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AI-multimodal / Lightshow

A one-stop-shop for handling data in computational spectroscopy
https://ai-multimodal.github.io/Lightshow/
BSD 3-Clause "New" or "Revised" License
12 stars 9 forks source link

Add Site Multiplicities to Structure Specific Metadata #248

Closed xhqu1981 closed 6 months ago

xhqu1981 commented 6 months ago

The site multiplicities are added as a dictionary, mapping a site index into its multiplicity, to the metadata.json file in each structure folder.

codecov-commenter commented 6 months ago

Codecov Report

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

Project coverage is 47.23%. Comparing base (2e8f974) to head (f6b6cdd).

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #248 +/- ## ========================================== + Coverage 44.94% 47.23% +2.29% ========================================== Files 15 15 Lines 1266 1268 +2 ========================================== + Hits 569 599 +30 + Misses 697 669 -28 ```

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matthewcarbone commented 6 months ago

@xhqu1981 You good with me merging? Looks good to me overall!

xhqu1981 commented 6 months ago

Yes. Please go ahead. Best, Xiaohui

On Wed, Feb 28, 2024 at 8:22 PM Matthew Carbone @.***> wrote:

@xhqu1981 https://github.com/xhqu1981 You good with me merging? Looks good to me overall!

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deyulu commented 6 months ago

@xhqu1981 It looks good to me. Thanks.