bug fixing

app.py

@@ -1062,13 +1062,25 @@ def process_input(smiles_input=None, file_obj=None, show_linear=False,
                     # Generate ETKDG structure
                     mol_etkdg = generator.generate_structure_etkdg(smiles)
                     etkdg_bytes = generator.mol_to_sdf_bytes(mol_etkdg)
-                    structure_files.append(("structure_etkdg.sdf", etkdg_bytes))
+                    
+                    # Create temporary file path for ETKDG structure
+                    etkdg_file = {
+                        "name": "structure_etkdg.sdf",
+                        "data": etkdg_bytes
+                    }
+                    structure_files.append(etkdg_file)
                     
                     # Generate UFF structure if requested
                     if use_uff:
                         mol_uff = generator.generate_structure_uff(smiles)
                         uff_bytes = generator.mol_to_sdf_bytes(mol_uff)
-                        structure_files.append(("structure_uff.sdf", uff_bytes))
+                        
+                        # Create temporary file path for UFF structure
+                        uff_file = {
+                            "name": "structure_uff.sdf",
+                            "data": uff_bytes
+                        }
+                        structure_files.append(uff_file)
                 
                 except Exception as e:
                     return f"Error generating 3D structures: {str(e)}", None, None, []
@@ -1141,6 +1153,11 @@ def process_input(smiles_input=None, file_obj=None, show_linear=False,
                 #summary += f"Peptide Cycles: {', '.join(peptide_cycles)}\n"
                 #summary += f"Aromatic Cycles: {', '.join(aromatic_cycles)}\n"
             
+            if structure_files:
+                summary += "\n3D Structures Generated:\n"
+                for file_info in structure_files:
+                    summary += f"- {file_info['name']}\n"
+            
             return summary + output_text, img_cyclic, img_linear, structure_files
             
         except Exception as e: