diff --git a/unilabos/devices/NMR/NMR_test.py b/unilabos/devices/NMR/NMR_test.py deleted file mode 100644 index 55c5e7f..0000000 --- a/unilabos/devices/NMR/NMR_test.py +++ /dev/null @@ -1,49 +0,0 @@ -import os -from datetime import datetime - -def generate_experiment_file( # 必填参数:输出路径 - user: str = "admin", # 默认值参数 - holder: int = 1, # 默认值参数 - name: str = "Samplename1", # 默认值参数 - expno: int = 1, # 默认值参数 - solvent: str = "D2O", # 默认值参数 - experiment: str = "PROTON16", # 默认值参数 - title: str = "test_1H", - save_root: str = None, # 默认动态生成 -): - - # 生成文件内容 - content = f"""USER {user} -HOLDER {holder} -NAME {name} -EXPNO {expno} -SOLVENT {solvent} -EXPERIMENT {experiment} -TITLE {title} -END -""" - # 生成文件名(当前日期) - filename = datetime.now().strftime("%Y%m%d%H%M") + ".txt" - - # 创建输出目录(如果不存在) - os.makedirs(save_root, exist_ok=True) - - # 写入文件 - filepath = os.path.join(save_root, filename) - with open(filepath, "w") as f: - f.write(content) - - return filepath - -# 使用示例 - -generate_experiment_file( - user="chem_user", - holder=1, - name="MySample", - expno=2, - solvent="CDCl3", - experiment = "PROTON16", - save_root=r"D:\Uni-lab\NMR", -) -