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using reference results for orientation relationships

This commit is contained in:
Martin Diehl 2019-12-08 21:48:32 +01:00
parent 53cb59fc47
commit fa9ee6b116
13 changed files with 240 additions and 0 deletions
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5
python/tests/reference/Rotation/bcc_Bain.txt Normal file
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@ -0,0 +1,5 @@
1 header
1_Eulers 2_Eulers 3_Eulers
0.0 45.00000000000001 0.0
90.0 45.00000000000001 270.0
45.00000000000001 0.0 0.0

26
python/tests/reference/Rotation/bcc_GT.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
283.60440567265294 9.976439066337804 33.24637065555936
167.8261034151001 43.397849654402556 183.40022280897963
262.1156357053931 43.82007387041961 104.07478363123654
103.604405672653 9.976439066337804 213.24637065555936
347.8261034151001 43.39784965440255 3.400222808979685
82.11563570539313 43.82007387041961 284.0747836312365
76.39559432734703 9.976439066337806 326.75362934444064
192.17389658489986 43.397849654402556 176.59977719102034
97.88436429460687 43.82007387041961 255.92521636876344
256.395594327347 9.976439066337804 146.75362934444064
12.173896584899929 43.39784965440254 356.59977719102034
277.8843642946069 43.82007387041961 75.92521636876346
102.17389658489992 43.39784965440254 266.59977719102034
346.395594327347 9.976439066337804 56.75362934444064
7.884364294606862 43.82007387041961 345.9252163687635
282.17389658489986 43.39784965440254 86.59977719102032
166.39559432734703 9.976439066337804 236.75362934444058
187.88436429460683 43.82007387041961 165.92521636876344
257.8261034151001 43.39784965440255 93.40022280897969
13.604405672652977 9.976439066337804 303.24637065555936
352.1156357053931 43.82007387041961 14.074783631236542
77.82610341510008 43.397849654402556 273.4002228089796
193.60440567265297 9.976439066337806 123.24637065555939
153.65751914298576 65.6559553854118 185.90444335627936

26
python/tests/reference/Rotation/bcc_GT_prime.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
303.24637065555936 9.976439066337804 13.604405672652977
165.92521636876344 43.82007387041961 187.88436429460683
266.59977719102034 43.39784965440254 102.17389658489992
123.24637065555939 9.976439066337804 193.604405672653
345.9252163687635 43.82007387041961 7.884364294606862
86.59977719102032 43.39784965440254 282.17389658489986
56.75362934444064 9.976439066337804 346.395594327347
194.07478363123653 43.82007387041961 172.11563570539317
93.40022280897969 43.39784965440255 257.8261034151001
236.75362934444058 9.976439066337804 166.39559432734697
14.074783631236542 43.82007387041961 352.1156357053931
273.4002228089796 43.397849654402556 77.82610341510008
104.07478363123654 43.82007387041961 262.1156357053931
326.75362934444064 9.976439066337806 76.39559432734703
3.400222808979685 43.39784965440255 347.8261034151001
284.0747836312365 43.82007387041961 82.11563570539313
146.75362934444064 9.976439066337804 256.395594327347
183.40022280897963 43.397849654402556 167.8261034151001
255.92521636876344 43.82007387041961 97.88436429460687
33.24637065555936 9.976439066337804 283.60440567265294
26.291675350407385 65.60048732963618 354.34378938496315
75.92521636876346 43.82007387041961 277.8843642946069
213.24637065555936 9.976439066337804 103.604405672653
176.59977719102034 43.397849654402556 192.17389658489986

26
python/tests/reference/Rotation/bcc_KS.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
335.7965716606702 10.528779365509317 65.79657166067024
228.77270547567446 80.40593177313953 85.64260312151849
131.22729452432552 80.40593177313954 4.357396878481506
24.20342833932977 10.52877936550932 24.20342833932976
221.95489158457983 85.70366403943002 80.37863910890589
138.04510841542015 85.70366403943004 9.621360891094124
131.22729452432552 80.40593177313953 94.35739687848151
24.203428339329765 10.52877936550932 114.20342833932976
221.95489158457983 85.70366403943004 170.37863910890587
138.04510841542015 85.70366403943004 99.62136089109411
335.7965716606702 10.52877936550932 155.79657166067025
228.77270547567448 80.40593177313954 175.6426031215185
335.7965716606702 10.52877936550932 335.7965716606702
228.77270547567448 80.40593177313954 355.6426031215185
131.2272945243255 80.40593177313954 274.35739687848144
24.203428339329747 10.52877936550932 294.2034283393298
221.95489158457985 85.70366403943004 350.3786391089059
138.04510841542015 85.70366403943004 279.6213608910941
41.95489158457986 94.29633596056998 9.621360891094133
318.04510841542015 94.29633596056996 80.37863910890589
155.79657166067025 169.4712206344907 24.203428339329754
48.77270547567448 99.59406822686046 4.357396878481504
311.2272945243255 99.59406822686046 85.64260312151852
204.20342833932975 169.4712206344907 65.79657166067024

