Update app.py

app.py

@@ -117,18 +117,19 @@ def retrosynthesis(reactant, prompt):
         reactants.append(smiles)
         reactant_images.append(Draw.MolToImage(mol, size=(600, 600)))
 
-    return reactants, reactant_images
+    return reactseq_list, reactants, reactant_images
 
 def secondary_interface(smiles, atom1_idx, atom2_idx, operation):
     try:
         prompt, error = process_bond_operation(smiles, atom1_idx, atom2_idx, operation)
         
         if prompt:
-            reactant_smiles, reactant_images = retrosynthesis(smiles, prompt)
+            reactseq_list, reactant_smiles, reactant_images = retrosynthesis(smiles, prompt)
             output_components = [gr.update(value=prompt, visible=True)]  # prompt_output
 
             # Add the reactant SMILES and images
             for i in range(len(reactant_smiles)):
+                output_components.append(gr.update(value=reactseq_list[i], visible=True))
                 output_components.append(gr.update(value=reactant_smiles[i], visible=True))
                 output_components.append(gr.update(value=reactant_images[i], visible=True))
 
@@ -136,15 +137,16 @@ def secondary_interface(smiles, atom1_idx, atom2_idx, operation):
             for j in range(len(reactant_smiles), 10):
                 output_components.append(gr.update(visible=False))
                 output_components.append(gr.update(visible=False))
+                output_components.append(gr.update(visible=False))
 
             output_components.append(gr.update(visible=False))  # error_output
             return output_components
         
         else:
-            return [gr.update(visible=False)] * 21 + [error]  # Assuming 10 pairs of outputs + prompt_output + error_output
+            return [gr.update(visible=False)] * 31 + [error]  # Assuming 10 pairs of outputs + prompt_output + error_output
     
     except Exception as e:
-        return [gr.update(visible=False)] * 21 + [gr.update(visible=True, value=str(e))]
+        return [gr.update(visible=False)] * 31 + [gr.update(visible=True, value=str(e))]
 
 def clear_interface():
     return (
@@ -155,7 +157,7 @@ def clear_interface():
         gr.update(visible=False, value=None),  # error_output
         gr.update(value=None, visible=False),  # prompt_output
     ) + (  # Reactant SMILES and Images
-        tuple(gr.update(value=None, visible=False) for _ in range(20))
+        tuple(gr.update(value=None, visible=False) for _ in range(30))
     )
 
 # 示例数据
@@ -190,6 +192,7 @@ with gr.Blocks() as interface:
     
     result_row = []
     for i in range(10):
+        result_row.append(gr.Textbox(label=f"Reactseq {i+1} ", interactive=False, visible=False))
         result_row.append(gr.Textbox(label=f"Reactant {i+1} SMILES", interactive=False, visible=False))
         result_row.append(gr.Image(label=f"Reactant {i+1} Image", visible=False))