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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Mar 14, 2024
1 parent 71f24ff commit ad1d5ae
Showing 1 changed file with 206 additions and 45 deletions.
251 changes: 206 additions & 45 deletions source/tests/tf/test_model_dos.py
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Original file line number Diff line number Diff line change
Expand Up @@ -123,53 +123,214 @@ def test_model(self):
[pred_dos, pred_atom_dos] = sess.run([dos, atom_dos], feed_dict=feed_dict_test)

ref_dos = np.array(
[ -1.98049388, -4.58033899, -6.95508968, -0.79619016,
15.58478599, 2.7636959 , -2.99147438, -6.94430794,
-1.77877141, -4.5000298 , -3.12026893, -8.42191319,
3.8991195 , 4.85271854, 8.30541908, -1.0435944 ,
-4.42713079, 19.70011955, -6.53945284, 0.85064846,
4.36868488, 4.77303801, 3.00829128, 0.70043584,
-7.69047143, -0.0647043 , 4.56830405, -8.67154404,
-4.64015279, -7.62202078, -8.97078455, -5.19685985,
-1.66080276, -6.03225716, -4.06780949, -0.53046979,
8.3543131 , -1.84893576, 2.42669245, -4.26357086,
-11.33995527, 10.98529887, -10.70000829, -4.50179402,
-1.34978505, -8.83091676, -11.85324773, -3.6305035 ,
2.89933807, 4.65750153, 1.25464578, -5.06196944,
10.05305042, -1.83868447, -11.57017913, -2.03900316,
-3.37235187, -1.37010554, -2.93769471, 0.11905709,
6.99367431, 3.48640865, -4.16242817, 4.44778342,
-0.98405367, 1.81581506, -5.31481686, 8.72426364,
4.78954098, 7.67879332, -5.00417706, 0.79717914,
-3.20581567, -2.96034568, 6.31165294, 2.9891188 ,
-12.2013139 , -13.67496037, 4.77102881, 2.71353286,
6.83849229, -3.50400312, 1.3839428 , -5.07550528,
-8.5623218 , 17.64081151, 6.46051807, 2.89067584,
14.23057359, 17.85941763, -6.46129295, -3.43602528,
-3.13520203, 4.45313732, -5.23012576, -2.65929557,
-0.66191939, 4.47530191, 9.33992973, -6.29808733])
[
-1.98049388,
-4.58033899,
-6.95508968,
-0.79619016,
15.58478599,
2.7636959,
-2.99147438,
-6.94430794,
-1.77877141,
-4.5000298,
-3.12026893,
-8.42191319,
3.8991195,
4.85271854,
8.30541908,
-1.0435944,
-4.42713079,
19.70011955,
-6.53945284,
0.85064846,
4.36868488,
4.77303801,
3.00829128,
0.70043584,
-7.69047143,
-0.0647043,
4.56830405,
-8.67154404,
-4.64015279,
-7.62202078,
-8.97078455,
-5.19685985,
-1.66080276,
-6.03225716,
-4.06780949,
-0.53046979,
8.3543131,
-1.84893576,
2.42669245,
-4.26357086,
-11.33995527,
10.98529887,
-10.70000829,
-4.50179402,
-1.34978505,
-8.83091676,
-11.85324773,
-3.6305035,
2.89933807,
4.65750153,
1.25464578,
-5.06196944,
10.05305042,
-1.83868447,
-11.57017913,
-2.03900316,
-3.37235187,
-1.37010554,
-2.93769471,
0.11905709,
6.99367431,
3.48640865,
-4.16242817,
4.44778342,
-0.98405367,
1.81581506,
-5.31481686,
8.72426364,
4.78954098,
7.67879332,
-5.00417706,
0.79717914,
-3.20581567,
-2.96034568,
6.31165294,
2.9891188,
-12.2013139,
-13.67496037,
4.77102881,
2.71353286,
6.83849229,
-3.50400312,
1.3839428,
-5.07550528,
-8.5623218,
17.64081151,
6.46051807,
2.89067584,
14.23057359,
17.85941763,
-6.46129295,
-3.43602528,
-3.13520203,
4.45313732,
-5.23012576,
-2.65929557,
-0.66191939,
4.47530191,
9.33992973,
-6.29808733,
]
)

