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Unpin ASE, fix test #627

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merged 3 commits into from
Feb 6, 2025
Merged

Unpin ASE, fix test #627

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c962b67
Unpin ASE
danielhollas Jul 24, 2024
0955ea2
Fix cif test
danielhollas Feb 6, 2025
a91d758
Avoid storing temporary files from povray
danielhollas Feb 6, 2025
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2 changes: 1 addition & 1 deletion setup.cfg
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Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ install_requires =
aiida-core>=2.1,<3
aiidalab>=21.11.2
ansi2html~=1.6
ase~=3.18,<3.23
ase~=3.18
bokeh~=2.0
humanfriendly~=10.0
ipytree~=0.2
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8 changes: 5 additions & 3 deletions tests/test_viewers.py
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Expand Up @@ -72,7 +72,7 @@ def test_folder_data_viewer(folder_data_object):


@pytest.mark.usefixtures("aiida_profile_clean")
def test_structure_data_viewer_storage(structure_data_object):
def test_structure_data_viewer_storage(monkeypatch, tmp_path, structure_data_object):
v = viewers.viewer(structure_data_object)
assert isinstance(v, viewers.StructureDataViewer)

Expand All @@ -88,13 +88,13 @@ def test_structure_data_viewer_storage(structure_data_object):
),
(
"cif",
"""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""",
"""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""",
),
]

for fmt, out in format_cases:
v.file_format.label = fmt
assert v._prepare_payload() == out
assert v._prepare_payload() == out, f"{fmt} structure payload does not match"

# Monkey patch the viewer to avoid the need for a running X server.
# fmt: off
Expand All @@ -105,6 +105,8 @@ def test_structure_data_viewer_storage(structure_data_object):
-1.6859999895095825, -1.6859999895095825, -0.6669999957084656, 1,
]
# fmt: on
# Avoid producing temporary files from povray in the repo
monkeypatch.chdir(tmp_path)
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@danielhollas danielhollas Feb 6, 2025 •
edited
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This test produces Si2.png and __temp__.pov files so we change the current working directory to a tmp_path. Ultimately this should probably be fixed somewhere in the _render_structure code. I'll do that in a separate PR.

v._render_structure()


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