OpenFreeEnergy / kartograf

This package contains tools for setting up hybrid-topology FE calculations
https://kartograf.readthedocs.io/
MIT License
25 stars 3 forks source link

Minor Update #11

Closed RiesBen closed 1 year ago

RiesBen commented 1 year ago

Changes:

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 37.93% and project coverage change: -5.55% :warning:

Comparison is base (d496bbf) 93.37% compared to head (e7a6c89) 87.82%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #11 +/- ## ========================================== - Coverage 93.37% 87.82% -5.55% ========================================== Files 12 14 +2 Lines 528 583 +55 ========================================== + Hits 493 512 +19 - Misses 35 71 +36 ``` | [Files Changed](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [...rc/kartograf/utils/mapping\_visualization\_widget.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi91dGlscy9tYXBwaW5nX3Zpc3VhbGl6YXRpb25fd2lkZ2V0LnB5) | `27.77% <27.77%> (ø)` | | | [src/kartograf/atom\_mapper.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi9hdG9tX21hcHBlci5weQ==) | `88.32% <33.33%> (-0.65%)` | :arrow_down: | | [src/kartograf/utils/optional\_imports.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi91dGlscy9vcHRpb25hbF9pbXBvcnRzLnB5) | `50.00% <50.00%> (ø)` | | | [src/kartograf/atom\_mapping\_scorer.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi9hdG9tX21hcHBpbmdfc2NvcmVyLnB5) | `100.00% <100.00%> (ø)` | | | [...c/kartograf/mapping\_metrics/metric\_volume\_ratio.py](https://app.codecov.io/gh/OpenFreeEnergy/kartograf/pull/11?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy#diff-c3JjL2thcnRvZ3JhZi9tYXBwaW5nX21ldHJpY3MvbWV0cmljX3ZvbHVtZV9yYXRpby5weQ==) | `97.05% <100.00%> (ø)` | |

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