search

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

Feature/beartype exceptions2 #52

Closed 97gamjak closed 1 month ago

97gamjak commented 1 month ago

All function that the end-user should `use are now implemented with customized runtime type checking.

Additionally, all raise and warns are substituted by corresponding logger calls.

github-actions[bot] commented 1 month ago

PYLINT REPORT

Your code has been rated at 9.85/10 (previous run: 9.86/10, -0.00)

Full report Raw metrics =========== |type |number |% |previous |difference | |----------|-------|------|---------|-----------| |code |7609 |39.85 |7509 |+100.00 | |docstring |8423 |44.11 |8413 |+10.00 | |comment |262 |1.37 |265 |-3.00 | |empty |2800 |14.66 |2788 |+12.00 | 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 |49 |49 | |warning |12 |13 |13 | |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 83.96226% with 17 lines in your changes are missing coverage. Please review.

Project coverage is 80.29%. Comparing base (cf8c754) to head (271c968). Report is 1 commits behind head on dev.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #52 +/- ## ========================================== + Coverage 80.02% 80.29% +0.26% ========================================== Files 122 122 Lines 4755 4825 +70 ========================================== + Hits 3805 3874 +69 - Misses 950 951 +1 ``` | [Flag](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52/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/52/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | `80.29% <83.96%> (+0.26%)` | :arrow_up: | | [Files](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?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/\_\_init\_\_.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9fX2luaXRfXy5weQ==) | `82.14% <100.00%> (ø)` | | | [PQAnalysis/core/atom/atom.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Fcore%2Fatom%2Fatom.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9jb3JlL2F0b20vYXRvbS5weQ==) | `98.27% <ø> (ø)` | | | [PQAnalysis/physical\_data/energy.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Fphysical_data%2Fenergy.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy9waHlzaWNhbF9kYXRhL2VuZXJneS5weQ==) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/tools/traj\_to\_com\_traj.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftools%2Ftraj_to_com_traj.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b29scy90cmFqX3RvX2NvbV90cmFqLnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/topology/api.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fapi.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9hcGkucHk=) | `63.15% <100.00%> (+6.90%)` | :arrow_up: | | [PQAnalysis/topology/bonded\_topology/angle.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fbonded_topology%2Fangle.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9ib25kZWRfdG9wb2xvZ3kvYW5nbGUucHk=) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/topology/bonded\_topology/bond.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fbonded_topology%2Fbond.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9ib25kZWRfdG9wb2xvZ3kvYm9uZC5weQ==) | `100.00% <100.00%> (ø)` | | | [...alysis/topology/bonded\_topology/bonded\_topology.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fbonded_topology%2Fbonded_topology.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9ib25kZWRfdG9wb2xvZ3kvYm9uZGVkX3RvcG9sb2d5LnB5) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/topology/bonded\_topology/dihedral.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fbonded_topology%2Fdihedral.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9ib25kZWRfdG9wb2xvZ3kvZGloZWRyYWwucHk=) | `100.00% <100.00%> (ø)` | | | [PQAnalysis/topology/shake\_topology.py](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree&filepath=PQAnalysis%2Ftopology%2Fshake_topology.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse#diff-UFFBbmFseXNpcy90b3BvbG9neS9zaGFrZV90b3BvbG9neS5weQ==) | `100.00% <100.00%> (ø)` | | | ... and [6 more](https://app.codecov.io/gh/MolarVerse/PQAnalysis/pull/52?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=MolarVerse) | |