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
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
|
import sys
import pytest
from ase.io import read
from ase.visualize import view
from ase.visualize.external import PyViewer, CLIViewer
from ase.build import bulk
@pytest.fixture
def atoms():
return bulk('Au')
def test_view_ase(atoms):
viewer = view(atoms)
assert viewer.poll() is None
# Can we stop in a different way?
viewer.terminate()
status = viewer.wait()
assert status != 0
def test_view_ase_via_cli(atoms):
# Not a very good test, how can we assert something about the viewer?
viewer = view(atoms, viewer='ase_gui_cli')
assert viewer.poll() is None
viewer.terminate()
status = viewer.wait()
assert status != 0
def test_bad_viewer(atoms):
with pytest.raises(KeyError):
view(atoms, viewer='_nonexistent_viewer')
def test_py_viewer_mock(atoms, monkeypatch):
def mock_view(self, atoms, repeat=None):
print(f'viewing {atoms} with mock "{self.name}"')
return (atoms, self.name)
monkeypatch.setattr(PyViewer, 'sage', mock_view, raising=False)
(atoms1, name1) = view(atoms, viewer='sage')
assert name1 == 'sage'
assert atoms1 == atoms
atoms2, name2 = view(atoms, viewer='sage', repeat=(2, 2, 2), block=True)
assert name2 == 'sage'
assert len(atoms2) == 8 * len(atoms)
@pytest.mark.parametrize('viewer', CLIViewer.viewers())
def test_cli_viewer_tempfile(atoms, viewer):
with viewer.mktemp(atoms) as path:
atoms1 = read(path)
# Some formats do not include cell etc., so we only check that
# the atoms are "consistent-ish".
# Note: This would fail if we forgot to flush() in mktemp().
assert all(atoms1.symbols == atoms.symbols)
assert not path.exists()
@pytest.fixture
def mock_viewer():
return CLIViewer('dummy', 'traj', [sys.executable, '-m', 'ase', 'info'])
def test_cli_viewer_blocking(atoms, mock_viewer):
mock_viewer.view_blocking(atoms)
def test_cli_viewer(atoms, mock_viewer):
handle = mock_viewer.view(atoms)
status = handle.wait()
assert status == 0
|
