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add test
1 parent 5befb11 commit c6bae23

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data/h2o.xyz

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Water
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H 0.7493682 0.0000000 0.4424329
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O 0.0000000 0.0000000 -0.1653507
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H -0.7493682 0.0000000 0.4424329

tests/test_file.py

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@@ -13,3 +13,13 @@ def test_download_file():
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with open(Path("data-test")/"LiFePO4_supercell.cif", "rb") as f:
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h = hashlib.file_digest(f, "sha256")
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assert h.hexdigest() == "ea9a538dde5bb84b92e9478dbcc078bb560b28a4f5e4b0469d416bff36be272e"
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def test_download_files():
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files = ["LiFePO4_supercell.cif","h2o.xyz"]
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sha256={'LiFePO4_supercell.cif':"ea9a538dde5bb84b92e9478dbcc078bb560b28a4f5e4b0469d416bff36be272e",
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'h2o.xyz': "522ab1d36d213e48ab6e08517ec3f648c378d4b9efd257feadc64a1d8f3e66d6"}
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get_data(filename=files,,folder="data-test")
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for f in files:
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with open(Path("data-test")/f, "rb") as f:
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h = hashlib.file_digest(f, "sha256")
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assert h.hexdigest() == sha256['f']

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