used site.element if atom_type.tags["element"] does not exist

mosdef-hub · Nov 28, 2023 · 918a1b1 · 918a1b1
1 parent a038bc1
commit 918a1b1
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/gmso/formats/top.py b/gmso/formats/top.py
@@ -166,7 +166,9 @@ def write_top(top, filename, top_vars=None):
                         site.atom_type.name,
                         str(site.molecule.number if site.molecule else 1),
                         tag,
-                        site.atom_type.tags["element"],
+                        site.atom_type.tags.get(
+                            ["element"], site.element.symbol
+                        ),
                         "1",  # TODO: care about charge groups
                         site.charge.in_units(u.elementary_charge).value,
                         site.atom_type.mass.in_units(u.amu).value,