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python/tests/reference/Rotation/bcc_NW.txt Normal file
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@ -0,0 +1,14 @@
1 header
1_Eulers 2_Eulers 3_Eulers
225.41555594321144 83.13253115922213 83.08266205989301
134.58444405678856 83.13253115922211 6.917337940107012
4.702125169424418e-15 9.735610317245317 45.0
134.58444405678856 83.13253115922213 276.91733794010696
225.4155559432114 83.13253115922213 353.082662059893
0.0 9.735610317245317 315.0
134.58444405678858 83.13253115922213 96.91733794010702
225.41555594321142 83.13253115922213 173.082662059893
0.0 9.735610317245317 135.0
260.40196970123213 45.81931182053556 283.6387072794765
260.40196970123213 45.81931182053556 283.6387072794765
180.0 99.73561031724535 225.0

14
python/tests/reference/Rotation/bcc_Pitsch.txt Normal file
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@ -0,0 +1,14 @@
1 header
1_Eulers 2_Eulers 3_Eulers
6.9173379401070045 83.13253115922213 44.58444405678856
45.0 89.99999999999999 279.7356103172453
166.36129272052352 45.819311820535574 279.59803029876787
83.08266205989301 83.13253115922213 225.41555594321144
256.3612927205235 45.819311820535574 189.59803029876787
315.0 90.0 9.735610317245369
186.917337940107 83.13253115922213 224.58444405678856
315.0 90.0 80.26438968275463
13.638707279476478 45.81931182053557 260.40196970123213
263.082662059893 83.13253115922213 45.415555943211444
103.63870727947646 45.819311820535574 170.40196970123213
224.99999999999997 90.0 170.26438968275465

5
python/tests/reference/Rotation/fcc_Bain.txt Normal file
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@ -0,0 +1,5 @@
1 header
1_Eulers 2_Eulers 3_Eulers
180.0 45.00000000000001 180.0
270.0 45.00000000000001 90.0
315.0 0.0 0.0

26
python/tests/reference/Rotation/fcc_GT.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
146.75362934444064 9.976439066337804 256.395594327347
356.59977719102034 43.39784965440254 12.173896584899929
75.92521636876346 43.82007387041961 277.8843642946069
326.75362934444064 9.976439066337806 76.39559432734703
176.59977719102034 43.397849654402556 192.17389658489986
255.92521636876344 43.82007387041961 97.88436429460687
213.24637065555936 9.976439066337804 103.604405672653
3.400222808979685 43.39784965440255 347.8261034151001
284.0747836312365 43.82007387041961 82.11563570539313
33.24637065555936 9.976439066337804 283.60440567265294
183.40022280897963 43.397849654402556 167.8261034151001
104.07478363123654 43.82007387041961 262.1156357053931
273.4002228089796 43.397849654402556 77.82610341510008
123.24637065555939 9.976439066337806 193.60440567265297
194.07478363123653 43.82007387041961 172.11563570539317
93.40022280897969 43.39784965440255 257.8261034151001
303.24637065555936 9.976439066337804 13.604405672652977
14.074783631236542 43.82007387041961 352.1156357053931
86.59977719102032 43.39784965440254 282.17389658489986
236.75362934444058 9.976439066337804 166.39559432734703
165.92521636876344 43.82007387041961 187.88436429460683
266.59977719102034 43.39784965440254 102.17389658489992
56.75362934444064 9.976439066337804 346.395594327347
354.0955566437206 65.6559553854118 26.342480857014277

26
python/tests/reference/Rotation/fcc_GT_prime.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
166.39559432734697 9.976439066337804 236.75362934444058
352.1156357053931 43.82007387041961 14.074783631236542
77.82610341510008 43.397849654402556 273.4002228089796
346.395594327347 9.976439066337804 56.75362934444064
172.11563570539317 43.82007387041961 194.07478363123653
257.8261034151001 43.39784965440255 93.40022280897969
193.604405672653 9.976439066337804 123.24637065555939
7.884364294606862 43.82007387041961 345.9252163687635
282.17389658489986 43.39784965440254 86.59977719102032
13.604405672652977 9.976439066337804 303.24637065555936
187.88436429460683 43.82007387041961 165.92521636876344
102.17389658489992 43.39784965440254 266.59977719102034
277.8843642946069 43.82007387041961 75.92521636876346
103.604405672653 9.976439066337804 213.24637065555936
192.17389658489986 43.397849654402556 176.59977719102034
97.88436429460687 43.82007387041961 255.92521636876344
283.60440567265294 9.976439066337804 33.24637065555936
12.173896584899929 43.39784965440254 356.59977719102034
82.11563570539313 43.82007387041961 284.0747836312365
256.395594327347 9.976439066337804 146.75362934444064
185.65621061503683 65.60048732963617 153.70832464959264
262.1156357053931 43.82007387041961 104.07478363123654
76.39559432734703 9.976439066337806 326.75362934444064
347.8261034151001 43.39784965440255 3.400222808979685

