15 lines
323 B
Python
15 lines
323 B
Python
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from pytest import approx
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from mdevaluate import pbc
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import numpy as np
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def test_pbc_diff():
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x = np.random.rand(10, 3)
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y = np.random.rand(10, 3)
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box = np.ones((3,))
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assert (pbc.pbc_diff(x, x, box) == approx(0))
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dxy = (pbc.pbc_diff(x, y, box)**2).sum(axis=1)**0.5
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assert (dxy <= 0.75**0.5).all()
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