Various improvements#29
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johannes-moegerle merged 4 commits intopairinteraction:v0.10afrom Mar 9, 2026
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Pull request overview
This PR refactors and extends parts of the angular/rydberg/basis APIs (typing and utility consolidation), updates packaging metadata (Python >= 3.10), and adjusts tests to reflect current coupling-scheme support.
Changes:
- Moved coupling-scheme-related types/exceptions and
quantum_numbers_to_angular_ketintorydstate.angular.utilsand updated imports accordingly. - Added
nu_refas a requiredRydbergStateBaseproperty and updated basis filtering/quantum-number extraction to usenu_refand return numpy arrays. - Updated SQDT Rydberg state initialization/representation and modified tests (including skipping a JJ/FJ coupling test section).
Reviewed changes
Copilot reviewed 10 out of 10 changed files in this pull request and generated 4 comments.
Show a summary per file
| File | Description |
|---|---|
| tests/test_basis.py | Skips JJ/FJ coupling basis compatibility assertions. |
| tests/test_angular_matrix_elements.py | Updates type-only imports for CouplingScheme. |
| src/rydstate/rydberg/rydberg_sqdt.py | Refactors SQDT state initialization, repr, and nu/nu_ref behavior. |
| src/rydstate/rydberg/rydberg_base.py | Adds abstract nu_ref property requirement. |
| src/rydstate/basis/basis_sqdt.py | Broadens species typing to accept SpeciesObject. |
| src/rydstate/basis/basis_base.py | Switches some qn helpers to NDArray and replaces nu_energy with nu_ref. |
| src/rydstate/angular/utils.py | Introduces CouplingScheme, InvalidQuantumNumbersError, and quantum_numbers_to_angular_ket. |
| src/rydstate/angular/angular_state.py | Broadens AngularState coefficient typing to accept NDArray. |
| src/rydstate/angular/angular_ket.py | Imports shared types/errors from angular.utils and centralizes AngularState creation helper. |
| pyproject.toml | Raises minimum Python version to 3.10 and adjusts optional dependencies/groups. |
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Pull request overview
Copilot reviewed 12 out of 12 changed files in this pull request and generated 3 comments.
Comments suppressed due to low confidence (1)
tests/test_basis.py:67
- The test currently ends with creating a new
BasisSQDTAlkalineLSand filtering it, but there are no assertions afterward. This looks like leftover code from the removed JJ/FJ cross-basis overlap checks, and it no longer verifies anything. Either restore assertions for the intended behavior or remove these lines to avoid a misleading no-op test tail.
basis = BasisSQDTAlkalineLS(species_name, n_min=30, n_max=35)
basis.filter_states("l_r", (6, 10))
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