Merge pull request #129 from marrink-lab/msg-repair

Improve error message when residue is not recognozed by repair_graph
marrink-lab · Sep 29, 2018 · fea0345 · fea0345
2 parents 3fc016b + 4789b35
commit fea0345
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/vermouth/processors/repair_graph.py b/vermouth/processors/repair_graph.py
@@ -306,8 +306,9 @@ def run_system(self, system):
                 if not self.delete_unknown:
                     raise err
                 else:
-                    LOGGER.warning("Can't recognize molecule {}. Deleting.",
-                                   idx, type='unknown-residue')
+                    LOGGER.warning("Cannot recognize residue {} in  molecule {}. "
+                                   "Deleting the molecule.",
+                                   str(err), idx, type='unknown-residue')
             else:
                 mols.append(new_molecule)
         system.molecules = mols