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Merged
sbillinge merged 17 commits into from
Aug 1, 2025
Merged

Morphfuncxy #239

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87ac6ac
Add morphfuncxy (scrappy)
Sparks29032 Jul 9, 2025
c91ebc2
Modifications
Sparks29032 Jul 9, 2025
a3c9d00
Add morph funcx (scrappy)
Sparks29032 Jul 11, 2025
f32774c
Add funcxy, funcx
Sparks29032 Jul 11, 2025
ca0baff
Fix docstrings for morphfuncx,y
Sparks29032 Jul 12, 2025
e743fb5
Update funcx
Sparks29032 Jul 12, 2025
8a41d28
funcx docstring
Sparks29032 Jul 12, 2025
1dd4d6d
News
Sparks29032 Jul 12, 2025
00419b4
Fix changing r-grid issue in refine
Sparks29032 Jul 13, 2025
1766f00
Add padding as well
Sparks29032 Jul 13, 2025
f231a7c
Move epsilon
Sparks29032 Jul 13, 2025
873a4f0
Morph rgrid change
Sparks29032 Jul 13, 2025
540d6e2
Merge
Sparks29032 Jul 15, 2025
1f6ac74
RMS averaging
Sparks29032 Jul 15, 2025
7b52db7
Final testing suite
Sparks29032 Jul 29, 2025
026a443
Finish documentation
Sparks29032 Jul 31, 2025
783f6f7
Doc formatting check
Sparks29032 Jul 31, 2025
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Add padding as well
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@Sparks29032
Sparks29032 committed Jul 31, 2025
commit 1766f00afa95dc35ec3af838f490d26ff4c60239
9 changes: 7 additions & 2 deletions src/diffpy/morph/refine.py
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Original file line number Diff line number Diff line change
Expand Up @@ -91,12 +91,17 @@ def _residual(self, pvals):
else:
# Padding
if len(rvec) < self.res_length:
diff_length = self.res_length - len(rvec)
rvec = list(rvec)
rvec.extend([0] * (self.res_length - len(rvec)))
rvec.extend([0] * diff_length)
rvec = array(rvec)
# Removal
elif len(rvec) > self.res_length:
pass
diff_length = len(rvec) - self.res_length
rvec = list(rvec)
for _ in range(diff_length):
rvec.pop(max(rvec))
rvec = array(rvec)

return rvec

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