Question

我正在尝试修改脚本。这对我来说很难，所以我来寻求帮助。此脚本应从一些.out文件中提取数据，然后将其写入.txt文件中。问题是我有两个不同的关键字要查找。所以，我提供脚本，我无法修改的东西，然后是输入文件的两个例子。

#!/usr/bin/env python
# -*- coding: utf-8

#~ Data analysis
import glob, subprocess, shutil, os, math
from funciones import *
for namefile in glob.glob("*.mol2"):
    lstmol2 = []
    lstG=[]
    os.chdir("some_directory")
    searchprocess="grep -i -H 'CURRENT VALUE OF HEAT OF FORMATION =' *.out | sort -k 4 > firstfile.txt" 
#~I need also to look for 'CURRENT BEST VALUE OF HEAT OF FORMATION ='
    os.system(searchprocess)

    fileout=open("results.txt","w")   
    filein=open("firstfile.txt", "r")
    #~ write data in results.txt
    fileout.write('\t %s \n' %("  HOF"))

    for line in filein:
        linediv=line.split()
        HOF=float(linediv[8])

  #~or [10] (for the keyword in need to add) but in both cases I need the float. I need both data of the keywords be included on this file.
        lstG.append(HOF)  
     fileout.close()  
    filein.close()

输入数据，输入1：

foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
foofoofooofoofoofoofoofoo
CURRENT VALUE OF HEAT OF FORMATION = 1928
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov

输入数据，输入2：

foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
foofoofooofoofoofoofoofoo
CURRENT BEST VALUE OF HEAT OF FORMATION = 1930
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov

Answer 1

您应该更新grep命令，以便使用?运算符查找可选字。使用-E标志启用扩展正则表达式，这样您就不必转义正则表达式运算符。始终在模式周围使用单引号：

searchprocess="grep -E -i -H 'CURRENT( BEST)? VALUE OF HEAT OF FORMATION =' *.out | sort -k 4 > firstfile.txt"

@PrestonHager是正确的，您应该将linediv[8]更改为linediv[-1]，因为在存在BEST的情况下，该数字将位于linediv[9]位置，但在这两种情况下{ {1}}将为您提供所需的结果。

如何修改此脚本以搜索多个关键字？

1 个答案: