Merge pull request #1649 from Anselmoo/Anselmoo/issue1648

fix: ✏️ correct spelling of 'computional' to 'computational' in multiple files

spectrafit/api/report_model.py

@@ -107,9 +107,9 @@ class SolverAPI(BaseModel):
         default={},
         description="Error bar comment if values reach initial value or boundary",
     )
-    computional: Dict[str, Any] = Field(
+    computational: Dict[str, Any] = Field(
         ...,
-        description="Computional information like number of function evaluations",
+        description="Computational information like number of function evaluations",
     )
 
 

spectrafit/plugins/notebook.py

@@ -652,13 +652,13 @@ def get_linear_correlation(self) -> Dict[str, Any]:
         return self.args_out["linear_correlation"]
 
     @property
-    def get_computional(self) -> Dict[str, Any]:
+    def get_computational(self) -> Dict[str, Any]:
         """Get the computational time.
 
         Returns:
             Dict[str, Any]: Computational time as dictionary.
         """
-        return self.args_out["fit_insights"]["computional"]
+        return self.args_out["fit_insights"]["computational"]
 
     @property
     def settings_conf_interval(self) -> Union[bool, Dict[str, Any]]:
@@ -793,7 +793,7 @@ def make_solver_contribution(self) -> SolverAPI:
             covariance_matrix=self.get_covariance_matrix,
             variables=self.get_variables,
             errorbars=self.get_errorbars,
-            computional=self.get_computional,
+            computational=self.get_computational,
         )
 
     @property

spectrafit/plugins/test/test_notebook.py

@@ -111,7 +111,7 @@ def args_out_fixture() -> Dict[str, Any]:
                 "error_a": {"value": 1, "std": 2},
                 "error_b": {"value": 3, "std": 4},
             },
-            "computional": {"optmizer": "leastsq", "nfev": 1000},
+            "computational": {"optmizer": "leastsq", "nfev": 1000},
         },
         "descriptive_statistic": pd.DataFrame({"mean": [1, 2], "std": [1, 2]}).to_dict(
             orient="list"

spectrafit/report.py

@@ -210,13 +210,13 @@ def fit_report_as_dict(
         "errorbars": {},
         "correlations": {},
         "covariance_matrix": {},
-        "computional": {},
+        "computational": {},
     }
 
     result, buffer, params = _extracted_gof_from_results(
         result=result, buffer=buffer, params=params
     )
-    buffer = _extracted_computional_from_results(
+    buffer = _extracted_computational_from_results(
         result=result, settings=settings, buffer=buffer
     )
     for name in parnames:
@@ -281,10 +281,10 @@ def get_init_value(
     return f"As fixed value: {param.value}"
 
 
-def _extracted_computional_from_results(
+def _extracted_computational_from_results(
     result: minimize, settings: Minimizer, buffer: Dict[str, Any]
 ) -> Dict[str, Any]:
-    """Extract the computional from the results.
+    """Extract the computational from the results.
 
     Args:
         result (minimize): Input Parameters from a fit or the  Minimizer results
@@ -297,15 +297,15 @@ def _extracted_computional_from_results(
     Returns:
         Dict[str, Any]: The buffer with updated results.
     """
-    buffer["computional"]["success"] = result.success
+    buffer["computational"]["success"] = result.success
     if hasattr(result, "message"):
-        buffer["computional"]["message"] = result.message
-    buffer["computional"]["errorbars"] = result.errorbars
-    buffer["computional"]["nfev"] = result.nfev
+        buffer["computational"]["message"] = result.message
+    buffer["computational"]["errorbars"] = result.errorbars
+    buffer["computational"]["nfev"] = result.nfev
 
-    buffer["computional"]["max_nfev"] = settings.max_nfev
-    buffer["computional"]["scale_covar"] = settings.scale_covar
-    buffer["computional"]["calc_covar"] = settings.calc_covar
+    buffer["computational"]["max_nfev"] = settings.max_nfev
+    buffer["computational"]["scale_covar"] = settings.scale_covar
+    buffer["computational"]["calc_covar"] = settings.calc_covar
 
     return buffer