Spglib 2.4 compatibility: handle TypeError when passing empty cell #298
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Some sanity-checking has been added to spglib and now this scenario leads to a TypeError before the SymmetryDetectionError is reached.
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Perhaps it would be wise to explicitly check that a TypeError was caused by an empty cell, and not some other problematic number of atoms. But first I'd like to see how CI does on this version! We also need a changelog update. |
The "positions has to be" string can also arise from other inconsistencies in data size, which we might be less happy about.
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Ok, should be ready for review! |
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Some sanity-checking has been added to spglib and now this scenario leads to a TypeError before the SymmetryDetectionError is reached.
This has been causing test failures on unrelated branches as the CI is using the new version of spglib
closes #297