Refactor multistep search #402
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mschwoer
commented
Dec 13, 2024
alphadia/outputtransform.py
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| optimization_stats[MS1_ERROR] = optimization_manager.ms1_error | ||
| optimization_stats["rt_error"] = optimization_manager.rt_error | ||
| optimization_stats["mobility_error"] = optimization_manager.mobility_error | ||
| optimization_stats[OutputKeys.MS2_ERROR] = optimization_manager.ms2_error |
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@GeorgWa I'd suggest using this idiom for all string constants short- to mid-term
GeorgWa
approved these changes
Dec 13, 2024
| @@ -494,12 +494,16 @@ def __init__( | |||
| "fwhm_mobility": config["optimization_manager"]["fwhm_mobility"], | |||
| "score_cutoff": config["optimization_manager"]["score_cutoff"], | |||
| } | |||
| self.__dict__.update(initial_parameters) | |||
| self.__dict__.update( | |||
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instead of using the magic method? ok
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any preferences? store this as a dict or individual instance variables?
| def fit(self, update_dict): | ||
| def fit( | ||
| self, update_dict | ||
| ): # TODO siblings' implementations have different signatures |
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yes.. this is unfortunately necessary :/ Should we name the functions differently in this case?
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this would be a solution, yes .. otherwise using inheritance does not make too much sense (but maybe it does not in the first place?)
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