Fix rotation matrix is None

[jan-janssen]

Summary by CodeRabbit

• Bug Fixes
  • Improved handling of pressure tensor transformation by adding validation to prevent errors when rotation matrix is unavailable. The system now gracefully processes this scenario.

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[coderabbitai]

📝 Walkthrough

Walkthrough

A guard condition is added to the _pressure_to_lammps function to check that rotation_matrix is not None before using it. This defensive check prevents potential errors when the parameter is missing while preserving existing logic.

Changes

Cohort / File(s)	Summary
Rotation Matrix Guard src/pyiron_lammps/compatibility/calculate.py	Added None check for rotation_matrix parameter in _pressure_to_lammps function to prevent evaluating rotation-based pressure tensor transformation when the matrix is absent

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~3 minutes

Poem

A rabbit hops through code so bright,
Adding guards to keep things right—
No more None shall cause a fright,
When rotation's missing from sight! 🐰✨

🚥 Pre-merge checks | ✅ 3

✅ Passed checks (3 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The title directly addresses the main change: adding a guard to handle when rotation_matrix is None in the _pressure_to_lammps function.
Docstring Coverage	✅ Passed	Docstring coverage is 100.00% which is sufficient. The required threshold is 80.00%.

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✨ Finishing touches

• 📝 Generate docstrings

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[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 82.33%. Comparing base (de41322) to head (43263f7).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #300   +/-   ##
=======================================
  Coverage   82.33%   82.33%           
=======================================
  Files          11       11           
  Lines        1155     1155           
=======================================
  Hits          951      951           
  Misses        204      204           

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