Update app.py

app.py

@@ -21,8 +21,8 @@ model = genai.GenerativeModel(
     generation_config=generation_config,
 )
 
-# Function to generate substeps recursively
-def generate_substeps(reactants, products):
+# Function to generate steps for A -> D flow
+def generate_reaction_steps(reactants, products):
     prompt = f"Given reactants: {reactants} and products: {products}, break down the reaction mechanism into simple steps and provide in JSON format."
     
     chat_session = model.start_chat(history=[])
@@ -34,21 +34,11 @@ def generate_substeps(reactants, products):
     except json.JSONDecodeError:
         steps = {"error": "Failed to decode JSON from Gemini response."}
     
-    # Recursively break down each step if possible
-    for step in steps:
-        step_reactants = steps[step][0]  # reactants in this step
-        step_products = steps[step][1]   # products in this step
-        reason = steps[step][2]          # reason in this step
-        
-        if reason != "found through experiment":
-            substeps = generate_substeps(step_reactants, step_products)
-            steps[step].append({"substeps": substeps})
-    
     return steps
 
 # Gradio interface
 def process_reaction(reactants, products):
-    steps = generate_substeps(reactants, products)
+    steps = generate_reaction_steps(reactants, products)
     return json.dumps(steps, indent=4)
 
 # Create the Gradio interface
@@ -57,7 +47,7 @@ iface = gr.Interface(
     inputs=[gr.Textbox(label="Reactants (comma-separated)"), gr.Textbox(label="Products (comma-separated)")],
     outputs="json",
     title="Chemistry Rationalizer",
-    description="Break down a reaction mechanism into recursive steps."
+    description="Break down a reaction mechanism into simple steps."
 )
 
 if __name__ == "__main__":