implement collision energy

Author: z3rone

native/ThermoNativeReader/NativeApi.cs

@@ -1204,6 +1204,25 @@ public static int GetScanEventActivationType(int handle, int scanNumber, int ind
             try { return (int)_rawFile.GetScanEventForScanNumber(scanNumber).GetActivation(index); } catch (Exception ex) { Console.Error.WriteLine("[native-fisher-py] Exception in GetScanEventActivationType (fallback -1): " + ex.Message); return -1; }
         }
 
+        
+        
+        [UnmanagedCallersOnly(EntryPoint = "get_scan_event_isolation_width")]
+        public static double GetScanEventIsolationWidth(int handle, int scanNumber, int index)
+        {
+            var _rawFile = GetFile(handle);
+            if (_rawFile == null) return -1;
+            try { return _rawFile.GetScanEventForScanNumber(scanNumber).GetIsolationWidth(index); } catch { return 0.0; }
+        }
+
+        [UnmanagedCallersOnly(EntryPoint = "get_scan_event_isolation_width_offset")]
+        public static double GetScanEventIsolationWidthOffset(int handle, int scanNumber, int index)
+        {
+            var _rawFile = GetFile(handle);
+            if (_rawFile == null) return -1;
+            try { return _rawFile.GetScanEventForScanNumber(scanNumber).GetIsolationWidthOffset(index); } catch { return 0.0; }
+        }
+
+        
         [UnmanagedCallersOnly(EntryPoint = "get_scan_event_collision_energy")]
         public static double GetScanEventCollisionEnergy(int handle, int scanNumber, int index)
         {

native_fisher_py/python/native_fisher_py/data/classes.py

@@ -1222,9 +1222,13 @@ def collision_energy_valid(self): raise NotImplementedError
     @property
     def first_precursor_mass(self): raise NotImplementedError
     @property
-    def isolation_width(self): raise NotImplementedError
+    def isolation_width(self):
+        from ..native_fisher_py_backend import get_scan_event_isolation_width
+        return get_scan_event_isolation_width(self._handle, self._scan_number, self._index)
     @property
-    def isolation_width_offset(self): raise NotImplementedError
+    def isolation_width_offset(self):
+        from ..native_fisher_py_backend import get_scan_event_isolation_width_offset
+        return get_scan_event_isolation_width_offset(self._handle, self._scan_number, self._index)
     @property
     def last_precursor_mass(self): raise NotImplementedError
     @property

native_fisher_py/src/lib.rs

@@ -1152,6 +1152,27 @@ fn get_scan_event_activation_type(handle: i32, scan_number: i32, index: i32) ->
     }
 }
 
+
+#[pyfunction]
+fn get_scan_event_isolation_width(handle: i32, scan_number: i32, index: i32) -> PyResult<f64> {
+    let lib = get_lib()?;
+    unsafe {
+        let func: Symbol<unsafe extern "C" fn(i32, i32, i32) -> f64> = lib.get(b"get_scan_event_isolation_width")
+            .map_err(|e| PyErr::new::<pyo3::exceptions::PyRuntimeError, _>(format!("get function get_scan_event_isolation_width: {}", e)))?;
+        Ok(func(handle, scan_number, index))
+    }
+}
+
+#[pyfunction]
+fn get_scan_event_isolation_width_offset(handle: i32, scan_number: i32, index: i32) -> PyResult<f64> {
+    let lib = get_lib()?;
+    unsafe {
+        let func: Symbol<unsafe extern "C" fn(i32, i32, i32) -> f64> = lib.get(b"get_scan_event_isolation_width_offset")
+            .map_err(|e| PyErr::new::<pyo3::exceptions::PyRuntimeError, _>(format!("get function get_scan_event_isolation_width_offset: {}", e)))?;
+        Ok(func(handle, scan_number, index))
+    }
+}
+
 #[pyfunction]
 fn get_scan_event_collision_energy(handle: i32, scan_number: i32, index: i32) -> PyResult<f64> {
     let lib = get_lib()?;
@@ -1760,6 +1781,8 @@ fn native_fisher_py_backend(m: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add_function(wrap_pyfunction!(get_scan_event_mass_count, m)?)?;
     m.add_function(wrap_pyfunction!(get_scan_event_precursor_mass, m)?)?;
     m.add_function(wrap_pyfunction!(get_scan_event_activation_type, m)?)?;
+    m.add_function(wrap_pyfunction!(get_scan_event_isolation_width, m)?)?;
+    m.add_function(wrap_pyfunction!(get_scan_event_isolation_width_offset, m)?)?;
     m.add_function(wrap_pyfunction!(get_scan_event_collision_energy, m)?)?;
     m.add_function(wrap_pyfunction!(get_scan_stats, m)?)?;
     m.add_function(wrap_pyfunction!(get_instrument_axis_label_x, m)?)?;