wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
13 stars 4 forks source link

Refactoring codes for weight combination #24

Closed wehs7661 closed 1 year ago

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 62.74% and project coverage change: -0.46% :warning:

Comparison is base (006b608) 55.05% compared to head (9a1373e) 54.59%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #24 +/- ## ========================================== - Coverage 55.05% 54.59% -0.46% ========================================== Files 7 7 Lines 1504 1522 +18 ========================================== + Hits 828 831 +3 - Misses 676 691 +15 ``` | [Files Changed](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/24?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu) | Coverage Δ | | |---|---|---| | [ensemble\_md/utils/utils.py](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/24?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu#diff-ZW5zZW1ibGVfbWQvdXRpbHMvdXRpbHMucHk=) | `63.44% <33.33%> (-1.01%)` | :arrow_down: | | [ensemble\_md/ensemble\_EXE.py](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/24?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu#diff-ZW5zZW1ibGVfbWQvZW5zZW1ibGVfRVhFLnB5) | `73.42% <64.58%> (-1.46%)` | :arrow_down: |

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