我正在修改一个脚本。这对我来说很困难,所以我来寻求帮助。这个脚本应该从一些.out
文件中提取数据,然后将它们写入.txt
文件中。问题是我有两个不同的关键字要找。所以,我提供的脚本,我不能修改的东西,然后两个输入文件的例子。你知道吗
#!/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,类型1:
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
foofoofooofoofoofoofoofoo
CURRENT VALUE OF HEAT OF FORMATION = 1928
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
输入数据,类型2:
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
foofoofooofoofoofoofoofoo
CURRENT BEST VALUE OF HEAT OF FORMATION = 1930
foofoofooofoofoofoofoofoo
foofoofooofoofoofoofoofoov
您应该更新
grep
命令,用?
运算符查找可选单词。使用-E
标志启用扩展正则表达式,这样就不必转义regex操作符。在模式周围始终使用单引号:@PrestonHager是正确的,您应该将
linediv[8]
更改为linediv[-1]
,因为在存在最佳值的情况下,数字将位于linediv[9]
位置,但在这两种情况下linediv[-1]
都会给出所需的结果。你知道吗相关问题 更多 >
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