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1
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import pytest |
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2
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import amd |
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3
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import numpy as np |
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4
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5
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6
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def test_diameter(): |
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7
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hex_cell = np.identity(3) |
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8
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hex_cell[1, 0] = -0.5 |
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9
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hex_cell[1, 1] = np.sin(np.deg2rad(120.0)) |
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10
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cells_and_diams = [(np.identity(3), np.sqrt(3)), (hex_cell, 2)] |
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11
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12
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for cell, diam in cells_and_diams: |
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13
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d = amd.diameter(cell) |
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14
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if not np.abs(d - diam) < 1e-15: |
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15
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pytest.fail(f"amd.diameter() of {cell} should be {diam}, got {d}") |
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16
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17
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18
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def test_cellpar_to_cell(): |
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19
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hex_cellpar = np.array([1.0, 1.0, 1.0, 90.0, 90.0, 120.0]) |
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20
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hex_cell = np.identity(3) |
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21
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hex_cell[1, 0] = -0.5 |
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22
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hex_cell[1, 1] = np.sin(np.deg2rad(120.0)) |
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23
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24
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cellpar_2 = np.array([1.0, 2.0, 3.0, 60.0, 90.0, 120.0]) |
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25
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cell_2 = np.identity(3) |
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26
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cell_2[1, 0] = -1 |
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27
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cell_2[1, 1] = 2 * np.sin(np.deg2rad(cellpar_2[5])) |
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28
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cy = 0.5 / np.sin(np.deg2rad(120)) |
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29
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cell_2[2, 1] = 3 * cy |
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30
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cell_2[2, 2] = 3 * np.sqrt(1.0 - cy**2) |
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31
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cellpars_and_cells = [(hex_cellpar, hex_cell), (cellpar_2, cell_2)] |
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32
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33
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for cellpar, cell in cellpars_and_cells: |
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34
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cell_ = amd.cellpar_to_cell(cellpar) |
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35
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if not np.allclose(cell, cell_): |
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36
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pytest.fail( |
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37
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f"amd.cellpar_to_cell() of {cellpar} should be {hex_cell}, got " |
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38
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f"{cell}" |
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39
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) |
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40
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dwiddo /
average-minimum-distance
