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use np.testing.assert_almost_equal to compare numpy arrays#201

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amcadmus merged 1 commit into
deepmodeling:develfrom
njzjz:assert_almost_equal
Sep 14, 2021
Merged

use np.testing.assert_almost_equal to compare numpy arrays#201
amcadmus merged 1 commit into
deepmodeling:develfrom
njzjz:assert_almost_equal

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@njzjz njzjz commented Sep 13, 2021

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Codecov Report

Merging #201 (6a2ee19) into devel (674a95f) will increase coverage by 0.30%.
The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #201      +/-   ##
==========================================
+ Coverage   81.24%   81.54%   +0.30%     
==========================================
  Files          54       54              
  Lines        4554     4639      +85     
==========================================
+ Hits         3700     3783      +83     
- Misses        854      856       +2     
Impacted Files Coverage Δ
dpdata/amber/sqm.py 98.78% <0.00%> (-1.22%) ⬇️
dpdata/plugins/gromacs.py 95.00% <0.00%> (ø)
dpdata/gromacs/gro.py 98.78% <0.00%> (+0.03%) ⬆️
dpdata/bond_order_system.py 64.78% <0.00%> (+3.49%) ⬆️
dpdata/plugins/amber.py 85.71% <0.00%> (+4.23%) ⬆️
dpdata/plugins/rdkit.py 80.64% <0.00%> (+16.12%) ⬆️
dpdata/plugins/ase.py 65.45% <0.00%> (+19.30%) ⬆️

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@njzjz njzjz marked this pull request as ready for review September 13, 2021 23:21
@njzjz njzjz requested a review from amcadmus September 13, 2021 23:27
@amcadmus amcadmus merged commit 3c595ca into deepmodeling:devel Sep 14, 2021
@njzjz njzjz deleted the assert_almost_equal branch September 15, 2021 21:59
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3 participants