Merge pull request #61 from CalCraven/main

chrisjonesBSU · web-flow · commit 91572325376c · 2025-11-02T22:27:25.000Z
Fix ffutils failing bleeding edge tests
diff --git a/forcefield_utilities/tests/test_gmso_xml.py b/forcefield_utilities/tests/test_gmso_xml.py
@@ -247,8 +247,8 @@ def test_dihedral_params(self, propanol_ua_mie_list):
             [0.0, 0.4169552, -0.05796675, 0.3734553, 0.0, 0.0] * u.kcal / u.mol,
         )
 
-        dih_with_list_wildcards = propanol_ua_mie_list.get_potential(
-            group="dihedral_type", key=["", "CH", "O", "H"]
+        dih_with_list_wildcards, _ = propanol_ua_mie_list.get_potential(
+            group="dihedral_type", key=["*", "CH", "O", "*"]
         )
         params_wildcards_dihedrals = dih_with_list_wildcards.get_parameters()
         assert u.allclose_units(

Original file line number	Diff line number	Diff line change
`@@ -247,8 +247,8 @@ def test_dihedral_params(self, propanol_ua_mie_list):`
`247`	`247`	`[0.0, 0.4169552, -0.05796675, 0.3734553, 0.0, 0.0] * u.kcal / u.mol,`
`248`	`248`	`)`
`249`	`249`
`250`		`- dih_with_list_wildcards = propanol_ua_mie_list.get_potential(`
`251`		`- group="dihedral_type", key=["", "CH", "O", "H"]`
	`250`	`+ dih_with_list_wildcards, _ = propanol_ua_mie_list.get_potential(`
	`251`	`+ group="dihedral_type", key=["", "CH", "O", ""]`
`252`	`252`	`)`
`253`	`253`	`params_wildcards_dihedrals = dih_with_list_wildcards.get_parameters()`
`254`	`254`	`assert u.allclose_units(`