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Various improvements#29

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johannes-moegerle merged 4 commits intopairinteraction:v0.10afrom
johannes-moegerle:various-improvements
Mar 9, 2026
Merged

Various improvements#29
johannes-moegerle merged 4 commits intopairinteraction:v0.10afrom
johannes-moegerle:various-improvements

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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_ket into rydstate.angular.utils and updated imports accordingly.
  • Added nu_ref as a required RydbergStateBase property and updated basis filtering/quantum-number extraction to use nu_ref and 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 BasisSQDTAlkalineLS and 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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@johannes-moegerle johannes-moegerle merged commit 1bc0fec into pairinteraction:v0.10a Mar 9, 2026
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@johannes-moegerle johannes-moegerle deleted the various-improvements branch March 9, 2026 16:18
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2 participants