Update app.py

app.py

@@ -4,6 +4,9 @@ import requests
 import pytz
 import yaml
 from tools.final_answer import FinalAnswerTool
+from typing import List
+import re
+from pymatgen.core.composition import Composition
 
 from Gradio_UI import GradioUI
 
@@ -18,6 +21,48 @@ def my_custom_tool(arg1:str, arg2:int)-> str: #it's import to specify the return
     """
     return "What magic will you build ?"
 
+@tool
+def extract_elements_and_formula(text: str) -> str:
+    """A tool that extracts valid chemical formulas and their elements from a string of text.
+    
+    Args:
+        text: A string possibly containing chemical formulas and element symbols (e.g., from titles or abstracts).
+    """
+    # Regex to match potential formulas like Bi2Te3, Sb2Te3, NaCl, Al2O3, etc.
+    formula_pattern = r'\b(?:[A-Z][a-z]?[0-9]*){1,}\b'
+
+    raw_matches = re.findall(formula_pattern, text)
+    valid_formulas = []
+    all_elements = set()
+
+    for match in raw_matches:
+        try:
+            comp = Composition(match)
+            valid_formulas.append(match)
+            for el in comp.elements:
+                all_elements.add(el.symbol)
+        except Exception:
+            continue  # Not a valid formula
+
+    if not valid_formulas:
+        return "No valid chemical formulas found in the input text."
+
+    return (
+        f"Extracted elements: {', '.join(sorted(all_elements))}\n"
+        f"Extracted formulas: {', '.join(sorted(set(valid_formulas)))}"
+    )
+
+@tool
+def search_materials_topic(query: str) -> str:
+    """A tool that uses DuckDuckGo to search for recent materials science information on a given topic.
+    
+    Args:
+        query: A short text query related to a material, technique, or research concept (e.g., 'high entropy alloys bandgap').
+    """
+    search_tool = DuckDuckGoSearchTool()
+    results = search_tool.run(query)
+    return results
+
 @tool
 def get_current_time_in_timezone(timezone: str) -> str:
     """A tool that fetches the current local time in a specified timezone.