theochem / Selector

Methods for selecting diverse (molecular) database.
https://selector.qcdevs.org
GNU General Public License v3.0
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Rename simlarity.py to sim.py #219

Closed FanwangM closed 1 week ago

FanwangM commented 1 week ago

We have two similarity.py files which can cause ambiguity. This PR address that problem.

codecov[bot] commented 1 week ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 96.00%. Comparing base (dbc2202) to head (f09b1ef). Report is 14 commits behind head on main.

Additional details and impacted files [![Impacted file tree graph](https://app.codecov.io/gh/theochem/Selector/pull/219/graphs/tree.svg?width=650&height=150&src=pr&token=0UJixrJfNJ&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem)](https://app.codecov.io/gh/theochem/Selector/pull/219?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem) ```diff @@ Coverage Diff @@ ## main #219 +/- ## ========================================== - Coverage 96.21% 96.00% -0.22% ========================================== Files 9 9 Lines 951 975 +24 ========================================== + Hits 915 936 +21 - Misses 36 39 +3 ``` | [Files](https://app.codecov.io/gh/theochem/Selector/pull/219?dropdown=coverage&src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem) | Coverage Δ | | |---|---|---| | [selector/methods/\_\_init\_\_.py](https://app.codecov.io/gh/theochem/Selector/pull/219?src=pr&el=tree&filepath=selector%2Fmethods%2F__init__.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem#diff-c2VsZWN0b3IvbWV0aG9kcy9fX2luaXRfXy5weQ==) | `100.00% <100.00%> (ø)` | | | [selector/methods/sim.py](https://app.codecov.io/gh/theochem/Selector/pull/219?src=pr&el=tree&filepath=selector%2Fmethods%2Fsim.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem#diff-c2VsZWN0b3IvbWV0aG9kcy9zaW0ucHk=) | `95.13% <ø> (ø)` | | ... and [7 files with indirect coverage changes](https://app.codecov.io/gh/theochem/Selector/pull/219/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem)