implement isolation

Author: z3rone

native_fisher_py/python/native_fisher_py/data/classes.py

@@ -2173,12 +2173,14 @@ def get_last_precursor_mass(self, index):
     def get_isolation_width(self, index):
         if _IS_SPHINX:
             return 0.0
-        raise NotImplementedError("get_isolation_width")
+        from ..native_fisher_py_backend import get_scan_event_isolation_width
+        return get_scan_event_isolation_width(self._handle, self._scan_number, index)
 
     def get_isolation_width_offset(self, index):
         if _IS_SPHINX:
             return 0.0
-        raise NotImplementedError("get_isolation_width_offset")
+        from ..native_fisher_py_backend import get_scan_event_isolation_width_offset
+        return get_scan_event_isolation_width_offset(self._handle, self._scan_number, index)
 
     def get_is_multiple_activation(self, index):
         if _IS_SPHINX:

tests/test_collision_energy.py

@@ -40,3 +40,26 @@ def test_reaction_collision_energy(raw_file):
     scan_event = raw_file.get_scan_event_for_scan_number(scan_num)
     reaction = scan_event.get_reaction(0)
     assert reaction.collision_energy == pytest.approx(28.0)
+
+
+def test_isolation_width(raw_file):
+    # Test values obtained from a reference run
+    width_expectations = {
+        2: 1.6,
+        3: 1.6,
+        4: 1.6,
+        6: 1.6,
+        8: 1.6
+    }
+
+    for scan_num, expected_width in width_expectations.items():
+        scan_event = raw_file.get_scan_event_for_scan_number(scan_num)
+        
+        # Test ScanEvent.get_isolation_width
+        actual_width = scan_event.get_isolation_width(0)
+        assert actual_width == pytest.approx(expected_width), f"Scan {scan_num} ScanEvent isolation width mismatch"
+        
+        # Test Reaction.isolation_width
+        reaction = scan_event.get_reaction(0)
+        assert reaction.isolation_width == pytest.approx(expected_width), f"Scan {scan_num} Reaction isolation width mismatch"
+        assert reaction.isolation_width_offset == pytest.approx(0.0), f"Scan {scan_num} Reaction isolation width offset mismatch"