如何在 python 中更改多个文件 (gjf)

Question

所以我试图更改多个文件中的内容，从文件中的字母 Cl 到 F。

首先要注意的是 python 无法读取我的输入文件 (gjf)，因此我必须先将它们转换为 txt 文件。

我可以单独执行每个步骤，但是当我将它们放在一起并进入循环时，它似乎不起作用，有人可以帮忙吗？

代码：

#import modules
import os

#makes a path to CWD and stored as a string
cwd = str( os.getcwd() )

#finds the root, fodlers and and all the files in the cwd and stores them as 
the variable 'roots' dirs and allfiles
for root, dirs, allfiles in os.walk(r'%s'%(cwd)):
continue

#make a collection of gjf files in the folder
my_files=[]
for i in range(0,len(allfiles),1):
     if allfiles[i].endswith('.gjf'):
         my_files.append(allfiles[i])

 else:continue

#makes all gjf files in txt files

for i in range(0,len(my_files),1):
    base= os.path.splitext(my_files[i]) 
    src=my_files[i]
    os.rename(src, base +'.txt')


#replaces all the Cl ligands with F
for i in range(0,len(my_files),1): 
    s = open("my_files[i]").read()
    s = s.replace('Cl', 'F')
    f = open("my_files[i]", 'w')
    f.write(s)
    f.close()

`

Answer 1

您不需要将其转换为 txt。另外，使用 glob 获取一种类型的所有文件。检查此测试示例：

代码：

from glob import glob


# prepare test file
with open('test.gjf', 'w') as f:
    f.write('Cl foo bar ClbarCl')

# print its content
with open('test.gjf', 'r') as f:
    content = f.read()
    print('Before:')
    print(content)

list_of_files = glob('*.gjf')  # get list of all .gjf files

for file in list_of_files:

    # read file:
    with open(file, 'r') as f:
        content = f.read()

    # replace Cl to F:
    new_content = content.replace('Cl', 'F')

    # Write changes:
    with open(file, 'w') as f:
        f.write(new_content)

# Test result
with open('test.gjf', 'r') as f:
    content = f.read()
    print('After:')
    print(content)

输出：

Before:
Cl foo bar ClbarCl
After:
F foo bar FbarF

如何在 python 中更改多个文件 (gjf)

How to change multiple files (gjf) in python

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