filter check_mass_balance zeros with a floating point comparison #1436
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cdiener
reviewed
Apr 15, 2025
| @@ -1451,7 +1451,7 @@ def check_mass_balance(self) -> Dict[str, float]: | |||
| for element, amount in metabolite.elements.items(): | |||
| reaction_element_dict[element] += coefficient * amount | |||
| # filter out 0 values | |||
| return {k: v for k, v in reaction_element_dict.items() if v != 0} | |||
| return {k: v for k, v in reaction_element_dict.items() if not isclose(v, 0.0, abs_tol=1e-12)} | |||
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This is great. Maybe the tolerance could be taken from Configuration().tolerance instead like the other tolerances?
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check_mass_balancefails for floating point coefficients #1435Fixes #1435 by filtering out zeros in the reaction element dictionary using
math.isclose.