Applying function over each row in a numpy array?

Question

I am trying to write a script that includes following line,

fra = struct.frac_coords

and "fra" gives following answer:

array([[ 0.01106406,  0.11554355,  0.50754736],
   [ 0.00294858,  0.24640931,  0.99887037],
   [ 0.37046412,  0.08121749,  0.9386742 ],
   [ 0.49430774,  0.07065645,  0.7479905 ],
   [ 0.6249222 ,  0.04073112,  0.56187813]])

and then I have the following line:

periodic = struct.get_sites([ 0.01106406,  0.11554355,  0.50754736], 5.95, include_index=True)

print(periodic)

So I have to input each line of the array obtained from "fra" into the "periodic" line to get the results. How can I make the lines in a way that I wouldn't need to put the lines of the array into the "periodic" commend?

Thank you.

cs95 · Accepted Answer · 2017-08-14 03:03:42Z

1

You're in luck! There's an awesome thing called the for loop that lets you loop over each row in turn and compute the same.

fra = struct.frac_coords

for row in fra:
    periodic = struct.get_sites(row, 5.95, include_index=True) 
    print(periodic)

answered Aug 14, 2017 at 3:03

cs95

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王晓晨 · Accepted Answer · 2017-08-14 03:11:05Z

0

I use list comprehension to do this job.

   import numpy as np
    x = np.array([[ 0.01106406,  0.11554355,  0.50754736],
       [ 0.00294858,  0.24640931,  0.99887037],
       [ 0.37046412,  0.08121749,  0.9386742 ],
       [ 0.49430774,  0.07065645,  0.7479905 ],
       [ 0.6249222 ,  0.04073112,  0.56187813]])

    def get_sites(a):
        return a*2

    [get_sites(y) for y in x]

answered Aug 14, 2017 at 3:11

王晓晨

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