Coverage for gpaw/test/test_warn_missing_mode.py: 81%

1"""Make sure we get a warning when mode is not supplied.""" 

2from ase.build import molecule 

3from gpaw.calculator import DeprecatedParameterWarning 

4from gpaw import GPAW 

5import pytest 

6 

7 

8@pytest.mark.ci 

9def test_no_mode_supplied(gpaw_new: bool) -> None: 

10 if gpaw_new: 

11 with pytest.raises(TypeError): 

12 GPAW() 

13 return 

14 a = 6.0 

15 hydrogen = molecule('H2', cell=[a, a, a]) 

16 hydrogen.center() 

17 with pytest.warns(DeprecatedParameterWarning): 

18 hydrogen.calc = GPAW() 

19 hydrogen.calc.initialize(hydrogen)