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MolarVerse / PQAnalysis

PQAnalysis is a API/CLI python package for the analysis of MD simulations
https://molarverse.github.io/PQAnalysis/
MIT License
4 stars 2 forks source link

Dev #53

Closed 97gamjak closed 1 month ago

97gamjak commented 1 month ago

Huge merge into dev - considering about changing major version now

github-actions[bot] commented 1 month ago

PYLINT REPORT

Your code has been rated at 9.85/10 (previous run: 9.85/10, +0.00)

Full report Raw metrics =========== |type |number |% |previous |difference | |----------|-------|------|---------|-----------| |code |7609 |39.85 |7609 |= | |docstring |8423 |44.11 |8423 |= | |comment |262 |1.37 |262 |= | |empty |2800 |14.66 |2800 |= | Duplication =========== | |now |previous |difference | |-------------------------|------|---------|-----------| |nb duplicated lines |0 |0 |0 | |percent duplicated lines |0.000 |0.000 |= | Messages by category ==================== |type |number |previous |difference | |-----------|-------|---------|-----------| |convention |2 |2 |2 | |refactor |51 |51 |51 | |warning |12 |12 |12 | |error |0 |0 |0 | Messages ======== |message id |occurrences | |-------------------------------|------------| |too-many-arguments |18 | |fixme |11 | |too-many-instance-attributes |10 | |inconsistent-return-statements |9 | |too-many-locals |3 | |too-complex |3 | |duplicate-code |3 | |too-many-branches |2 | |unused-argument |1 | |trailing-newlines |1 | |too-many-statements |1 | |too-many-return-statements |1 | |too-many-public-methods |1 | |too-many-lines |1 |
codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 77.18121% with 884 lines in your changes are missing coverage. Please review.

Project coverage is 80.29%. Comparing base (9b98dd7) to head (2dfd5ec).

:exclamation: Current head 2dfd5ec differs from pull request most recent head dd6377c. Consider uploading reports for the commit dd6377c to get more accurate results

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #53 +/- ## ============================================ - Coverage 100.00% 80.29% -19.71% ============================================ Files 48 122 +74 Lines 1415 4825 +3410 ============================================ + Hits 1415 3874 +2459 - Misses 0 951 +951 ``` | [Flag](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | Coverage Δ | | |---|---|---| | [unittests](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | `80.29% <77.18%> (-19.71%)` | :arrow_down: | | [Files](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?dropdown=coverage&src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | Coverage Δ | | |---|---|---| | [PQAnalysis/analysis/\_\_init\_\_.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fanalysis%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hbmFseXNpcy9fX2luaXRfXy5weQ==) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/analysis/rdf/\_\_init\_\_.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fanalysis%2Frdf%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hbmFseXNpcy9yZGYvX19pbml0X18ucHk=) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/atomic\_system/\_\_init\_\_.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fatomic_system%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hdG9taWNfc3lzdGVtL19faW5pdF9fLnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/atomic\_system/\_decorators.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fatomic_system%2F_decorators.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hdG9taWNfc3lzdGVtL19kZWNvcmF0b3JzLnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/atomic\_system/\_positions.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fatomic_system%2F_positions.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hdG9taWNfc3lzdGVtL19wb3NpdGlvbnMucHk=) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/atomic\_system/\_standard\_properties.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fatomic_system%2F_standard_properties.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hdG9taWNfc3lzdGVtL19zdGFuZGFyZF9wcm9wZXJ0aWVzLnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/atomic\_system/exceptions.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fatomic_system%2Fexceptions.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9hdG9taWNfc3lzdGVtL2V4Y2VwdGlvbnMucHk=) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/cli/\_\_init\_\_.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fcli%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9jbGkvX19pbml0X18ucHk=) | `100.00% <ø> (ø)` | | | [PQAnalysis/cli/\_cli\_base.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fcli%2F_cli_base.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9jbGkvX2NsaV9iYXNlLnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/config.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree&filepath=PQAnalysis%2Fconfig.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9jb25maWcucHk=) | `100.00% <100.00%> (ø)` | | | ... and [112 more](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/53?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | |