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# -*- coding: utf-8 -*-
"""
Created on Thu Nov 7 15:38:35 2024
@author: BM109X32G-10GPU-02
"""
from DECIMER import predict_SMILES
from langchain.tools import BaseTool
class graphconverter(BaseTool):
name: str = "graphconverter"
description: str = (
"Input graph path , returns SMILES."
"It was used to convert graph/figure/image containing molecule to SMILES"
)
def __init__(self):
super().__init__()
def _run(self, paths: str) -> str:
try:
SMILES = predict_SMILES(paths)
except:
return 'Please recheck the graph path'
return SMILES
async def _arun(self, smiles: str) -> str:
"""Use the tool asynchronously."""
raise NotImplementedError()
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