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Fix cell testing after rebasing
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JosePizarro3 committed Mar 14, 2024
1 parent 3ed7cc5 commit 7292bd6
Showing 1 changed file with 8 additions and 8 deletions.
16 changes: 8 additions & 8 deletions tests/test_model_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -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']
Expand Down Expand Up @@ -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,
Expand Down Expand Up @@ -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
Expand Down

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