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