Update handling of incorrect units

Author: henrikjacobsenfys

src/easydynamics/sample_model/components/damped_harmonic_oscillator.py

@@ -101,10 +101,15 @@ def evaluate(self, x: Union[Numeric, sc.Variable]) -> Union[float, np.ndarray]:
         if isinstance(x, sc.Variable):
             x_in = x.values
             if self._unit is not None and x.unit != self._unit:
+                try:
+                    self.convert_unit(x.unit.name)
+                except Exception as e:
+                    raise ValueError(
+                        f"Input x has unit {x.unit}, but DHO component has unit {self._unit}. Failed to convert DHO to {x.unit}."
+                    ) from e
                 warnings.warn(
                     f"Input x has unit {x.unit}, but DHO component has unit {self._unit}. Converting DHO to {x.unit}."
                 )
-                self.convert_unit(x.unit.name)
         else:
             x_in = x
         return (

src/easydynamics/sample_model/components/gaussian.py

@@ -99,10 +99,16 @@ def evaluate(self, x: Union[Numeric, sc.Variable]) -> Union[float, np.ndarray]:
         if isinstance(x, sc.Variable):
             x_in = x.values
             if self._unit is not None and x.unit != self._unit:
+                try:
+                    self.convert_unit(x.unit.name)
+                except Exception as e:
+                    raise ValueError(
+                        f"Input x has unit {x.unit}, but Gaussian component has unit {self._unit}. Failed to convert Gaussian to {x.unit}."
+                    ) from e
+
                 warnings.warn(
                     f"Input x has unit {x.unit}, but Gaussian component has unit {self._unit}. Converting Gaussian to {x.unit}."
                 )
-                self.convert_unit(x.unit.name)
         else:
             x_in = x
         return (

src/easydynamics/sample_model/components/lorentzian.py

@@ -102,10 +102,15 @@ def evaluate(self, x: Union[Numeric, sc.Variable]) -> Union[float, np.ndarray]:
         if isinstance(x, sc.Variable):
             x_in = x.values
             if self._unit is not None and x.unit != self._unit:
+                try:
+                    self.convert_unit(x.unit.name)
+                except Exception as e:
+                    raise ValueError(
+                        f"Input x has unit {x.unit}, but Lorentzian component has unit {self._unit}. Failed to convert Lorentzian to {x.unit}."
+                    ) from e
                 warnings.warn(
                     f"Input x has unit {x.unit}, but Lorentzian component has unit {self._unit}. Converting Lorentzian to {x.unit}."
                 )
-                self.convert_unit(x.unit.name)
         else:
             x_in = x
         return self.area.value * (

src/easydynamics/sample_model/components/voigt.py

@@ -129,10 +129,15 @@ def evaluate(self, x: Union[Numeric, sc.Variable]) -> Union[float, np.ndarray]:
         if isinstance(x, sc.Variable):
             x_in = x.values
             if self._unit is not None and x.unit != self._unit:
+                try:
+                    self.convert_unit(x.unit.name)
+                except Exception as e:
+                    raise ValueError(
+                        f"Input x has unit {x.unit}, but Voigt component has unit {self._unit}. Failed to convert Voigt to {x.unit}."
+                    ) from e
                 warnings.warn(
                     f"Input x has unit {x.unit}, but Voigt component has unit {self._unit}. Converting Voigt to {x.unit}."
                 )
-                self.convert_unit(x.unit.name)
         else:
             x_in = x
         return self.area.value * voigt_profile(

tests/unit_tests/sample_model/components/test_gaussian.py

@@ -94,6 +94,14 @@ def test_evaluate_with_different_unit(self, gaussian: Gaussian):
         )
         np.testing.assert_allclose(expected, expected_result, rtol=1e-5)
 
+    def test_evaluate_with_incompatible_unit(self, gaussian: Gaussian):
+        x = sc.array(dims=["x"], values=[0.0, 500.0, 1000.0], unit="nm")
+        with pytest.raises(
+            ValueError,
+            match="Input x has unit nm, but Gaussian component has unit meV. Failed to convert Gaussian to nm.",
+        ):
+            gaussian.evaluate(x)
+
     def test_center_is_fixed_if_set_to_None(self):
         test_gaussian = Gaussian(
             name="TestGaussian", area=2.0, center=None, width=0.6, unit="meV"

tests/unit_tests/sample_model/components/test_lorentzian.py

@@ -96,6 +96,14 @@ def test_evaluate_with_different_unit(self, lorentzian: Lorentzian):
         )
         np.testing.assert_allclose(expected, expected_result, rtol=1e-5)
 
+    def test_evaluate_with_incompatible_unit(self, lorentzian: Lorentzian):
+        x = sc.array(dims=["x"], values=[0.0, 500.0, 1000.0], unit="nm")
+        with pytest.raises(
+            ValueError,
+            match="Input x has unit nm, but Lorentzian component has unit meV. Failed to convert Lorentzian to nm.",
+        ):
+            lorentzian.evaluate(x)
+
     def test_center_is_fixed_if_set_to_None(self):
         test_lorentzian = Lorentzian(
             name="TestLorentzian", area=2.0, center=None, width=0.6, unit="meV"

tests/unit_tests/sample_model/components/test_voigt.py

@@ -189,6 +189,14 @@ def test_evaluate_with_different_unit(self, voigt: Voigt):
         )
         np.testing.assert_allclose(expected, expected_result, rtol=1e-5)
 
+    def test_evaluate_with_incompatible_unit(self, voigt: Voigt):
+        x = sc.array(dims=["x"], values=[0.0, 500.0, 1000.0], unit="nm")
+        with pytest.raises(
+            ValueError,
+            match="Input x has unit nm, but Voigt component has unit meV. Failed to convert Voigt to nm.",
+        ):
+            voigt.evaluate(x)
+
     def test_center_is_fixed_if_set_to_None(self):
         test_voigt = Voigt(
             name="TestVoigt",