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Add structure factor wrapper #62

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merged 12 commits into from
Oct 13, 2023

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chrisjonesBSU
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This PR adds a function that acts as a wrapper for freud's 1D structure factor objects. It basically follows the same structure/format as the gsd_rdf function.

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codecov bot commented Oct 13, 2023

Codecov Report

Merging #62 (406d7cc) into master (c200db4) will increase coverage by 0.18%.
Report is 1 commits behind head on master.
The diff coverage is 100.00%.

Additional details and impacted files

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@@            Coverage Diff             @@
##           master      #62      +/-   ##
==========================================
+ Coverage   95.95%   96.13%   +0.18%     
==========================================
  Files           8        8              
  Lines         642      672      +30     
==========================================
+ Hits          616      646      +30     
  Misses         26       26              
Files Coverage Δ
cmeutils/gsd_utils.py 86.76% <100.00%> (+0.71%) ⬆️
cmeutils/structure.py 100.00% <100.00%> (ø)

@chrisjonesBSU
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Working on a function for diffraction patterns as well before we merge.

@chrisjonesBSU chrisjonesBSU linked an issue Oct 13, 2023 that may be closed by this pull request
@chrisjonesBSU chrisjonesBSU merged commit 82bf4d5 into cmelab:master Oct 13, 2023
@chrisjonesBSU chrisjonesBSU deleted the add-diffraction branch October 13, 2023 21:12
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Add wrapper functions for freud's diffraction module
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