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aiidalab / aiidalab-widgets-base

Reusable widgets for AiiDAlab applications
MIT License
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SmilesWidget: Fix generation of 1- and 2-atom molecules #489

Closed danielhollas closed 1 year ago

danielhollas commented 1 year ago

Fixes #477

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.08 :tada:

Comparison is base (c87b724) 79.45% compared to head (bf898f5) 79.53%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #489 +/- ## ========================================== + Coverage 79.45% 79.53% +0.08% ========================================== Files 27 27 Lines 3728 3734 +6 ========================================== + Hits 2962 2970 +8 + Misses 766 764 -2 ``` | Flag | Coverage Δ | | |---|---|---| | python-3.10 | `?` | | | python-3.8 | `79.53% <100.00%> (+0.04%)` | :arrow_up: | | python-3.9 | `79.53% <100.00%> (+0.04%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#carryforward-flags-in-the-pull-request-comment) to find out more. | [Impacted Files](https://app.codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/489?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab) | Coverage Δ | | |---|---|---| | [aiidalab\_widgets\_base/structures.py](https://app.codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/489?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-YWlpZGFsYWJfd2lkZ2V0c19iYXNlL3N0cnVjdHVyZXMucHk=) | `75.15% <100.00%> (+0.03%)` | :arrow_up: | | [tests/test\_structures.py](https://app.codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/489?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-dGVzdHMvdGVzdF9zdHJ1Y3R1cmVzLnB5) | `100.00% <100.00%> (ø)` | | ... and [3 files with indirect coverage changes](https://app.codecov.io/gh/aiidalab/aiidalab-widgets-base/pull/489/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab)

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danielhollas commented 1 year ago

The failing unit tests are due to https://github.com/aiidateam/aiida-core/pull/6056

danielhollas commented 1 year ago

@yakutovicha thanks! Is it okay if I release AWB 2.0.1 now? I'd like to have this fix available to my app ASAP.

yakutovicha commented 1 year ago

@yakutovicha thanks! Is it okay if I release AWB 2.0.1 now? I'd like to have this fix available to my app ASAP.

sure, go ahead 👍