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changed default trs for spin >=non-collinear to be false #927

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Merged
merged 2 commits into from
Jun 3, 2025
Merged

changed default trs for spin >=non-collinear to be false #927

merged 2 commits into from
Jun 3, 2025

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zerothi
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@zerothi zerothi commented Jun 3, 2025

This should make life simpler for end-users.

@zerothi
changed default trs for spin >=non-collinear to be false
e24ec02 
This should make life simpler for end-users.

Signed-off-by: Nick Papior <[email protected]>
github-advanced-security[bot]
github-advanced-security bot found potential problems Jun 3, 2025
View reviewed changes
src/sisl/physics/brillouinzone.py
trs = True
try:
trs = parent.spin <= Spin("polarized")
except AttributeError:

Check notice

Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.

Copilot Autofix

AI about 1 month ago

To fix the issue, we should handle the AttributeError in a meaningful way or, if it is safe to ignore, add a comment explaining why the exception is being ignored. In this case, we will assume that the exception is safe to ignore but will add a comment to clarify the intent. This ensures that future developers understand the reasoning behind the empty except block.

Suggested changeset 1
src/sisl/physics/brillouinzone.py

Autofix patch

Autofix patch
Run the following command in your local git repository to apply this patch
cat << 'EOF' | git apply
diff --git a/src/sisl/physics/brillouinzone.py b/src/sisl/physics/brillouinzone.py
--- a/src/sisl/physics/brillouinzone.py
+++ b/src/sisl/physics/brillouinzone.py
@@ -800,2 +800,3 @@
             except AttributeError:
+                # If the parent object does not have a 'spin' attribute, assume TRS is True.
                 pass
EOF
@@ -800,2 +800,3 @@
except AttributeError:
# If the parent object does not have a 'spin' attribute, assume TRS is True.
pass
Copilot is powered by AI and may make mistakes. Always verify output.
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codecov bot commented Jun 3, 2025 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 86.86%. Comparing base (cb429c1) to head (4b80e65).
Report is 1 commits behind head on main.

Additional details and impacted files 
@@           Coverage Diff           @@
##             main     #927   +/-   ##
=======================================
  Coverage   86.86%   86.86%           
=======================================
  Files         412      412           
  Lines       54286    54296   +10     
=======================================
+ Hits        47155    47165   +10     
  Misses       7131     7131

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@zerothi zerothi merged commit f942154 into main Jun 3, 2025
17 checks passed
@zerothi zerothi deleted the 926-trs-mp branch June 3, 2025 14:29
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Change default trs for Monkhorst pack
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