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Keep Rietveld phase fractions physical - #983
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lmfit clamps the remainder phase fraction to its bounds, which let fits run over budget and shrink "fixed" fractions. Add hexrd.core.fitting.stick_breaking, which keeps any group of fractions non-negative and summing to one, and use it in Rietveld.Refine. Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## master #983 +/- ##
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+ Coverage 74.72% 74.80% +0.07%
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Files 148 149 +1
Lines 22882 22942 +60
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+ Hits 17098 17161 +63
+ Misses 5784 5781 -3 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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saransh13
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All edge case issue don't show up anymore! LGTM
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Overview
lmfit clamps the remainder phase fraction to its bounds, which let fits run over budget and shrink "fixed" fractions. Add
hexrd.core.fitting.stick_breaking, which keeps any group of fractions non-negative and summing to one, and use it inRietveld.Refine.Affected Workflows
Powder - WPPF only
Documentation Changes
[Enumerate the places where documentation needs to change. If the documentation lives in this repo, it should be changed in this PR.]