Fix OrbitalsState testing

simulationdataschema/atoms_state.py

@@ -294,9 +294,8 @@ def normalize(self, archive, logger) -> None:
                     setattr(self, f'{quantum_name}_quantum_{quantum_type}', quantity)
 
         # Resolve the degeneracy
-        self.degeneracy = (
-            self.resolve_degeneracy() if self.degeneracy is None else self.degeneracy
-        )
+        if self.degeneracy is None:
+            self.degeneracy = self.resolve_degeneracy()
 
 
 class CoreHole(ArchiveSection):

tests/test_atoms_state.py

@@ -37,6 +37,24 @@ class TestOrbitalsState:
 
     logger = logging.getLogger(__name__)
 
+    @staticmethod
+    def add_quantum_numbers(orbital_state, quantum_name, quantum_type, value) -> None:
+        """Adds quantum numbers to the `OrbitalsState` section."""
+        if quantum_name == 'ml':  # l_quantum_number must be specified
+            orbital_state.l_quantum_number = 1
+        setattr(orbital_state, f'{quantum_name}_quantum_{quantum_type}', value)
+
+    @staticmethod
+    def add_state(
+        orbital_state, l_number, ml_number, ms_number, j_number, mj_number
+    ) -> None:
+        """Adds l and ml quantum numbers to the `OrbitalsState` section."""
+        orbital_state.l_quantum_number = l_number
+        orbital_state.ml_quantum_number = ml_number
+        orbital_state.ms_quantum_number = ms_number
+        orbital_state.j_quantum_number = j_number
+        orbital_state.mj_quantum_number = mj_number
+
     @pytest.fixture(autouse=True)
     def orbital_state(self) -> OrbitalsState:
         return OrbitalsState(n_quantum_number=2)
@@ -71,13 +89,16 @@ def test_number_and_symbol(
         """
         Test the number and symbol resolution for each of the quantum numbers defined in the parametrization.
         """
-        if quantum_name == 'ml':  # l_quantum_number must be specified
-            orbital_state.l_quantum_number = 1
-        setattr(orbital_state, f'{quantum_name}_quantum_{quantum_type}', value)
+        # Adding quantum numbers to the `OrbitalsState` section
+        self.add_quantum_numbers(orbital_state, quantum_name, quantum_type, value)
+
+        # Making sure that the `quantum_type` is assigned
         resolved_type = orbital_state.resolve_number_and_symbol(
             quantum_name, quantum_type, self.logger
         )
         assert resolved_type == value
+
+        # Resolving if the counter-type is assigned
         resolved_countertype = orbital_state.resolve_number_and_symbol(
             quantum_name, countertype, self.logger
         )
@@ -108,21 +129,29 @@ def test_degeneracy(
         """
         Test the degeneracy of each of orbital states defined in the parametrization.
         """
-        orbital_state.l_quantum_number = l_quantum_number
-        orbital_state.ml_quantum_number = ml_quantum_number
-        orbital_state.j_quantum_number = j_quantum_number
-        orbital_state.mj_quantum_number = mj_quantum_number
-        orbital_state.ms_quantum_number = ms_quantum_number
+        self.add_state(
+            orbital_state,
+            l_quantum_number,
+            ml_quantum_number,
+            ms_quantum_number,
+            j_quantum_number,
+            mj_quantum_number,
+        )
         resolved_degeneracy = orbital_state.resolve_degeneracy()
         assert resolved_degeneracy == degeneracy
 
     def test_normalize(self, orbital_state):
         """
         Test the normalization of the `OrbitalsState`. Inputs are defined as the quantities of the `OrbitalsState` section.
         """
+        self.add_state(orbital_state, 2, -2, None, None, None)
         orbital_state.normalize(None, self.logger)
-        # assert orbital_state.degeneracy == 6
-        # assert orbital_state.occupation == 0.0
+        assert orbital_state.n_quantum_number == 2
+        assert orbital_state.l_quantum_number == 2
+        assert orbital_state.l_quantum_symbol == 'd'
+        assert orbital_state.ml_quantum_number == -2
+        assert orbital_state.ml_quantum_symbol == 'xy'
+        assert orbital_state.degeneracy == 2
 
 
 class TestCoreHole:
@@ -202,22 +231,18 @@ class TestHubbardInteractions:
     logger = logging.getLogger(__name__)
 
     @staticmethod
-    def add_slater_interactions(
-        hubbard_interactions, slater_integrals
-    ) -> HubbardInteractions:
+    def add_slater_interactions(hubbard_interactions, slater_integrals) -> None:
         """Adds `slater_integrals` (in eV) to the `HubbardInteractions` section."""
         if slater_integrals is not None:
             hubbard_interactions.slater_integrals = slater_integrals * ureg('eV')
-        return hubbard_interactions
 
     @staticmethod
-    def add_u_j(hubbard_interactions, u, j) -> HubbardInteractions:
+    def add_u_j(hubbard_interactions, u, j) -> None:
         """Adds `u_interaction` and `j_local_exchange_interaction` (in eV) to the `HubbardInteractions` section."""
         if u is not None:
             hubbard_interactions.u_interaction = u * ureg('eV')
         if j is not None:
             hubbard_interactions.j_local_exchange_interaction = j * ureg('eV')
-        return hubbard_interactions
 
     @pytest.fixture(autouse=True)
     def hubbard_interactions(self) -> HubbardInteractions: