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1
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import numpy as np |
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2
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import pytest |
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3
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import amd |
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4
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5
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6
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def test_AMD(reference_data): |
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7
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for name in reference_data: |
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8
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for s in reference_data[name]: |
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9
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calc_amd = amd.AMD(s, 100) |
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10
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if not np.allclose(calc_amd, s.amd): |
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11
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pytest.fail(f'AMD of structure {s.name} disagrees with reference.\n' + \ |
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12
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'reference: ' + str(s.amd) + '\ncalculated: ' + str(calc_amd)) |
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13
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14
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15
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def test_PDD(reference_data): |
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16
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for name in reference_data: |
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17
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for s in reference_data[name]: |
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18
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calc_pdd = amd.PDD(s, 100) |
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19
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if not np.allclose(calc_pdd, s.pdd): |
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20
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abs_diffs = np.abs(calc_pdd - s.pdd) |
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21
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print(abs_diffs, np.amax(abs_diffs)) |
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22
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pytest.fail(f'PDD of structure {s.name} disagrees with reference.\n' + \ |
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23
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'reference: ' + str(s.pdd) + '\ncalculated: ' + str(calc_pdd) + \ |
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24
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'diffs' + str(np.sort(abs_diffs.flatten())[::-1][:10])) |
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25
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26
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27
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def test_PDD_to_AMD(reference_data): |
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28
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for name in reference_data: |
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29
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for s in reference_data[name]: |
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30
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calc_pdd = amd.PDD(s, 100) |
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31
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calc_amd = amd.AMD(s, 100) |
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32
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amd_from_pdd = amd.PDD_to_AMD(calc_pdd) |
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33
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if not np.allclose(calc_amd, amd_from_pdd): |
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34
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pytest.fail(f'Directly calculated AMD of structure {s.name} disagrees with ' + \ |
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35
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'AMD calculated from PDD.\n') |
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36
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37
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38
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def test_AMD_finite(): |
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39
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trapezium = np.array([[0,0],[1,1],[3,1],[4,0]]) |
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40
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kite = np.array([[0,0],[1,1],[1,-1],[4,0]]) |
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41
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trap_amd = amd.AMD_finite(trapezium) |
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42
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kite_amd = amd.AMD_finite(kite) |
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43
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dist = np.linalg.norm(trap_amd - kite_amd) |
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44
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if not abs(dist - 0.6180339887498952) < 1e-16: |
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45
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pytest.fail(f'AMDs of finite sets trapezium and kite are different than expected.\n') |
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46
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47
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48
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def test_PDD_finite(): |
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49
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trapezium = np.array([[0,0],[1,1],[3,1],[4,0]]) |
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50
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kite = np.array([[0,0],[1,1],[1,-1],[4,0]]) |
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51
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trap_pdd = amd.PDD_finite(trapezium) |
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52
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kite_pdd = amd.PDD_finite(kite) |
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53
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dist = amd.EMD(trap_pdd, kite_pdd) |
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54
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if not abs(dist - 0.874032) < 1e-8: |
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55
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pytest.fail(f'PDDs of finite sets trapezium and kite are different than expected.\n') |
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56
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dwiddo /
average-minimum-distance
