add structure catch ValueError for DefectSetup, to avoid future TransformationFW failures

Author: dbroberg

atomate/vasp/firetasks/defects.py

@@ -379,6 +379,8 @@ def get_charges_from_inter( inter_elt):
                 chgdef_trans = ["DefectTransformation"]
                 chgdef_trans_params = [{"scaling_matrix": supercell_size,
                                         "defect": defect_for_trans_param}]
+                if structure != defect_for_trans_param.bulk_structure:
+                    raise ValueError("Defect bulk_structure is not the same as input structure.")
 
                 def_tag = "{}:{}_{}_{}atoms".format(structure.composition.reduced_formula,
                                                       defect.name, charge, num_atoms)