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Add informative error message to SymmetryUndeterminedError #4155

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kavanase
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@kavanase kavanase commented Nov 5, 2024

After pulling my hair out for a little while, trying to figure out why I was getting SymmetryUndeterminedErrors when trying to initialise SpacegroupAnalyzer with a particular structure (which currently don't come with any message), I realised that spglib.get_error_message() can be called to get an error message for why no result was obtained.
This is a small update to include the spglib.get_error_message() message in SymmetryUndeterminedError, so the user has some idea why it failed.

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mkhorton commented Nov 5, 2024

Appreciate the improvement, thanks @kavanase !

@mkhorton mkhorton enabled auto-merge (squash) November 5, 2024 20:12
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