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See change in-line. When converting from RDF to PDF, a division by r is done. Since we know the point at which r=0 corresponds to g(r=0)=0, we set g(r=0)=0 to avoid a divide-by-zero. The setting for the morph g(r) incorrectly uses the target r-grid to do this setting to zero.

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codecov bot commented Jul 9, 2025

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 99.08%. Comparing base (f8ee98a) to head (7758973).
Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #234   +/-   ##
=======================================
  Coverage   99.08%   99.08%           
=======================================
  Files          21       21           
  Lines        1087     1087           
=======================================
  Hits         1077     1077           
  Misses         10       10           
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Request for a test that would have caught this error added to #233.

@sbillinge sbillinge merged commit 742643c into diffpy:main Jul 10, 2025
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@Sparks29032 Sparks29032 deleted the smear-pdf-bug branch July 10, 2025 02:33
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2 participants