theochem / Selector

Python library of algorithms for selecting diverse subsets of data for machine-learning.
https://selector.qcdevs.org
GNU General Public License v3.0
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Fix the KD-Tree query return #235

Closed FanwangM closed 3 months ago

FanwangM commented 3 months ago

The index of each neighbor of KD-Tree query results can be integer or array of integers. The original implementation works for the array of integers, but not including the integer case. This commit fixes the problem.

More explanations were provided in https://github.com/theochem/Selector/issues/236.

codecov[bot] commented 3 months ago

Codecov Report

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

Project coverage is 95.91%. Comparing base (d931154) to head (4c5819d). Report is 13 commits behind head on main.

Additional details and impacted files [![Impacted file tree graph](https://app.codecov.io/gh/theochem/Selector/pull/235/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/235?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem) ```diff @@ Coverage Diff @@ ## main #235 +/- ## ========================================== - Coverage 96.00% 95.91% -0.09% ========================================== Files 9 9 Lines 975 978 +3 ========================================== + Hits 936 938 +2 - Misses 39 40 +1 ``` | [Files](https://app.codecov.io/gh/theochem/Selector/pull/235?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/partition.py](https://app.codecov.io/gh/theochem/Selector/pull/235?src=pr&el=tree&filepath=selector%2Fmethods%2Fpartition.py&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=theochem#diff-c2VsZWN0b3IvbWV0aG9kcy9wYXJ0aXRpb24ucHk=) | `98.03% <100.00%> (+0.02%)` | :arrow_up: |