diff --git a/rptools/rpcompletion/rpCompletion.py b/rptools/rpcompletion/rpCompletion.py index 993364a..9533259 100644 --- a/rptools/rpcompletion/rpCompletion.py +++ b/rptools/rpcompletion/rpCompletion.py @@ -150,35 +150,13 @@ def rp_completion( rr_reactions=cache.get('rr_reactions'), compounds_cache=cache.get('cid_strc'), max_subpaths_filter=max_subpaths_filter, - # compartment_id=compartment_id, lower_flux_bound=lower_flux_bound, upper_flux_bound=upper_flux_bound, logger=logger ) - # # Return flat list of overall topX pathways - # return sum( - # [ - # pathways - # for pathways in all_pathways.values() - # ], [])[:max_subpaths_filter] - return all_pathways - # for sub_pathways in all_pathways.values(): - # for sub_pathway in sub_pathways: - # print(sub_pathway) - - # from chemlite import Pathway - # print(all_pathways) - # for sub_pathways in all_pathways.values(): - # for i in range(len(sub_pathways)): - # for j in range(i+1, len(sub_pathways)): - # if sub_pathways[i] == sub_pathways[j]: - # print(f'Equality between {sub_pathways[i].get_id()} and {sub_pathways[j].get_id()}') - # print() - # print(Pathway._to_dict(all_pathways[1][0])) - def __complete_transformations( transfos: Dict, @@ -207,6 +185,9 @@ def __complete_transformations( Completed stoichiometric chemical transformations """ + logger.debug(f'transfos: {transfos}') + logger.debug(f'ec_numbers: {ec_numbers}') + full_transfos = {} # For each transformation @@ -770,7 +751,7 @@ def __build_all_pathways( target_id = target_id[0] else: target_id = None - logger.debug(rxn._to_dict()) + logger.debug(f'rxn: {rxn._to_dict()}') pathway.add_reaction( rxn=rxn, target_id=target_id