More informative error logging when adsorption thermo fails.

If you can't find adsorption energy group value, log the adjacency list of the molecule.
rwest · Apr 30, 2020 · c996918 · c996918
1 parent 6ad5dcb
commit c996918
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/rmgpy/data/thermo.py b/rmgpy/data/thermo.py
@@ -1498,7 +1498,7 @@ def get_thermo_data_for_surface_species(self, species):
         )
         try:
             self._add_group_thermo_data(adsorption_thermo, self.groups['adsorptionPt'], molecule, {})
-        except KeyError:
+        except (KeyError, DatabaseError):
             logging.error("Couldn't find in adsorption thermo database:")
             logging.error(molecule)
             logging.error(molecule.to_adjacency_list())