Update src/streamlit_app.py

src/streamlit_app.py

@@ -501,8 +501,9 @@ Plain text only — no code fences. Markdown link syntax (`[text](url)`) is allo
 
 def gpt_fix_smiles(bad_smiles, client):
     prompt = f"""
-The following is an invalid or broken SMILES or SMARTS string: '{bad_smiles}'
-Please correct it if possible. Only return a valid SMILES/SMARTS string, or say 'INVALID' if impossible.
+You are an expert chemist. The following is an invalid or broken SMILES or SMARTS string: '{bad_smiles}'
+If possible, output a valid SMILES/SMARTS string (no commentary, no explanation, only the string).
+If impossible, just return 'INVALID'.
 """
     rsp = client.chat.completions.create(
         model="gpt-4o",
@@ -512,7 +513,13 @@ Please correct it if possible. Only return a valid SMILES/SMARTS string, or say
         n=1,
     )
     answer = rsp.choices[0].message.content.strip()
-    return answer if answer.upper() != 'INVALID' else None
+    answer = answer.replace("Output:", "").replace("output:", "").replace('"', "").replace("'", "").strip()
+    # 只取第一行
+    answer = answer.splitlines()[0]
+    # 忽略各种 INVALID 拼写和标点
+    if answer.upper().startswith("INVALID"):
+        return None
+    return answer