fixup

Author: johannes-moegerle

docs/examples/angular/angular_state.ipynb

@@ -207,7 +207,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": null,
    "id": "51756a1f",
    "metadata": {},
    "outputs": [
@@ -224,7 +224,7 @@
     "ket1 = AngularKetFJ(f_c=2, l_r=1, j_r=1.5, f_tot=2.5, species=\"Yb173\")\n",
     "ket2 = AngularKetFJ(f_c=2, l_r=2, j_r=1.5, f_tot=2.5, species=\"Yb173\")\n",
     "\n",
-    "print(ket1.calc_reduced_matrix_element(ket2, operator=\"SPHERICAL\", kappa=1))\n",
+    "print(ket1.calc_reduced_matrix_element(ket2, operator=\"spherical\", kappa=1))\n",
     "print(ket1.calc_reduced_matrix_element(ket1, operator=\"s_tot\", kappa=1))"
    ]
   }

docs/examples/comparisons/compare_dipole_matrix_element.ipynb

@@ -76,7 +76,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -94,7 +94,7 @@
     "    q = round(qn2[-1] - qn1[-1])\n",
     "    state_i = RydbergStateAlkali(\"Rb\", n=qn1[0], l=qn1[1], j=qn1[2], m=qn1[3])\n",
     "    state_f = RydbergStateAlkali(\"Rb\", n=qn2[0], l=qn2[1], j=qn2[2], m=qn2[3])\n",
-    "    dipole_me = state_i.calc_matrix_element(state_f, \"ELECTRIC_DIPOLE\", q, unit=\"a.u.\")\n",
+    "    dipole_me = state_i.calc_matrix_element(state_f, \"electric_dipole\", q, unit=\"a.u.\")\n",
     "    matrixelements.append(dipole_me)\n",
     "\n",
     "results[\"ryd-numerov\"] = np.array(matrixelements)"

docs/examples/dipole_matrix_elements.ipynb

@@ -39,12 +39,12 @@
     "\n",
     "kappa = 1\n",
     "radial = state_i.radial.calc_matrix_element(state_f.radial, k_radial=1)\n",
-    "angular = state_i.angular.calc_matrix_element(state_f.angular, \"SPHERICAL\", kappa=kappa, q=0)\n",
+    "angular = state_i.angular.calc_matrix_element(state_f.angular, \"spherical\", kappa=kappa, q=0)\n",
     "prefactor = np.sqrt(4 * np.pi / (2 * kappa + 1))\n",
     "print(f\"Numerov radial matrix element: {radial}\")\n",
     "print(f\"Numerov angular matrix element: {angular}\")\n",
     "\n",
-    "dipole = state_i.calc_matrix_element(state_f, \"ELECTRIC_DIPOLE\", q=0)\n",
+    "dipole = state_i.calc_matrix_element(state_f, \"electric_dipole\", q=0)\n",
     "print(f\"Numerov dipole matrix element: {dipole}\")\n",
     "\n",
     "assert np.isclose(dipole.magnitude, (prefactor * radial * angular).magnitude), (\n",

src/ryd_numerov/angular/angular_ket.py

@@ -387,7 +387,7 @@ def calc_reduced_matrix_element(  # noqa: C901
             return self.to_state().calc_reduced_matrix_element(other.to_state(), operator, kappa)
 
         qn_name: AngularMomentumQuantumNumbers
-        if operator == "SPHERICAL":
+        if operator == "spherical":
             qn_name = "l_r"
             complete_reduced_matrix_element = calc_reduced_spherical_matrix_element(self.l_r, other.l_r, kappa)
         elif operator in self.quantum_number_names:
@@ -434,9 +434,9 @@ def calc_matrix_element(self, other: AngularKetBase, operator: AngularOperatorTy
         Args:
             other: The other AngularKet :math:`|other>`.
             operator: The operator type :math:`\hat{O}_{kq}` for which to calculate the matrix element.
-                Can be one of "MAGNETIC", "ELECTRIC", "SPHERICAL".
-            kappa: The quantum number :math:`\kappa` of the angular momentum operator.
-            q: The quantum number :math:`q` of the angular momentum operator.
+                E.g. 'spherical', 's_tot', 'l_r', etc.
+            kappa: The rank :math:`\kappa` of the angular momentum operator.
+            q: The component :math:`q` of the angular momentum operator.
 
         Returns:
             The dimensionless angular matrix element.

src/ryd_numerov/angular/angular_matrix_element.py

@@ -35,7 +35,7 @@ def lru_cache(maxsize: int) -> Callable[[Callable[P, R]], Callable[P, R]]: ...
     "identity_f_tot",
 ]
 AngularOperatorType = Literal[
-    "SPHERICAL",
+    "spherical",
     AngularMomentumQuantumNumbers,
     IdentityOperators,
 ]

src/ryd_numerov/rydberg_state.py

@@ -124,7 +124,7 @@ def calc_reduced_matrix_element(
 
         elif operator in ["electric_dipole", "electric_quadrupole", "electric_octupole", "electric_quadrupole_zero"]:
             # Electric multipole operator: p_{k,q} = e r^k_radial * sqrt(4pi / (2k+1)) * Y_{k_angular,q}(\theta, phi)
-            angular_matrix_element = self.angular.calc_reduced_matrix_element(other.angular, "SPHERICAL", k_angular)
+            angular_matrix_element = self.angular.calc_reduced_matrix_element(other.angular, "spherical", k_angular)
             matrix_element = (
                 ureg.Quantity(1, "e")
                 * math.sqrt(4 * np.pi / (2 * k_angular + 1))

tests/test_angular_matrix_elements.py

@@ -79,10 +79,10 @@ def test_reduced_identity(ket: AngularKetBase) -> None:
 @pytest.mark.parametrize(("ket1", "ket2"), TEST_KET_PAIRS)
 def test_matrix_elements_in_different_coupling_schemes(ket1: AngularKetBase, ket2: AngularKetBase) -> None:
     example_list: list[tuple[AngularOperatorType, int]] = [
-        ("SPHERICAL", 0),
-        ("SPHERICAL", 1),
-        ("SPHERICAL", 2),
-        ("SPHERICAL", 3),
+        ("spherical", 0),
+        ("spherical", 1),
+        ("spherical", 2),
+        ("spherical", 3),
         ("s_tot", 1),
         ("l_r", 1),
         ("i_c", 1),