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Raise error when from_deepmd_npy_mixed with not-a-directory para. #432

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Raise error when from_deepmd_npy_mixed with not-a-directory para. #432

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Raise error when dpdata.MultiSystem calls from_deepmd_npy_mixed with …
iProzd Mar 12, 2023
91deabf
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Mar 12, 2023
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1 change: 1 addition & 0 deletions dpdata/plugins/deepmd.py
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Original file line number Diff line number Diff line change
Expand Up @@ -136,6 +136,7 @@ def mix_system(self, *system, type_map, **kwargs):

def from_multi_systems(self, directory, **kwargs):
sys_dir = []
assert os.path.isdir(directory), f"{directory} is not a directory!"
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Please raise FileNotFoundError. One has not chance of catching the error with assertion!
Plz also add a UT for it.

for root, dirs, files in os.walk(directory):
if (
"type_map.raw" in files
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