test_database_rmsd
Full name: ase2sprkkr.asr.test.test_database_rmsd
Description
Functions
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Test that the duplicates (with rmsd=0)are correctly identified. |
Test that the duplicates (with rmsd=0)are correctly identified. |
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Test that rmsd=0 when comparing rotated structures. |
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Test that handling of "None" from get_rmsd is correct. |
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Test some explicit cases that have previously posed a problem. |
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Test that rattled structures have a finite rmsd. |
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Test that rmsd=0 when comparing rotated structures. |