Mercurial > repos > bimib > cobraxy
diff COBRAxy/metabolicModel2Tabular.py @ 508:ca98c149ec61 draft
Uploaded
author | francesco_lapi |
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date | Wed, 01 Oct 2025 14:21:26 +0000 |
parents | ffc234ec80db |
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--- a/COBRAxy/metabolicModel2Tabular.py Wed Oct 01 13:51:50 2025 +0000 +++ b/COBRAxy/metabolicModel2Tabular.py Wed Oct 01 14:21:26 2025 +0000 @@ -325,51 +325,17 @@ logger=logger ) - # generate data - rules = modelUtils.generate_rules(model, asParsed = False) - reactions = modelUtils.generate_reactions(model, asParsed = False) - bounds = modelUtils.generate_bounds(model) - medium = modelUtils.get_medium(model) - objective_function = modelUtils.extract_objective_coefficients(model) - - compartments = modelUtils.generate_compartments(model) - - df_rules = pd.DataFrame(list(rules.items()), columns = ["ReactionID", "GPR"]) - df_reactions = pd.DataFrame(list(reactions.items()), columns = ["ReactionID", "Formula"]) - - # Create DataFrame for translation issues - df_translation_issues = pd.DataFrame([ - {"ReactionID": rxn_id, "TranslationIssues": issues} - for rxn_id, issues in translation_issues.items() - ]) - - df_bounds = bounds.reset_index().rename(columns = {"index": "ReactionID"}) - df_medium = medium.rename(columns = {"reaction": "ReactionID"}) - df_medium["InMedium"] = True - - merged = df_reactions.merge(df_rules, on = "ReactionID", how = "outer") - merged = merged.merge(df_bounds, on = "ReactionID", how = "outer") - merged = merged.merge(objective_function, on = "ReactionID", how = "outer") - if compartments is not None: - merged = merged.merge(compartments, on = "ReactionID", how = "outer") - merged = merged.merge(df_medium, on = "ReactionID", how = "left") - - # Add translation issues column - if not df_translation_issues.empty: - merged = merged.merge(df_translation_issues, on = "ReactionID", how = "left") - merged["TranslationIssues"] = merged["TranslationIssues"].fillna("") - else: - # Add empty TranslationIssues column if no issues found - #merged["TranslationIssues"] = "" - pass - - merged["InMedium"] = merged["InMedium"].fillna(False) - - merged = merged.sort_values(by = "InMedium", ascending = False) - + # generate data using unified function if not ARGS.out_tabular: raise utils.ArgsErr("out_tabular", "output path (--out_tabular) is required when output_format == tabular", ARGS.out_tabular) - save_as_tabular_df(merged, ARGS.out_tabular) + + merged = modelUtils.export_model_to_tabular( + model=model, + output_path=ARGS.out_tabular, + translation_issues=translation_issues, + include_objective=True, + save_function=save_as_tabular_df + ) expected = ARGS.out_tabular # verify output exists and non-empty