ref_ados_1 = np.array(
[-0.33019322, -0.76332506, -1.15916671, -0.13280604, 2.59680457,
0.46049936, -0.49890317, -1.15747878, -0.2964021 , -0.74953328,
-0.51982728, -1.40236941, 0.64964525, 0.8084967 , 1.38371838,
-0.17366078, -0.7374573 , 3.28274006, -1.09001574, 0.14173437,
0.7269307 , 0.79545851, 0.50059876, 0.1165872 , -1.28106632,
-0.01107711, 0.76139868, -1.44547292, -0.77352498, -1.26982082,
-1.49597963, -0.86647985, -0.27728806, -1.00542829, -0.67794229,
-0.08898442, 1.39205396, -0.30789099, 0.40393006, -0.70982912,
-1.88961087, 1.830906 , -1.78326071, -0.75013615, -0.22537904,
-1.47257916, -1.9756803 , -0.60493323, 0.48350014, 0.77676571,
0.20885468, -0.84351691, 1.67501205, -0.30662021, -1.92884376,
-0.34021625, -0.56212664, -0.22884438, -0.4891038 , 0.0199886 ,
1.16506594, 0.58068956, -0.69376438, 0.74156043, -0.16360848,
0.30303168, -0.88639571, 1.453683 , 0.79818052, 1.2796414 ,
-0.8335433 , 0.13359098, -0.53425462, -0.4939294 , 1.05247266,
0.49770575, -2.03320073, -2.27918678, 0.79462598, 0.45187804,
1.13925239, -0.58410808, 0.23092918, -0.84611213, -1.42726499,
2.93985879, 1.07635712, 0.48092082, 2.37197063, 2.97647126,
-1.07670667, -0.57300341, -0.52316403, 0.74274268, -0.87188274,
-0.44279998, -0.11060956, 0.74619435, 1.55646754, -1.05043903])
[
-0.33019322,
-0.76332506,
-1.15916671,
-0.13280604,
2.59680457,
0.46049936,
-0.49890317,
-1.15747878,
-0.2964021,
-0.74953328,
-0.51982728,
-1.40236941,
0.64964525,
0.8084967,
1.38371838,
-0.17366078,
-0.7374573,
3.28274006,
-1.09001574,
0.14173437,
0.7269307,
0.79545851,
0.50059876,
0.1165872,
-1.28106632,
-0.01107711,
0.76139868,
-1.44547292,
-0.77352498,
-1.26982082,
-1.49597963,
-0.86647985,
-0.27728806,
-1.00542829,
-0.67794229,
-0.08898442,
1.39205396,
-0.30789099,
0.40393006,
-0.70982912,
-1.88961087,
1.830906,
-1.78326071,
-0.75013615,
-0.22537904,
-1.47257916,
-1.9756803,
-0.60493323,
0.48350014,
0.77676571,
0.20885468,
-0.84351691,
1.67501205,
-0.30662021,
-1.92884376,
-0.34021625,
-0.56212664,
-0.22884438,
-0.4891038,
0.0199886,
1.16506594,
0.58068956,
-0.69376438,
0.74156043,
-0.16360848,
0.30303168,
-0.88639571,
1.453683,
0.79818052,
1.2796414,
-0.8335433,
0.13359098,
-0.53425462,
-0.4939294,
1.05247266,
0.49770575,
-2.03320073,
-2.27918678,
0.79462598,
0.45187804,
1.13925239,
-0.58410808,
0.23092918,
-0.84611213,
-1.42726499,
2.93985879,
1.07635712,
0.48092082,
2.37197063,
2.97647126,
-1.07670667,
-0.57300341,
-0.52316403,
0.74274268,
-0.87188274,
-0.44279998,
-0.11060956,
0.74619435,
1.55646754,
-1.05043903,
]
)

places = 4
np.testing.assert_almost_equal(pred_dos, ref_dos, places)
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