prep_outcome_freq should set max_mols to some value such that all bins are guaranteed to have max_mols molecules (say 50K from Michael's scripts). logger.warning should be issued if any bin cannot supply these many molecules (otherwise downstream analysis will be imbalanced).
calculate_outcomes can take all of the rows, and support for max_mols removed from this step.
prep_outcome_freqshould setmax_molsto some value such that all bins are guaranteed to havemax_molsmolecules (say 50K from Michael's scripts).logger.warningshould be issued if any bin cannot supply these many molecules (otherwise downstream analysis will be imbalanced).calculate_outcomescan take all of the rows, and support formax_molsremoved from this step.