Update atomic_properties_webele.py

atomicfeaturespackage/atomicproperties/atomic_properties_webele.py

@@ -632,26 +632,36 @@ for obj in objs:
         obj.atomic_ie = df_Webele.iloc[count,df_Webele.columns.get_loc("Ionisation_En")]
         obj.atomic_ea = float(df_Webele.iloc[count,df_Webele.columns.get_loc("Electron_aff")])
         try:
-            
-            obj.atomic_radius = float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("atom_radii")]
-                                 ['Atomic radius (empirical)'])
             obj.atomic_radius_calculated = float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.
                                                                   get_loc("atom_radii")]
-                                             ['Atomic radius (calculated)'])
+                                                 ['Atomic radius (calculated)'])
+        except ValueError:
+            obj.atomic_radius_calculated = np.nan
+                                                 
+        try:
+            obj.atomic_radius = float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("atom_radii")]
+                                 ['Atomic radius (empirical)'])
+        except ValueError:
+            obj.atomic_radius = np.nan
+                                                 
+        try:
             obj.covalent_rad = float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("atom_radii")]
                                  ['Covalent radius (2008 values)'])
-            
+        except ValueError:
+            obj.covalent_rad = np.nan
+        
+        try:
             obj.covalent_rad_emp = float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("atom_radii")]
                                  ['Covalent radius (empirical)'])
-            
+        except ValueError:
+            obj.covalent_rad_emp = np.nan
+                                                 
+        try:
             obj.van_der_waals_rad =float(df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("atom_radii")]
                                  ['van der Waals radius'])
         except ValueError:
-            obj.atomic_radius = np.nan
-            obj.atomic_radius_calculated = np.nan
-            obj.covalent_rad = np.nan
-            obj.covalent_rad_emp = np.nan
             obj.van_der_waals_rad = np.nan
+
         obj.covalent_radius_mol = df_as_copy.iloc[count,df_as_copy.columns.get_loc("atom_radii")]
         obj.atomic_orbital_radii =  df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("orbital_radii")]
         obj.atomic_ionic_radii =  df_atomic_sizes.iloc[count,df_atomic_sizes.columns.get_loc("ionic_radii")]