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fix: get inchikey from data if babel fails #2316

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fix: get inchikey from data if babel fails #2316

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@headri headri commented Feb 3, 2025

Import collection with samples fails if Babel cannot generate inchikey, e.g.:
Open Babel Error in InChI code
InChI generation failed

If the import data contains molecules with inchikeys, they can be used instead.

@headri headri self-assigned this Feb 3, 2025
@headri headri requested a review from PiTrem February 3, 2025 14:27
@headri headri force-pushed the fix-import-collection branch from abcf378 to 38743f6 Compare February 3, 2025 14:40
@headri headri force-pushed the fix-import-collection branch from 38743f6 to 4cd9cea Compare February 5, 2025 14:22
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github-actions bot commented Feb 5, 2025

LCOV of commit 4cd9cea during Continuous Integration #4409

Summary coverage rate:
  lines......: 67.7% (15019 of 22177 lines)
  functions..: no data found
  branches...: no data found

Files changed coverage rate: n/a

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