Clarify error in applying forcefield (#549)

* Clarify error in applying forcefield * Update foyer/atomtyper.py Co-authored-by: CalCraven <[email protected]> --------- Co-authored-by: CalCraven <[email protected]>
mosdef-hub · May 16, 2024 · 6939db1 · 6939db1
1 parent a2b9975
commit 6939db1
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/foyer/atomtyper.py b/foyer/atomtyper.py
@@ -227,7 +227,7 @@ def _resolve_atomtypes(topology_graph, typemap):
             )
         else:
             raise FoyerError(
-                "Found no types for atom {} ({}).".format(
+                "Found no types for atom numbered {} which is atomic number {}. Forcefield file is missing this atomtype, so try to add SMARTS definitions to account for this atom.".format(
                     atom_id, atoms[atom_id].atomic_number
                 )
             )