ruff fixes

Author: jonathanjdenney

pymatgen/analysis/fstar/fstar.py

@@ -76,7 +76,7 @@ def edit_fstar_diagram(self, combine_list=False, plot_list=False, **kwargs):
 
     def get_site_labels(self):
         """
-        Generates unique site labels based on composition, order, and symetry equivalence in the structure object.
+        Generates unique site labels based on composition, order, and symmetry equivalence in the structure object.
         Ex:
         Structure Summary
         Lattice
@@ -144,14 +144,10 @@ def get_fstar_coords(self):
                                 if n == str(sp.element):
                                     f_occ = float(NEUTRON_SCATTER_DF.loc[i]['Coh b']) * occ
                                     break
-                                else:
-                                    continue
                             else:
                                 if n == str(sp):
                                     f_occ = float(NEUTRON_SCATTER_DF.loc[i]['Coh b']) * occ
                                     break
-                                else:
-                                    continue
                     if self._scatter == 'Custom':
                         if hasattr(sp, "element"):
                             f_occ = self._custscat(str(sp.element), occ, ind1, ind2)

tests/analysis/fstar/test_fstar.py

@@ -23,8 +23,8 @@ def test_edit_fstar_diagram(self):
         new.edit_fstar_diagram(combine_list=[['[0.  0.  0.5]Co', '[0. 0. 0.]Li']])
         self.assertEqual(new.site_labels, ['[0. 0. 0.]Li', '[0.  0.  0.5]Co', '[0.   0.   0.25]O',
                                            "['[0.  0.  0.5]Co', '[0. 0. 0.]Li']"])
-        self.assertEqual(list(new.coords["['[0.  0.  0.5]Co', '[0. 0. 0.]Li']"].values),
-                         list(self.fstar.coords['[0. 0. 0.]Li'].values+self.fstar.coords['[0.  0.  0.5]Co'].values))
+        self.assertEqual(list(new.coords["['[0.  0.  0.5]Co', '[0. 0. 0.]Li']"].to_numpy()),
+                         list(self.fstar.coords['[0. 0. 0.]Li'].values+self.fstar.coords['[0.  0.  0.5]Co'].to_numpy()))
         self.assertEqual(self.fstar.plot, new.plot)
         new.edit_fstar_diagram(plot_list=['[0.  0.  0.5]Co', '[0.   0.   0.25]O', '[0. 0. 0.]Li'])
         self.assertTrue(self.fstar.plot != new.plot)