update max_ratio to 0.8

#1
by zhilian1 - opened
Files changed (1) hide show
  1. fragment_processor.py +1 -1
fragment_processor.py CHANGED
@@ -47,7 +47,7 @@ def count_heavy_atoms(smi):
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  return heavy_count
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- def fragmentize_molecule(smiles_string: str, max_ratio: float = 0.2) -> pd.DataFrame:
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  """
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  对单个分子进行 fragment 化处理:
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  1. 将 SMILES 字符串写入临时文件(同时写入标题信息)
 
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  return heavy_count
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+ def fragmentize_molecule(smiles_string: str, max_ratio: float = 0.8) -> pd.DataFrame:
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  """
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  对单个分子进行 fragment 化处理:
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  1. 将 SMILES 字符串写入临时文件(同时写入标题信息)