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SINTEF / oteapi-optimade

A plugin repository for OTE API implementing OPTIMADE strategies and capabilities.
https://SINTEF.github.io/oteapi-optimade
MIT License
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Single SOFT entity for structure resource #196

Closed CasperWA closed 2 months ago

CasperWA commented 11 months ago

Closes #195

This PR slightly renames the Python API and adds a new SOFT7 entity to single-handedly describe an OPTIMADE structure resource.

This is at the cost of DLite support for this entity, due to the usage of the dict type (supported by SOFT7), and also a slight loss of semantics, as the dict property values will inevitably not be documented further.

codecov[bot] commented 11 months ago

Codecov Report

Attention: Patch coverage is 62.50000% with 48 lines in your changes missing coverage. Please review.

Project coverage is 73.31%. Comparing base (55e6985) to head (cd29f08). Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
oteapi_optimade/dlite/parse.py 62.31% 26 Missing :warning:
oteapi_optimade/_utils.py 57.14% 21 Missing :warning:
oteapi_optimade/models/strategies/parse.py 87.50% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #196 +/- ## ========================================== - Coverage 75.45% 73.31% -2.15% ========================================== Files 14 15 +1 Lines 546 637 +91 ========================================== + Hits 412 467 +55 - Misses 134 170 +36 ``` | [Flag](https://app.codecov.io/gh/SINTEF/oteapi-optimade/pull/196/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=SINTEF) | Coverage Δ | | |---|---|---| | [local](https://app.codecov.io/gh/SINTEF/oteapi-optimade/pull/196/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=SINTEF) | `73.31% <62.50%> (-2.15%)` | :arrow_down: | 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=SINTEF#carryforward-flags-in-the-pull-request-comment) to find out more.

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