nomad-coe / nomad-simulations / 19302761148

82%

develop: 82%

Build Type

Pull #215

github

Committed by ndaelman-hu

Commit Message

Refactor Occupancy class to use Pattern A (ElectronicState gateway)

Complete Pattern A migration by refactoring the Occupancy class:

1. Remove atoms_state_ref field (deprecated Pattern B)
2. Update orbitals_state_ref description to document parent navigation
3. Update class docstring to explain ElectronicState gateway pattern
4. Update value description to remove atoms_state_ref reference

With this change, all property classes now consistently use Pattern A:
- Single orbital/entity reference pointing to ElectronicState
- Navigate to parent AtomsState via get_parent_entity()
- No circular references or dual reference patterns

All 673 tests pass with these changes.

Pull Request Pull Request #215: Electronic structure navigation

Run Details

270 of 423 new or added lines in 9 files covered. (63.83%)

17 existing lines in 4 files now uncovered.

6671 of 8194 relevant lines covered (81.41%)

2.44 hits per line