Repository navigation
fix: removing boost and replacing with nanobind - #91
Merged
sbillinge merged 31 commits intoOct 8, 2026
Merged
sbillinge merged 31 commits into
sbillinge merged 31 commits into
Conversation
Copy link
Copy Markdown
Contributor
Sorry, something went wrong.
…nd BondCalculator
…nd libdiffpy_version
…ty and PDFBaseline
Use the nanobind 3.1 trampoline API and avoid redispatching super calls into Python calculation hooks. Keep editable numeric contribution arrays with consistent membership and unhashable value equality. Validation: isolated wheel build; 292 tests passed on Python 3.13.
Use one Atom reference model for indexing and iteration. Surviving atoms follow index shifts, removed or replaced atoms detach, and NumPy views retain snapshots before structural changes. Support sequence edits without depending on libdiffpy vector capacity or Boost.Python boundary rules. Validation: isolated wheel build; 340 tests passed, including 48 structure lifetime cases.
Restore callable calculator exports and load historical structures and Python components. Honor subclass construction hooks, guard against accidental metadata loss, and use ordinary truth-value conversion for anisotropy callbacks. Retain direct component access without emulating native multiple inheritance. Validation: 419 tests passed, including 24 legacy pickle cases. Differential checks match 122 numerical arrays and 10 existing error outcomes against Boost.Python (maximum absolute difference 2.88e-13).
refactor: migrate Boost.Python syntax to nanobind
Copy link
Copy Markdown
Codecov Report❌ Patch coverage is 98.84868% with 7 lines in your changes missing coverage. Please review.
@@ Coverage Diff @@
## main #91 +/- ##
==========================================
+ Coverage 98.52% 98.67% +0.15%
==========================================
Files 20 27 +7
Lines 3248 3844 +596
==========================================
+ Hits 3200 3793 +593
- Misses 48 51 +3
|
Sorry, something went wrong.
This was referenced Oct 8, 2026
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
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.
No description provided.