GunnerLab / MCCE_Benchmarking

For benchmarking MCCE experiments viz experimental pKas or viz other MCCE experiments (A/B testing)
MIT License
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Output tuple in "fit" key of pkas_stats dict even if failed fit. #53

Closed CatChenal closed 5 months ago

CatChenal commented 5 months ago

Currently, the "fit" key value is a string with the error message if the polyfit(1) fit did not converge or an numpy error occurred. When the dict is passed to plots.plot_pkas_fit, the function type-checks the value and aborts the plotting if its a str. Instead, make the assignment: m, b = stats_d["fit"] work in all cases. Then, go on with plotting if 'm' is not None.

Incidentally: Remove reference to remnant error message associated with the dict type checking line.