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@psavery psavery commented Sep 8, 2025

Identical functions are to be used in the base class.

This eliminates a significant amount of code (at least 1000 lines).

This also fixes the degree of crystallinity calculation of Rietveld to match that of LeBail (which was fixed recently).

Identical functions are to be used in the base class.

This eliminates a significant amount of code (at least 1000 lines).

This also fixes the degree of crystallinity calculation of Rietveld to
match that of LeBail (which was fixed recently).

Signed-off-by: Patrick Avery <[email protected]>
@psavery psavery requested a review from saransh13 September 8, 2025 18:46
This can be used by Rietveld also

Signed-off-by: Patrick Avery <[email protected]>
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codecov bot commented Sep 8, 2025

Codecov Report

❌ Patch coverage is 52.43243% with 88 lines in your changes missing coverage. Please review.
✅ Project coverage is 48.87%. Comparing base (17ae4af) to head (4df50af).
⚠️ Report is 6 commits behind head on master.

Files with missing lines Patch % Lines
hexrd/wppf/phase.py 52.43% 88 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #838      +/-   ##
==========================================
- Coverage   49.27%   48.87%   -0.40%     
==========================================
  Files         143      143              
  Lines       23120    22182     -938     
==========================================
- Hits        11392    10842     -550     
+ Misses      11728    11340     -388     

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This eliminates a lot of duplicate code.

Signed-off-by: Patrick Avery <[email protected]>
Signed-off-by: Patrick Avery <[email protected]>
The Rietveld material inherits from the LeBail material, since it
needs all of the same calculations as LeBail, plus a little more.

Signed-off-by: Patrick Avery <[email protected]>
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I have looked at the code and also tested it for many different configurations. Everything seems to be working as expected, so approving the changes.

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psavery commented Sep 11, 2025

1630 fewer lines of code now!

@psavery psavery merged commit a6e39de into master Sep 11, 2025
6 of 7 checks passed
@psavery psavery deleted the wppf-refactor branch September 11, 2025 19:33
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3 participants