diff --git a/tests/test_model_system.py b/tests/test_model_system.py index e1551a85..fc79cd3c 100644 --- a/tests/test_model_system.py +++ b/tests/test_model_system.py @@ -271,7 +271,7 @@ def test_chemical_formula(self, chemical_symbols, atomic_numbers, formulas): ) chemical_formula = ChemicalFormula() model_system = ModelSystem(chemical_formula=chemical_formula) - model_system.atomic_cell.append(atomic_cell) + model_system.cell.append(atomic_cell) chemical_formula.normalize(None, logger) for index, name in enumerate( ['descriptive', 'reduced', 'iupac', 'hill', 'anonymous'] @@ -324,7 +324,7 @@ def test_system_type_and_dimensionality( ) ase_atoms = atomic_cell.to_ase_atoms(logger) model_system = ModelSystem() - model_system.atomic_cell.append(atomic_cell) + model_system.cell.append(atomic_cell) ( resolved_system_type, resolved_dimensionality, @@ -406,20 +406,20 @@ def test_normalize(self): periodic_boundary_conditions=[True, True, True] ) model_system = ModelSystem(is_representative=True) - model_system.atomic_cell.append(atomic_cell) + model_system.cell.append(atomic_cell) model_system.normalize(EntryArchive(), logger) # Basic quantities assertions assert model_system.type == 'bulk' assert model_system.dimensionality == 3 # AtomicCell - assert len(model_system.atomic_cell) == 3 - assert model_system.atomic_cell[0].type == 'original' - assert model_system.atomic_cell[1].type == 'primitive' - assert model_system.atomic_cell[2].type == 'conventional' + assert len(model_system.cell) == 3 + assert model_system.cell[0].type == 'original' + assert model_system.cell[1].type == 'primitive' + assert model_system.cell[2].type == 'conventional' # Symmetry assert len(model_system.symmetry) == 1 assert model_system.symmetry[0].bravais_lattice == 'hR' - assert model_system.symmetry[0].atomic_cell_ref == model_system.atomic_cell[2] + assert model_system.symmetry[0].atomic_cell_ref == model_system.cell[2] # ChemicalFormula assert model_system.chemical_formula.descriptive == 'H2O' # ElementalComposition