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Read CatRange predictions returned as class ranges - #62

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edkerk merged 1 commit into
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fix/okp-catrange-ranges
Oct 17, 2026
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edkerk merged 1 commit into
developfrom
fix/okp-catrange-ranges

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@edkerk edkerk commented Oct 15, 2026 •

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CatRange predicts a class of kcat values. OpenKineticsPredictor returns it as the class range (10 to 100 s^-1) in the column Predicted kcat range: kcat (1/s). parse_okp_output required a column named exactly kcat (1/s) and so rejected CatRange results.

It now takes the one column ending in kcat (1/s) and reads a range as its geometric midpoint, or half the upper bound for the class starting at 0 (0 to 1e-08 s^-1 gives 5e-9). Plain numbers are read as before. The okp.method description lists all available predictors, CatRange included.

New tests cover a CatRange result and the value parsing. The full suite passes (1,454 passed; develop has 1,447).

The same fix for GECKO: SysBioChalmers/GECKO#487

CatRange predicts a class of kcat values, which OpenKineticsPredictor
returns as its range ("10 to 100 s^-1") in the column "Predicted kcat
range: kcat (1/s)". parse_okp_output required a column named exactly
"kcat (1/s)" and so rejected CatRange results. It now takes the one
column ending in "kcat (1/s)" and reads a range as its geometric
midpoint, or half the upper bound for the class starting at 0. The list
of available predictors is updated.
@edkerk
edkerk merged commit fbaceba into develop Oct 17, 2026
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@edkerk
edkerk deleted the fix/okp-catrange-ranges branch October 17, 2026 06:27
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