python之我如何放置这些数据它的文件扩展名为.xvg

我是 Python 新手。我试过这个脚本，但它不起作用。 它给我这个错误:

Traceback (most recent call last): 
    File "temp.py", line 11, in <module> 
     y = [row.split(' ')[1] for row in data] 
    File "temp.py", line 11, in <listcomp> 
    y = [row.split(' ')[1] for row in data] 
IndexError: list index out of range 

脚本是:

import numpy as np 
import matplotlib.pyplot as plt 
 
with open("data.xvg") as f: 
    data = f.read() 
    data = data.split('\n') 
 
x = [row.split(' ')[0] for row in data] 
y = [row.split(' ')[1] for row in data] 
 
fig = plt.figure() 
ax1 = fig.add_subplot(111) 
ax1.set_title("Plot title...")     
ax1.set_xlabel('your x label..') 
ax1.set_ylabel('your y label...') 
ax1.plot(x,y, c='r', label='the data') 
leg = ax1.legend() 
plt.show()     

数据是:

    0.000000  299.526978 
    1.000000    4.849206 
    2.000000    0.975336 
    3.000000    0.853160 
    4.000000    0.767092 
    5.000000    0.995595 
    6.000000    0.976332 
    7.000000    1.111898 
    8.000000    1.251045 
    9.000000    1.346720 
   10.000000    1.522089 
   11.000000    1.705517 
   12.000000    1.822599 
   13.000000    1.988752 
   14.000000    2.073061 
   15.000000    2.242703 
   16.000000    2.370366 
   17.000000    2.530256 
   18.000000    2.714863 
   19.000000    2.849218 
   20.000000    3.033373 
   21.000000    3.185251 
   22.000000    3.282328 
   23.000000    3.431681 
   24.000000    3.668798 
   25.000000    3.788214 
   26.000000    3.877117 
   27.000000    4.032224 
   28.000000    4.138007 
   29.000000    4.315784 
   30.000000    4.504521 
   31.000000    4.668567 
   32.000000    4.787213 
   33.000000    4.973860 
   34.000000    5.128736 
   35.000000    5.240545 
   36.000000    5.392560 
   37.000000    5.556009 
   38.000000    5.709351 
   39.000000    5.793169 
   40.000000    5.987224 
   41.000000    6.096015 
   42.000000    6.158622 
   43.000000    6.402116 
   44.000000    6.533816 
   45.000000    6.711002 
   46.000000    6.876793 
   47.000000    7.104519 
   48.000000    7.237456 
   49.000000    7.299352 
   50.000000    7.471975 
   51.000000    7.691428 
   52.000000    7.792002 
   53.000000    7.928269 
   54.000000    8.014977 
   55.000000    8.211984 
   56.000000    8.330894 
   57.000000    8.530197 
   58.000000    8.690166 
   59.000000    8.808934 
   60.000000    8.996209 
   61.000000    9.104818 
   62.000000    9.325309 
   63.000000    9.389288 
   64.000000    9.576900 
   65.000000    9.761865 
   66.000000    9.807437 
   67.000000   10.027261 
   68.000000   10.129250 
   69.000000   10.392891 
   70.000000   10.497618 
   71.000000   10.627769 
   72.000000   10.811770 
   73.000000   11.119184 
   74.000000   11.181286 
   75.000000   11.156842 
   76.000000   11.350290 
   77.000000   11.493779 
   78.000000   11.720265 
   79.000000   11.700112 
   80.000000   11.939404 
   81.000000   12.293530 
   82.000000   12.267791 
   83.000000   12.394929 
   84.000000   12.545286 
   85.000000   12.784669 
   86.000000   12.754122 
   87.000000   13.129798 
   88.000000   13.166340 
   89.000000   13.389514 
   90.000000   13.436648 
   91.000000   13.647285 
   92.000000   13.722875 
   93.000000   13.992217 
   94.000000   14.167837 
   95.000000   14.320843 
   96.000000   14.450310 
   97.000000   14.515556 
   98.000000   14.598526 
   99.000000   14.807360 
  100.000000   14.982592 
  101.000000   15.312892 
  102.000000   15.280009 

请您参考如下方法:

如果它是来自 GROMACS 的 xvg 文件，它可能有一些以 @ 开头的注释，因此无需编辑该文件，您可以:

x,y = np.loadtxt("file.xvg",comments="@",unpack=True) 
plt.plot(x,y) 

unpack=True 使列作为单独的数组出现，并在左侧设置为 x 和 y。当然你也可以解析评论来获取标签和图例。