Restore the atom labels to every molecule.

I think this part that puts the atom labels back
should probably be inside the loop where we took them off
so that all the molecules get their labels back.

Author: rwest

rmgpy/data/thermo.py

@@ -1640,6 +1640,13 @@ def lowest_energy(species):
             add_thermo_data(thermo, adsorption_thermo, group_additivity=True)
 
             resonance_data.append(thermo)
+            # if the molecule had labels, reapply them
+            for label, atom in labeled_atoms.items():
+                if isinstance(atom,list):
+                    for a in atom:
+                        a.label = label
+                else:
+                    atom.label = label
 
         # Get the enthalpy of formation of every adsorbate at 298 K and determine the resonance structure with the lowest enthalpy of formation
         # We assume that the lowest enthalpy of formation is the correct thermodynamic property for the adsorbate
@@ -1656,14 +1663,6 @@ def lowest_energy(species):
 
         find_cp0_and_cpinf(species, thermo)
 
-        # if the molecule had labels, reapply them 
-        for label,atom in labeled_atoms.items():
-            if isinstance(atom,list):
-                for a in atom:
-                    a.label = label
-            else:
-                atom.label = label
-
         return thermo
 
     def _add_adsorption_correction(self, adsorption_thermo, adsorption_groups, molecule, surface_sites):