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Wrap box with molbox's API#565

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umesh-timalsina wants to merge 14 commits into
mosdef-hub:mainfrom
umesh-timalsina:563-box-enh
Open

Wrap box with molbox's API#565
umesh-timalsina wants to merge 14 commits into
mosdef-hub:mainfrom
umesh-timalsina:563-box-enh

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@umesh-timalsina

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Closes #563.

@umesh-timalsina umesh-timalsina changed the title Wrap box with molbox Wrap box with molbox's API Jun 29, 2021
@justinGilmer

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/azp run

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Azure Pipelines successfully started running 1 pipeline(s).

Comment thread gmso/core/box.py
lengths = _validate_lengths(lengths)
angles = _validate_angles(angles)
print(lengths, angles)
precision = int(precision or 6)

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Does this set precision to 6 if you cant typecast precision to an int?

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I think it does because you have handled that in Molbox.

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Ah true, that makes sense.

@codecov

codecov Bot commented Jul 1, 2021

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Codecov Report

Attention: Patch coverage is 94.87179% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 90.53%. Comparing base (69fd5e2) to head (340d1dd).

❗ Current head 340d1dd differs from pull request most recent head 2d605cc. Consider uploading reports for the commit 2d605cc to get more accurate results

Files Patch % Lines
gmso/core/box.py 97.05% 1 Missing ⚠️
gmso/formats/lammpsdata.py 80.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #565      +/-   ##
==========================================
- Coverage   92.44%   90.53%   -1.91%     
==========================================
  Files          66       56      -10     
  Lines        7024     4439    -2585     
==========================================
- Hits         6493     4019    -2474     
+ Misses        531      420     -111     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@daico007 daico007 changed the base branch from old_main to main September 25, 2023 15:20
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Use molbox for box implmentation

3 participants