From a423fa04ce1ec49dcf47141e420eb27810b91c04 Mon Sep 17 00:00:00 2001 From: chrisjonesBSU Date: Thu, 30 Jan 2025 14:39:16 -0700 Subject: [PATCH] fix label name in test --- flowermd/tests/base/test_molecule.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/flowermd/tests/base/test_molecule.py b/flowermd/tests/base/test_molecule.py index b6ad615c..4f066064 100644 --- a/flowermd/tests/base/test_molecule.py +++ b/flowermd/tests/base/test_molecule.py @@ -207,8 +207,8 @@ def test_polymer_different_chain_lengths(self, dimethylether_smiles): bond_orientation=[None, None], ) assert polymer.n_particles == 53 - assert len(polymer.molecules[0].labels["Compound"]) == 3 - assert len(polymer.molecules[1].labels["Compound"]) == 4 + assert len(polymer.molecules[0].labels["all-monomers"]) == 3 + assert len(polymer.molecules[1].labels["all-monomers"]) == 4 def test_polymer_different_num_mol(self, dimethylether_smiles): polymer = Polymer( @@ -220,9 +220,9 @@ def test_polymer_different_num_mol(self, dimethylether_smiles): bond_orientation=[None, None], ) assert polymer.n_particles == 55 - assert len(polymer.molecules[0].labels["Compound"]) == 3 - assert len(polymer.molecules[1].labels["Compound"]) == 2 - assert len(polymer.molecules[2].labels["Compound"]) == 2 + assert len(polymer.molecules[0].labels["all-monomers"]) == 3 + assert len(polymer.molecules[1].labels["all-monomers"]) == 2 + assert len(polymer.molecules[2].labels["all-monomers"]) == 2 def test_polymer_unequal_num_mol_length(self, dimethylether_smiles): with pytest.raises(ValueError):