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更新NMR驱动
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@@ -1,49 +0,0 @@
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import os
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from datetime import datetime
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def generate_experiment_file( # 必填参数:输出路径
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user: str = "admin", # 默认值参数
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holder: int = 1, # 默认值参数
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name: str = "Samplename1", # 默认值参数
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expno: int = 1, # 默认值参数
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solvent: str = "D2O", # 默认值参数
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experiment: str = "PROTON16", # 默认值参数
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title: str = "test_1H",
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save_root: str = None, # 默认动态生成
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):
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# 生成文件内容
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content = f"""USER {user}
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HOLDER {holder}
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NAME {name}
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EXPNO {expno}
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SOLVENT {solvent}
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EXPERIMENT {experiment}
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TITLE {title}
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END
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"""
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# 生成文件名(当前日期)
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filename = datetime.now().strftime("%Y%m%d%H%M") + ".txt"
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# 创建输出目录(如果不存在)
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os.makedirs(save_root, exist_ok=True)
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# 写入文件
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filepath = os.path.join(save_root, filename)
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with open(filepath, "w") as f:
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f.write(content)
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return filepath
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# 使用示例
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generate_experiment_file(
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user="chem_user",
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holder=1,
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name="MySample",
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expno=2,
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solvent="CDCl3",
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experiment = "PROTON16",
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save_root=r"D:\Uni-lab\NMR",
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)
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