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Fix #4731 #4837

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merged 4 commits into from
Dec 16, 2024
Merged

Fix #4731 #4837

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55c6755
Update distances.py
tanishy7777 Dec 15, 2024
97625f3
Update CHANGELOG
tanishy7777 Dec 15, 2024
d85b4a6
Update distances.py
tanishy7777 Dec 15, 2024
349d6b5
Update CHANGELOG
tanishy7777 Dec 16, 2024
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1 change: 1 addition & 0 deletions package/CHANGELOG
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Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,7 @@ Fixes
* Fixes deprecation warning Array to scalar convertion. Replaced atan2() with np.arctan2() (Issue #4339)
* Replaced mutable defaults with None and initialized them within
the function to prevent shared state. (Issue #4655)
* Updated the docs for the self_distance_array function in package/MDAnalysis/lib/distances.py (Issue #4731)
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Enhancements
* Enable parallelization for analysis.nucleicacids.NucPairDist (Issue #4670)
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5 changes: 2 additions & 3 deletions package/MDAnalysis/lib/distances.py
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Expand Up @@ -401,10 +401,9 @@ def self_distance_array(

for i in range(n):
for j in range(i + 1, n):
dist[i, j] = dist[j, i] = d[k]
k += 1
dist[i, j] = d[k]



.. versionchanged:: 0.13.0
Added *backend* keyword.
.. versionchanged:: 0.19.0
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