26
python/tests/reference/Rotation/fcc_KS.txt Normal file
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@ -0,0 +1,26 @@
1 header
1_Eulers 2_Eulers 3_Eulers
114.20342833932975 10.52877936550932 204.20342833932972
94.3573968784815 80.40593177313954 311.22729452432543
175.6426031215185 80.40593177313954 48.77270547567447
155.79657166067025 10.52877936550932 155.79657166067025
99.62136089109411 85.70366403943004 318.04510841542015
170.37863910890587 85.70366403943002 41.954891584579855
85.64260312151852 80.40593177313954 48.77270547567448
65.79657166067024 10.52877936550932 155.79657166067025
9.621360891094124 85.70366403943004 318.04510841542015
80.37863910890587 85.70366403943004 41.95489158457987
24.203428339329758 10.52877936550932 204.20342833932975
4.357396878481486 80.40593177313954 311.2272945243255
204.20342833932972 10.52877936550932 204.20342833932972
184.35739687848147 80.40593177313954 311.2272945243255
265.64260312151845 80.40593177313953 48.77270547567449
245.79657166067025 10.528779365509317 155.79657166067025
189.62136089109413 85.70366403943004 318.04510841542015
260.3786391089059 85.70366403943002 41.954891584579855
170.37863910890587 94.29633596056996 138.04510841542015
99.62136089109411 94.29633596056998 221.95489158457983
155.79657166067025 169.4712206344907 24.203428339329754
175.64260312151848 99.59406822686046 131.22729452432552
94.35739687848151 99.59406822686046 228.77270547567446
114.20342833932975 169.4712206344907 335.7965716606702

14
python/tests/reference/Rotation/fcc_NW.txt Normal file
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@ -0,0 +1,14 @@
1 header
1_Eulers 2_Eulers 3_Eulers
96.91733794010702 83.13253115922213 314.5844440567886
173.082662059893 83.13253115922211 45.41555594321143
135.0 9.735610317245317 180.0
263.082662059893 83.13253115922213 45.415555943211444
186.91733794010702 83.13253115922211 314.5844440567886
224.99999999999997 9.735610317245317 180.0
83.082662059893 83.13253115922213 45.415555943211444
6.917337940106983 83.13253115922211 314.5844440567886
45.0 9.73561031724532 180.0
256.36129272052347 45.81931182053556 279.59803029876775
256.36129272052347 45.81931182053556 279.59803029876775
315.0 99.73561031724536 0.0

14
python/tests/reference/Rotation/fcc_Pitsch.txt Normal file
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@ -0,0 +1,14 @@
1 header
1_Eulers 2_Eulers 3_Eulers
135.41555594321144 83.13253115922213 173.082662059893
260.26438968275465 90.0 135.0
260.40196970123213 45.81931182053557 13.638707279476478
314.5844440567886 83.13253115922213 96.91733794010702
350.40196970123213 45.81931182053557 283.6387072794765
170.26438968275465 90.0 224.99999999999997
315.4155559432114 83.13253115922213 353.08266205989304
99.73561031724536 90.0 225.0
279.59803029876787 45.819311820535574 166.36129272052352
134.58444405678856 83.13253115922213 276.91733794010696
9.598030298767851 45.819311820535574 76.36129272052355
9.735610317245369 90.0 315.0

18
python/tests/test_Rotation.py
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@ -1,6 +1,9 @@
import os
import pytest import pytest
import numpy as np import numpy as np
import damask
from damask import Rotation from damask import Rotation
from damask import Orientation from damask import Orientation
@ -11,6 +14,11 @@ def default():
"""A set of n random rotations.""" """A set of n random rotations."""
return [Rotation.fromRandom() for r in range(n)] return [Rotation.fromRandom() for r in range(n)]
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Rotation')
class TestRotation: class TestRotation:
@ -59,3 +67,13 @@ class TestRotation:
misorientation = ori.rotation.misorientation(ori2.rotation) misorientation = ori.rotation.misorientation(ori2.rotation)
assert misorientation.asAxisAngle(degrees=True)[3]<1.0e-5 assert misorientation.asAxisAngle(degrees=True)[3]<1.0e-5
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_relationship_reference(self,update,reference_dir,model,lattice):
reference = os.path.join(reference_dir,'{}_{}.txt'.format(lattice,model))
ori = Orientation(Rotation(),lattice)
eu = np.array([o.rotation.asEulers(degrees=True) for o in ori.relatedOrientations(model)])
if update:
table = damask.Table(eu,{'Eulers':(3,)})
table.to_ASCII(reference)
assert np.allclose(eu,damask.Table.from_ASCII(reference).get('Eulers'))