Tests: Minor: Fix isotope SMILES in conformers tests

ReactionMechanismGenerator · Jan 5, 2025 · a0888cd · a0888cd
1 parent 7a432c4
commit a0888cd
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/arc/species/conformers_test.py b/arc/species/conformers_test.py
@@ -2421,7 +2421,7 @@ def test_replace_n_with_c_in_xyz(self):
 
     def test_get_top_element_count(self):
         """Test getting an element and isotope count for top atoms in a molecule"""
-        mol = Molecule(smiles='[2H]N[3H]CCCS')
+        mol = Molecule(smiles='[2H]N([3H])CCCS')
         top = list(range(10))
         top_element_count = conformers.get_top_element_count(mol, top)
         expected_top_element_count = {('C', -1): 3, ('H', -1): 3, ('H', 2): 1, ('H', 3): 1, ('N', -1): 1, ('S', -1): 1}