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test(unit): add tests for ForceTorqueCalculator._displacements_relative_to_center
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tests/unit/CodeEntropy/levels/test_forces_force_torque_calculator.py

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@@ -236,3 +236,32 @@ def test_compute_weighted_torque_skips_nonpositive_moi_components():
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weighted = calc._compute_weighted_torque(bead=bead, inputs=inputs)
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assert np.allclose(weighted, np.array([1.0, 0.0, 0.0]))
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def test_displacements_requires_axes_manager():
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with pytest.raises(ValueError, match="axes_manager must be provided"):
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ForceTorqueCalculator._displacements_relative_to_center(
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center=np.zeros(3),
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positions=np.zeros((1, 3)),
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axes_manager=None,
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box=None,
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)
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def test_displacements_calls_axes_manager_get_vector():
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axes_manager = MagicMock()
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expected = np.array([[1.0, 2.0, 3.0]])
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axes_manager.get_vector.return_value = expected
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center = np.zeros(3)
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positions = np.array([[1.0, 2.0, 3.0]])
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result = ForceTorqueCalculator._displacements_relative_to_center(
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center=center,
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positions=positions,
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axes_manager=axes_manager,
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box=None,
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)
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axes_manager.get_vector.assert_called_once_with(center, positions, None)
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assert np.array_equal(result, expected)

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