Update PolyAgent/gradio_interface.py

PolyAgent/gradio_interface.py

@@ -27,6 +27,18 @@ except Exception as e:
     )
 
 
+# -----------------------------------------------------------------------------
+# Default cases
+# -----------------------------------------------------------------------------
+DEFAULT_CONSOLE_CASE_PREDICT_TG = (
+    "Predict the glass transition temperature (Tg) for the following PSMILES.\n"
+    "seed_psmiles: [*]CC(=O)OCCOCCOC(=O)C[*]\n"
+)
+
+DEFAULT_CONSOLE_CASE_GENERATE_TG = (
+    "Generate four candidate polymers targeting Tg 60 (°C) while keeping melt-processability practical.\n"
+    "seed_psmiles: [*]CC(=O)OCCOCCOC(=O)C[*]\n"
+)
 # =============================================================================
 # DOI NORMALIZATION HELPERS
 # =============================================================================
@@ -46,6 +58,13 @@ def normalize_doi(raw: str) -> Optional[str]:
 def doi_to_url(doi: str) -> str:
     return f"https://doi.org/{doi}"
 
+def _get_console_preset_text(preset_name: str) -> str:
+    if preset_name == "Predict Tg (given pSMILES)":
+        return DEFAULT_CONSOLE_CASE_PREDICT_TG
+    if preset_name == "Inverse design (target Tg)":
+        return DEFAULT_CONSOLE_CASE_GENERATE_TG
+    return DEFAULT_CONSOLE_CASE_PREDICT_TG
+    
 # -----------------------------------------------------------------------------
 # Console defaults 
 # -----------------------------------------------------------------------------
@@ -1301,6 +1320,15 @@ def build_ui() -> gr.Blocks:
                 with gr.Row():
                     with gr.Column(scale=1):
                         gr.Markdown("### Questions")
+
+                        # --- PRESET BUTTONS ---
+                        with gr.Row():
+                            btn_preset_predict = gr.Button("Load preset: Predict Tg", size="sm")
+                            btn_preset_generate = gr.Button(
+                                "Load preset: Inverse design (Tg target)", size="sm"
+                            )
+                        # ------------------------------
+
                         questions = gr.Textbox(
                             label="Ask your questions",
                             lines=16,
@@ -1325,6 +1353,19 @@ def build_ui() -> gr.Blocks:
                     outputs=[final_answer, ev_imgs],
                 )
 
+                # --- PRESET HANDLERS ---
+                btn_preset_predict.click(
+                    fn=lambda: DEFAULT_CONSOLE_CASE_PREDICT_TG,
+                    inputs=[],
+                    outputs=[questions],
+                )
+                btn_preset_generate.click(
+                    fn=lambda: DEFAULT_CONSOLE_CASE_GENERATE_TG,
+                    inputs=[],
+                    outputs=[questions],
+                )
+                # -------------------------------
+
             with gr.Tab("Tools"):
                 gr.Markdown("Run individual tools for debugging/ad-hoc usage. Visuals are PNG-only.")
 
@@ -1397,6 +1438,13 @@ def build_ui() -> gr.Blocks:
             with gr.Tab("Other LLMs"):
                 gr.Markdown("Run a direct LLM-only response (no tools, no web search) using a non-GPT model name.")
 
+                with gr.Row():
+                    btn_llm_preset_predict = gr.Button("Load preset: Predict Tg", size="sm")
+                    btn_llm_preset_generate = gr.Button(
+                        "Load preset: Inverse design (Tg target)", size="sm"
+                    )
+                # ------------------------------
+
                 llm_model = gr.Dropdown(
                     label="Model",
                     choices=["mixtral-8x22b-instruct", "llama-3.1-8b-instruct"],
@@ -1407,6 +1455,18 @@ def build_ui() -> gr.Blocks:
                 llm_out = gr.Markdown("The model response will appear here.")
                 llm_btn.click(fn=llm_only_answer, inputs=[state, llm_model, llm_prompt], outputs=[llm_out])
 
+                btn_llm_preset_predict.click(
+                    fn=lambda: DEFAULT_CONSOLE_CASE_PREDICT_TG,
+                    inputs=[],
+                    outputs=[llm_prompt],
+                )
+                btn_llm_preset_generate.click(
+                    fn=lambda: DEFAULT_CONSOLE_CASE_GENERATE_TG,
+                    inputs=[],
+                    outputs=[llm_prompt],
+                )
+                # -------------------------------
+
         return demo
 
 
@@ -1421,4 +1481,4 @@ def main():
 
 
 if __name__ == "__main__":
-    main()
+    main()