更新NMR驱动

This commit is contained in:
Hua Haiming
2025-05-11 21:10:25 +08:00
parent 0921848fbe
commit a909e169fa

View File

@@ -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",
)