将两个文件中相同的ID列的SMILES补充【Python】

爱吃冰激凌的蜡笔

于 2022-10-25 14:45:57 发布

阅读量531

点赞数

分类专栏：笔记文章标签： python 数据库开发语言

本文链接：https://blog.csdn.net/weixin_45893089/article/details/127513225

版权

笔记专栏收录该内容

12 篇文章

订阅专栏

import sqlite3

import pandas as pd
import csv
import os.path
import shutil

BASE_DIR = os.path.dirname(os.path.abspath(__file__))
db_path = os.path.join(BASE_DIR,"event.db")
conn = sqlite3.connect(db_path)

df_drug = pd.read_sql('select * from drug;', conn)
drug = df_drug.to_csv("/home/gdut/HO/MDF_SA_DDI/drug.csv")

f = open("drug1.csv",'w',encoding='utf-8',newline="")
csv_writer = csv.writer(f)
csv_writer.writerow(['index','id','target','enzyme','pathway','smile','name'])




with open("drug.csv",'r',encoding='utf8') as fp1:
    list1 = [i for i in csv.reader(fp1)]
    #print(list1)


with open("structure_links.csv","r",encoding='utf8') as fp2:
    list2 = [i for i in csv.reader(fp2)]
    #print(list2)



for i in list1:
    #print(i[2])
    for j in list2:
        #print(j[0])
        if(i[2] == j[0]):
            csv_writer.writerow([i[1],i[2],i[3],i[4],i[5],j[6],i[7]])
            #print(j[6])