1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
|
import pytest
from ase.build import molecule
from ase.calculators.emt import EMT
# Careful testing since these deprecated functions will otherwise be untested.
@pytest.fixture
def atoms():
return molecule('H2O')
def test_set_calculator(atoms):
calc = EMT()
with pytest.deprecated_call():
atoms.set_calculator(calc)
assert atoms.calc is calc
def test_get_calculator(atoms):
with pytest.deprecated_call():
assert atoms.get_calculator() is None
def test_del_calculator(atoms):
atoms.calc = EMT()
with pytest.deprecated_call():
del atoms.calc
assert atoms.calc is None
|
