從使用Python

Question

文件讀取部分數組我有一個看起來像這樣的文件：

C  0.210991841737  0.047663662717  0.483960886619 
    C -0.960965312103  0.688519555303 -0.115848688934 
    C  1.558206749694  0.047460114159 -0.180267436891 
    O -0.815251456906 -0.734986972268 -0.138532905591 
    H  0.223550547304 -0.045637654519  1.567373484970 
    H -1.759483315918  1.063259112311  0.516330435381 
    H -0.862256972568  1.177986074652 -1.079897880020 
    H  2.088617117792 -0.883541600456  0.026321487274 
    H  2.169362364888  0.872235726981  0.192209317060 
    H  1.455347299576  0.149768052462 -1.260354487995 

我需要只讀數字並將其存儲在一個10x3矩陣。我如何在Python中做到這一點？

Answer 1

你可以使用pandas做到這一點：

In [1]: import pandas as pd 

In [2]: df = pd.read_csv(file_name, sep='\s+', header=None) 

In [3]: df 
Out[3]: 
    0   1   2   3 
0 C 0.210992 0.047664 0.483961 
1 C -0.960965 0.688520 -0.115849 
2 C 1.558207 0.047460 -0.180267 
3 O -0.815251 -0.734987 -0.138533 
4 H 0.223551 -0.045638 1.567373 
5 H -1.759483 1.063259 0.516330 
6 H -0.862257 1.177986 -1.079898 
7 H 2.088617 -0.883542 0.026321 
8 H 2.169362 0.872236 0.192209 
9 H 1.455347 0.149768 -1.260354 

Answer 2

隨着numpy：

>>> np.loadtxt('data.txt', usecols=(1,2,3)) 
array([[ 0.21099184, 0.04766366, 0.48396089], 
     [-0.96096531, 0.68851956, -0.11584869], 
     [ 1.55820675, 0.04746011, -0.18026744], 
     [-0.81525146, -0.73498697, -0.13853291], 
     [ 0.22355055, -0.04563765, 1.56737348], 
     [-1.75948332, 1.06325911, 0.51633044], 
     [-0.86225697, 1.17798607, -1.07989788], 
     [ 2.08861712, -0.8835416 , 0.02632149], 
     [ 2.16936236, 0.87223573, 0.19220932], 
     [ 1.4553473 , 0.14976805, -1.26035449]]) 

Answer 3

>>> with open('abc') as f: 
...  mat = [map(float,line.split()[1:]) for line in f] 
...  
>>> mat 
[[0.210991841737, 0.047663662717, 0.483960886619], 
[-0.960965312103, 0.688519555303, -0.115848688934], 
[1.558206749694, 0.047460114159, -0.180267436891], 
[-0.815251456906, -0.734986972268, -0.138532905591], 
[0.223550547304, -0.045637654519, 1.56737348497], 
[-1.759483315918, 1.063259112311, 0.516330435381], 
[-0.862256972568, 1.177986074652, -1.07989788002], 
[2.088617117792, -0.883541600456, 0.026321487274], 
[2.169362364888, 0.872235726981, 0.19220931706], 
[1.455347299576, 0.149768052462, -1.260354487995]]