added a new exception for AtomType Error into family.py. This is beca…

…use the 1,2+Cycloaddition family was giving problems in .add_rate_rules_from_training

rmgpy/data/kinetics/family.py

@@ -53,7 +53,7 @@
 from rmgpy.data.kinetics.groups import KineticsGroups
 from rmgpy.data.kinetics.rules import KineticsRules
 from rmgpy.exceptions import ActionError, DatabaseError, InvalidActionError, KekulizationError, KineticsError, \
-                             ForbiddenStructureException, UndeterminableKineticsError
+                             ForbiddenStructureException, UndeterminableKineticsError, AtomTypeError
 from rmgpy.kinetics import Arrhenius, SurfaceArrhenius, SurfaceArrheniusBEP, StickingCoefficient, \
                            StickingCoefficientBEP, ArrheniusBM
 from rmgpy.kinetics.uncertainties import RateUncertainty, rank_accuracy_map
@@ -1168,6 +1168,9 @@ def add_rules_from_training(self, thermo_database=None, train_indices=None):
         For each reaction involving real reactants and products in the training
         set, add a rate rule for that reaction.
         """
+        #added in by NK
+        print(self.label)
+        logging.info(self.label)
         if self.auto_generated:
             warnings.warn(f'add_rules_from_training should be only called for non-ATG families, '
                           f'but {self.label} is an ATG family. Skip this function call. '
@@ -1380,7 +1383,10 @@ def apply_recipe(self, reactant_structures, forward=True, unique=True, relabel_a
         If ``relabel_atoms`` is ``True``, product atom labels of reversible families
         will be reversed to assist in identifying forbidden structures.
         """
-
+        #added in by NK
+        print(reactant_structures)
+        logging.info(reactant_structures)
+
         # There is some hardcoding of reaction families in this function, so
         # we need the label of the reaction family for this
         label = self.label.lower()
@@ -1663,7 +1669,7 @@ def _generate_product_structures(self, reactant_structures, maps, forward, relab
             product_structures = self.apply_recipe(reactant_structures, forward=forward, relabel_atoms=relabel_atoms)
             if not product_structures:
                 return None
-        except (InvalidActionError, KekulizationError):
+        except (InvalidActionError, KekulizationError, AtomTypeError): #added in by NK
             # If unable to apply the reaction recipe, then return no product structures
             return None
         except ActionError: