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chore: change docstring
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tests/test_atom.py

Lines changed: 2 additions & 4 deletions
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@@ -76,7 +76,7 @@ def test___init__(self):
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# return
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def test_msdLat(self):
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"""Check Atom.msd_latt (and deprecated Atom.msdLat alias)."""
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"""Check Atom.msdLat."""
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hexagonal = Lattice(1, 1, 1, 90, 90, 120)
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atom_1 = Atom("C", [0, 0, 0], lattice=hexagonal, Uisoequiv=0.0123)
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assert atom_1.msdLat([1, 2, 3]) == pytest.approx(0.0123, rel=0, abs=1e-15)
@@ -95,10 +95,9 @@ def test_msdLat(self):
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vl = hexagonal.fractional(vc)
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assert atom_2.msdLat(vl) == pytest.approx(atom_2.msd_cart(vc), rel=1e-13, abs=1e-13)
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return
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def test_msdCart(self):
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"""Check Atom.msd_cart (and deprecated Atom.msdCart alias)."""
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"""Check Atom.msdCart."""
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hexagonal = Lattice(1, 1, 1, 90, 90, 120)
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atom_1 = Atom("C", [0, 0, 0], lattice=hexagonal, Uisoequiv=0.0456)
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assert atom_1.msdCart([1, 0, 0]) == pytest.approx(0.0456, rel=0, abs=1e-15)
@@ -117,7 +116,6 @@ def test_msdCart(self):
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vc = numpy.array([0.4, 1.1, -0.6], dtype=float)
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assert atom_2.msdCart(vc) == pytest.approx(atom_2.msdCart(3.7 * vc), rel=1e-13, abs=1e-13)
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return
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def test_xyz_cartn(self):
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"""Check Atom.xyz_cartn property."""

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