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Write standard error back to enzymeml doc after fitting
1 parent 71a7a86 commit d64745d

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Lines changed: 5 additions & 3 deletions

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pyenzyme/thinlayers/psyces.py

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -264,16 +264,18 @@ def write(self) -> v2.EnzymeMLDocument:
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>>> pe.write_enzymeml(optimized_doc, "optimized_model.json")
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"""
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nu_enzmldoc = self.enzmldoc.model_copy(deep=True)
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results = self.minimizer.result.params.valuesdict() # type: ignore
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results = self.minimizer.result.params # type: ignore
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for name, value in results.items():
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for name in results:
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query = nu_enzmldoc.filter_parameters(symbol=name)
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if len(query) == 0:
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raise ValueError(f"Parameter {name} not found")
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parameter = query[0]
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parameter.value = value
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parameter.value = results[name].value
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if results[name].stderr is not None:
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parameter.stderr = results[name].stderr
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return nu_enzmldoc
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