comparison COBRAxy/utils/model_utils.py @ 427:4a385fdb9e58 draft

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426:00a78da611ba

    reactions_skipped = 0
    
    for idx, row in df.iterrows():

        reaction_id = str(row['ReactionID']).strip()
        reaction_formula = str(row['Reaction']).strip()
        
        # Salta reazioni senza formula
        if not reaction_formula or reaction_formula == 'nan':
            raise ValueError(f"Formula della reazione mancante {reaction_id}")
        

        # Imposta bounds
        reaction.lower_bound = float(row['lower_bound']) if pd.notna(row['lower_bound']) else -1000.0
        reaction.upper_bound = float(row['upper_bound']) if pd.notna(row['upper_bound']) else 1000.0
        
        # Aggiungi gene rule se presente
        if pd.notna(row['Rule']) and str(row['Rule']).strip():
            reaction.gene_reaction_rule = str(row['Rule']).strip()
        
        # Parse della formula della reazione
        try:
            parse_reaction_formula(reaction, reaction_formula, metabolites_dict)
        except Exception as e:

427:4a385fdb9e58

    reactions_skipped = 0
    
    for idx, row in df.iterrows():

        reaction_id = str(row['ReactionID']).strip()
        reaction_formula = str(row['Formula']).strip()
        
        # Salta reazioni senza formula
        if not reaction_formula or reaction_formula == 'nan':
            raise ValueError(f"Formula della reazione mancante {reaction_id}")
        

        # Imposta bounds
        reaction.lower_bound = float(row['lower_bound']) if pd.notna(row['lower_bound']) else -1000.0
        reaction.upper_bound = float(row['upper_bound']) if pd.notna(row['upper_bound']) else 1000.0
        
        # Aggiungi gene rule se presente
        if pd.notna(row['GPR']) and str(row['GPR']).strip():
            reaction.gene_reaction_rule = str(row['GPR']).strip()
        
        # Parse della formula della reazione
        try:
            parse_reaction_formula(reaction, reaction_formula, metabolites_dict)
        except Exception as e: