duartegroup / autodE

automated reaction profile generation
https://duartegroup.github.io/autodE/
MIT License
173 stars 52 forks source link

fix no solvent #334

Closed t-young31 closed 7 months ago

t-young31 commented 7 months ago

Resolves #333

Thanks for catching this @shoubhikraj – very not ideal


Checklist

codecov[bot] commented 7 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 97.45%. Comparing base (c9c2c2b) to head (4cc3951).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## v1.4.3 #334 +/- ## ========================================== + Coverage 97.42% 97.45% +0.03% ========================================== Files 209 209 Lines 23761 23769 +8 ========================================== + Hits 23148 23163 +15 + Misses 613 606 -7 ``` | [Flag](https://app.codecov.io/gh/duartegroup/autodE/pull/334/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/duartegroup/autodE/pull/334/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=duartegroup) | `97.45% <100.00%> (+0.03%)` | :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=duartegroup#carryforward-flags-in-the-pull-request-comment) to find out more.

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shoubhikraj commented 7 months ago

All seems good 👍