Mercurial > repos > bimib > cobraxy

comparison COBRAxy/ras_to_bounds.py @ 507:20e135a73cad draft

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author francesco_lapi
date Wed, 01 Oct 2025 13:51:50 +0000
parents ffc234ec80db
children ca98c149ec61
comparison
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506:ffc234ec80db 507:20e135a73cad
178 bounds = modelUtils.generate_bounds(model) 178 bounds = modelUtils.generate_bounds(model)
179 medium = modelUtils.get_medium(model) 179 medium = modelUtils.get_medium(model)
180 180
181 compartments = modelUtils.generate_compartments(model) 181 compartments = modelUtils.generate_compartments(model)
182 182
183 df_rules = pd.DataFrame(list(rules.items()), columns = ["ReactionID", "Rule"]) 183 df_rules = pd.DataFrame(list(rules.items()), columns = ["ReactionID", "GPR"])
184 df_reactions = pd.DataFrame(list(reactions.items()), columns = ["ReactionID", "Reaction"]) 184 df_reactions = pd.DataFrame(list(reactions.items()), columns = ["ReactionID", "Formula"])
185 df_bounds = bounds.reset_index().rename(columns = {"index": "ReactionID"}) 185 df_bounds = bounds.reset_index().rename(columns = {"index": "ReactionID"})
186 df_medium = medium.rename(columns = {"reaction": "ReactionID"}) 186 df_medium = medium.rename(columns = {"reaction": "ReactionID"})
187 df_medium["InMedium"] = True 187 df_medium["InMedium"] = True
188 188
189 merged = df_reactions.merge(df_rules, on = "ReactionID", how = "outer") 189 merged = df_reactions.merge(df_rules, on = "ReactionID", how = "outer")