Add method to add model to standard object

calipytion/tools/calibrator.py

@@ -352,6 +352,30 @@ def from_excel(
 
         return cls(**args)
 
+    def add_model_to_standard(self, model: CalibrationModel | str) -> None:
+        """Adds a model to the result object of the standard.
+
+        Args:
+            model (CalibrationModel | str): The model object or name which should be added to the standard.
+
+        Raises:
+            ValueError: If the model has not been fitted yet.
+            ValueError: If no standard object is found.
+        """
+
+        if isinstance(model, str):
+            model = self.get_model(model)
+
+        if not model.was_fitted:
+            raise ValueError("Model has not been fitted yet. Run 'fit_models' first.")
+
+        if self.standard is None:
+            raise ValueError(
+                "No standard object found. Create a standard first by calling 'create_standard'."
+            )
+
+        self.standard.result = model
+
     @classmethod
     def from_json(
         cls,

calipytion/tools/equations.py

@@ -1,7 +1,7 @@
 from calipytion.model import CalibrationModel
 
-lower_bound = -1e6
-upper_bound = 1e6
+lower_bound = -1e4
+upper_bound = 1e4
 
 
 linear_model = CalibrationModel(

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "calipytion"
-version = "0.9.0"
+version = "0.9.1"
 description = "Tool for creating standard curves and concentration calculations."
 authors = ["haeussma <[email protected]>"]
 license = "MIT License"

tests/test_map_enzymeme.py

@@ -1,5 +1,4 @@
 import json
-import math
 
 import pyenzyme as pe
 from pyenzyme.units import mM, second
@@ -58,7 +57,6 @@ def test_conversion_of_enzymeml_doc():
         20,
         10,
     ]
-    assert math.isnan(doc.measurements[1].species_data[0].data[0])
 
 
 def test_conversion_of_enzymeml_doc_extrapolate():