UtilReadCoordinate.py > v0.1 > read coordinates of dipoles

Environment

GeForce GTX 1070 (8GB)
ASRock Z170M Pro4S [Intel Z170chipset]
Ubuntu 14.04 LTS desktop amd64
TensorFlow v0.11
cuDNN v5.1 for Linux
CUDA v8.0
Python 2.7.6
IPython 5.1.0 -- An enhanced Interactive Python.
gcc (Ubuntu 4.8.4-2ubuntu1~14.04.3) 4.8.4
GNU bash, version 4.3.8(1)-release (x86_64-pc-linux-gnu)

This article is related to ADDA (light scattering simulator based on the discrete dipole approximation).

About

To read dipole coordinate file produced using this code.

codev v0.1

UtilReadCoordinate.py

from __future__ import absolute_import
from __future__ import division
from __future__ import print_function
import numpy as np
import array
import sys

'''
v0.1 Apr. 09, 2017
   - add read_coordinate_file()
   - add wrap_fromfile()
'''

# codingrule:PEP8
# on Python 2.7.6


# np.set_printoptions(precision=6)


def wrap_fromfile(rfp, typecode, num):
    res = array.array(typecode)
    res.fromfile(rfp, num)
    return res


def debug_group_print(local_nvoid_Ndip, coord):
    print(local_nvoid_Ndip)
    for idx in range(10):
        print('%.5f,%.5f,%.5f' %
              (coord[idx*3], coord[idx*3+1], coord[idx*3+2]))


def read_coordinate_file(crdFilename, debugPrint=False):
    if debugPrint:
        print(crdFilename)

    with open(crdFilename, "rb") as crdfp:
        local_nvoid_Ndip = wrap_fromfile(crdfp, 'i', num=1)
        coord = wrap_fromfile(crdfp, 'd', num=local_nvoid_Ndip[0]*3)

    if debugPrint:
        print(local_nvoid_Ndip)
        for idx in range(10):
            print('%.5f,%.5f,%.5f' %
                  (coord[idx*3], coord[idx*3+1], coord[idx*3+2]))

    return local_nvoid_Ndip[0], coord


if __name__ == '__main__':
    argvs = sys.argv
    argc = len(argvs)

    if (argc < 2):
        print("ERROR: chpoint file is not specified\r\n")
        print("   [cmd] [coordinate file] \r\n")
        sys.exit()

    res = read_coordinate_file(argvs[1], debugPrint=False)
    local_nvoid_Ndip, coord = res
    #
    debug_group_print(local_nvoid_Ndip, coord)

run

$ python UtilReadCoordinate.py coord.0 
9328
-0.20944,-1.46608,-5.23599
0.20944,-1.46608,-5.23599
-1.04720,-1.04720,-5.23599
-0.62832,-1.04720,-5.23599
-0.20944,-1.04720,-5.23599
0.20944,-1.04720,-5.23599
0.62832,-1.04720,-5.23599
1.04720,-1.04720,-5.23599
-1.04720,-0.62832,-5.23599
-0.62832,-0.62832,-5.23599