fix unit test

alphadia/workflow/peptidecentric.py

@@ -758,7 +758,7 @@ def save_managers(self):
         The FDR manager is not saved because it is not used in subsequent parts of the workflow.
         """
         self.calibration_manager.save()
-        self.optimization_manager.save()
+        self.optimization_manager.save()  # this replaces the .save() call when the optimization manager is fitted, since there seems little point in saving an intermediate optimization manager.
 
     def extraction(self):
         self.timing_manager.set_start_time("extraction")

tests/unit_tests/test_workflow.py

@@ -271,6 +271,7 @@ def test_optimization_manager_fit():
     assert optimization_manager.fwhm_cycles == 10
     assert optimization_manager.fwhm_mobility == 0.02
 
+    optimization_manager.save()
     os.remove(temp_path)