vald broadening implementation

stardis/config_schema.yml

@@ -129,6 +129,9 @@ properties:
                             shortlist:
                                 type: boolean
                                 default: false
+                            use_vald_broadening:
+                                type: boolean
+                                default: true
                         description: Options for whether to use a vald linelist. Linelist must be included the atom_data and cannot be supplied separately. 
                     include_molecules:
                         type: boolean
@@ -143,7 +146,7 @@ properties:
         description: Number of angles to use in the simulation.
     result_options:
         type: object
-        additionalProperties: False
+        additionalProperties: false
         default: {}
         properties:
             return_model:
@@ -154,7 +157,7 @@ properties:
                 default: false
             return_radiation_field:
                 type: boolean
-                default: True
+                default: true
         description: Options for what to return from the simulation.
     required:
     - stardis_config_version

stardis/plasma/base.py

@@ -311,8 +311,8 @@ def calculate(
         linelist["level_energy_upper"] = ((linelist["e_up"].values * u.eV).cgs).value
 
         # Radiation broadening parameter is approximated as the einstein A coefficient. Vald parameters are in log scale.
-        linelist["A_ul"] = 10 ** (linelist["rad"]) / (
-            4 * np.pi
+        linelist["A_ul"] = 10 ** (
+            linelist["rad"]
         )  # see 1995A&AS..112..525P for appropriate units - may be off by a factor of 4pi
 
         # Need to remove autoionization lines - can't handle with current broadening treatment because can't calculate effective principal quantum number
@@ -449,8 +449,8 @@ def calculate(
         linelist["level_energy_upper"] = ((linelist["e_up"].values * u.eV).cgs).value
 
         # Radiation broadening parameter is approximated as the einstein A coefficient. Vald parameters are in log scale.
-        linelist["A_ul"] = 10 ** (linelist["rad"]) / (
-            4 * np.pi
+        linelist["A_ul"] = 10 ** (
+            linelist["rad"]
         )  # see 1995A&AS..112..525P for appropriate units - may be off by a factor of 4pi
 
         # Need to remove autoionization lines - can't handle with current broadening treatment because can't calculate effective principal quantum number

stardis/radiation_field/opacities/opacities_solvers/base.py

@@ -368,6 +368,7 @@ def calc_alpha_line_at_nu(
         # add ionization energy to lines
         ionization_data = stellar_plasma.ionization_data.reset_index()
         ionization_data["ion_number"] -= 1
+        ionization_data["ion_number"] = ionization_data["ion_number"]
         lines = pd.merge(
             lines, ionization_data, how="left", on=["atomic_number", "ion_number"]
         )
@@ -406,12 +407,17 @@ def calc_alpha_line_at_nu(
         .to_numpy()
     )
 
+    lines_sorted_in_range["ion_number"] = lines_sorted_in_range["ion_number"].astype(
+        int
+    )  # weird bug cropped up with ion_number being an object instead of an int
+
     gammas, doppler_widths = calculate_broadening(
         lines_sorted_in_range,
         stellar_model,
         stellar_plasma,
         line_opacity_config.broadening,
-    )  # This can be further improved by only calculating the broadening for the lines that are within the range.
+        use_vald_broadening=line_opacity_config.vald_linelist.use_vald_broadening,
+    )
 
     delta_nus = tracing_nus.value - line_nus[:, np.newaxis]
 
@@ -815,9 +821,9 @@ def calc_alphas(
         opacity_config.line,
         n_threads,
     )
-    stellar_radiation_field.opacities.opacities_dict[
-        "alpha_line_at_nu"
-    ] = alpha_line_at_nu
+    stellar_radiation_field.opacities.opacities_dict["alpha_line_at_nu"] = (
+        alpha_line_at_nu
+    )
     stellar_radiation_field.opacities.opacities_dict["alpha_line_at_nu_gammas"] = gammas
     stellar_radiation_field.opacities.opacities_dict[
         "alpha_line_at_nu_doppler_widths"