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from __future__ import absolute_import, division
import numpy as np
from numpy.testing import (assert_almost_equal,
assert_equal)
from gridData import Grid
from . import datafiles
def test_gOpenMol():
g = Grid(datafiles.gOpenMol)
POINTS = 192
assert g.grid.size == 165048
assert_almost_equal(g.delta, [1.0, 1.0, 1.0])
assert_equal(g.grid.shape, (46, 46, 78))
assert_almost_equal(g.origin, [0.5995016, 0.5995016, 0.5919984])
assert_almost_equal(g.grid[::20, ::20, ::30],
np.array([[[1.02196848, 0. , 0.88893718],
[0.99051529, 0. , 0.95906246],
[0.96112466, 0. , 0.88996845]],
[[0.97247058, 0. , 0.91574967],
[1.00237465, 1.34423399, 0.87810922],
[0.97917157, 0. , 0.84717268]],
[[0.99103099, 0. , 0.86521846],
[0.96421844, 0. , 0. ],
[0.98432779, 0. , 0.8817184 ]]])
)
assert_almost_equal(g.grid.mean(), 0.5403224581733577)
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