's 18 for the same modules less the one deprecation test. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #4 +/- ##
==========================================
+ Coverage 87.11% 91.41% +4.30%
==========================================
Files 5 8 +3
Lines 194 769 +575
==========================================
+ Hits 169 703 +534
- Misses 25 66 +41
🚀 New features to boost your workflow:
|
Contributor
Author
|
@sbillinge ready for review |
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
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.
The
diffpy.srfit.structuresubpackage is dependent on the packages we are trying to eliminate from srfit, so I added it to this package.Because
getValueandaddParameterwere not deprecated on the last srfit release they remain camelcase for now. This will have to be updated upon the next srfit release