Add temperature control to target definition

src/spyral_utils/nuclear/target.py

@@ -55,6 +55,7 @@ class TargetData:
     compound: list[tuple[int, int, int]] = field(default_factory=list)  # (Z, A, S)
     pressure: float | None = None  # torr
     thickness: float | None = None  # ug/cm^2
+    temperature: float | None = None  # K
 
     def density(self) -> float:
         """Get the gas density in g/cm^3
@@ -70,7 +71,10 @@ def density(self) -> float:
             molar_mass: float = 0.0
             for z, a, s in self.compound:
                 molar_mass += a * s
-            return molar_mass * self.pressure / (GAS_CONSTANT * ROOM_TEMPERATURE)
+            T = self.temperature
+            if T is None:
+                T = ROOM_TEMPERATURE
+            return molar_mass * self.pressure / (GAS_CONSTANT * T)
 
 
 def deserialize_target_data(target_path: Path) -> TargetData | None:
@@ -95,11 +99,19 @@ def deserialize_target_data(target_path: Path) -> TargetData | None:
         ):
             return None
         else:
-            return TargetData(
-                json_data["compound"],
-                json_data["pressure(Torr)"],
-                json_data["thickness(ug/cm^2)"],
-            )
+            if "temperature(K)" not in json_data:
+                return TargetData(
+                    json_data["compound"],
+                    json_data["pressure(Torr)"],
+                    json_data["thickness(ug/cm^2)"],
+                )
+            else:
+                return TargetData(
+                    json_data["compound"],
+                    json_data["pressure(Torr)"],
+                    json_data["thickness(ug/cm^2)"],
+                    json_data["temperature(K)"],
+                )
 
 
 def serialize_target_data(target_path: Path, data: TargetData):

tests/gas_target_temp.json

@@ -0,0 +1,12 @@
+{
+    "compound": [
+        [
+            1,
+            1,
+            2
+        ]
+    ],
+    "pressure(Torr)": 300.0,
+    "temperature(K)": 300.0,
+    "thickness(ug/cm^2)": null
+}

tests/test_target.py

@@ -4,6 +4,7 @@
 
 GAS_TARGET_PATH: Path = Path(__file__).parent.resolve() / "gas_target.json"
 SOLID_TARGET_PATH: Path = Path(__file__).parent.resolve() / "solid_target.json"
+GAS_TARGET_TEMP_PATH: Path = Path(__file__).parent.resolve() / "gas_target_temp.json"
 PROJ_Z: int = 1
 PROJ_A: int = 1
 PROJ_KE: float = 5.0  # MeV
@@ -76,3 +77,14 @@ def test_solid_target_range():
     print(target.material.density())
 
     assert abs(range - LISE_VALUE) < PRECISION * LISE_VALUE
+
+
+def test_gas_target_with_temp():
+    nuc_map = NuclearDataMap()
+    target_temp = load_target(GAS_TARGET_TEMP_PATH, nuc_map)
+    target_no_temp = load_target(GAS_TARGET_PATH, nuc_map)
+
+    assert isinstance(target_temp, GasTarget)
+    assert isinstance(target_no_temp, GasTarget)
+    assert target_temp.data.temperature is not None
+    assert target_temp.density != target_no_temp.density