Add support for non-supercell clusters/molecules #209
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For loading structures from disk, there was a fragile de-duplication of paths which didn't really ever work as expected. This has now been removed. Structure "names" are now simply indexes, with their origin paths saved as metadata.
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Note to self for later: I need to fix some bugs here with the local loading/writing key errors. |
Codecov ReportAttention:
❗ Your organization needs to install the Codecov GitHub app to enable full functionality. Additional details and impacted files@@ Coverage Diff @@
## master #209 +/- ##
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- Coverage 80.03% 77.21% -2.83%
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Files 13 13
Lines 1042 1040 -2
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- Hits 834 803 -31
- Misses 208 237 +29 ☔ View full report in Codecov by Sentry. |
matthewcarbone
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matthewcarbone
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Resolve #196.