From 78a2941436dfcb0be765a9cca4a0d134882db58b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 21 Oct 2019 16:59:49 +0200 Subject: [PATCH 01/23] avoid numerical issues --- python/damask/orientation.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 85a5c1866..688a3fa3f 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -702,14 +702,14 @@ class Symmetry: v = np.array(vector,dtype=float) if proper: # check both improper ... theComponents = np.dot(basis['improper'],v) - inSST = np.all(theComponents >= 0.0) + inSST = np.all(np.around(theComponents,12) >= 0.0) if not inSST: # ... and proper SST - theComponents = np.dot(basis['proper'],v) - inSST = np.all(theComponents >= 0.0) + theComponents = np.dot(basis['proper'],v) + inSST = np.all(np.around(theComponents,12) >= 0.0) else: v[2] = abs(v[2]) # z component projects identical theComponents = np.dot(basis['improper'],v) # for positive and negative values - inSST = np.all(theComponents >= 0.0) + inSST = np.all(np.around(theComponents,12) >= 0.0) if color: # have to return color array if inSST: From ecc51e34d3bf19d838f51079fda39270f826ae13 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 21 Oct 2019 22:44:12 +0200 Subject: [PATCH 02/23] rouding should affect color calculation avoid NaN in math.power(x,0.5). math.power(-0.0,0.5) is ok --- python/damask/orientation.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 688a3fa3f..dc851b35c 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -701,15 +701,15 @@ class Symmetry: v = np.array(vector,dtype=float) if proper: # check both improper ... - theComponents = np.dot(basis['improper'],v) - inSST = np.all(np.around(theComponents,12) >= 0.0) + theComponents = np.around(np.dot(basis['improper'],v),12) + inSST = np.all(theComponents >= 0.0) if not inSST: # ... and proper SST - theComponents = np.dot(basis['proper'],v) - inSST = np.all(np.around(theComponents,12) >= 0.0) + theComponents = np.around(np.dot(basis['proper'],v),12) + inSST = np.all(theComponents >= 0.0) else: v[2] = abs(v[2]) # z component projects identical - theComponents = np.dot(basis['improper'],v) # for positive and negative values - inSST = np.all(np.around(theComponents,12) >= 0.0) + theComponents = np.around(np.dot(basis['improper'],v),12) # for positive and negative values + inSST = np.all(theComponents >= 0.0) if color: # have to return color array if inSST: From 9489c04ccbfe3ec88e6502c14d1e4bb025a388d1 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 21 Oct 2019 23:02:31 +0200 Subject: [PATCH 03/23] less confusing --- python/damask/orientation.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/python/damask/orientation.py b/python/damask/orientation.py index dc851b35c..97464f9e6 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -1046,13 +1046,13 @@ class Lattice: for miller in np.hstack((relationship['planes'],relationship['directions'])): myPlane = miller[myPlane_id]/ np.linalg.norm(miller[myPlane_id]) myDir = miller[myDir_id]/ np.linalg.norm(miller[myDir_id]) - myMatrix = np.array([myDir,np.cross(myPlane,myDir),myPlane]).T + myMatrix = np.array([myDir,np.cross(myPlane,myDir),myPlane]) otherPlane = miller[otherPlane_id]/ np.linalg.norm(miller[otherPlane_id]) otherDir = miller[otherDir_id]/ np.linalg.norm(miller[otherDir_id]) - otherMatrix = np.array([otherDir,np.cross(otherPlane,otherDir),otherPlane]).T + otherMatrix = np.array([otherDir,np.cross(otherPlane,otherDir),otherPlane]) - r['rotations'].append(Rotation.fromMatrix(np.dot(otherMatrix,myMatrix.T))) + r['rotations'].append(Rotation.fromMatrix(np.dot(otherMatrix.T,myMatrix))) return r From 5e7f9a223b55f9f8c56ba6fa35a0c46ae5db5b68 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 21 Oct 2019 23:17:58 +0200 Subject: [PATCH 04/23] should be a passive rotation --- python/damask/orientation.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 97464f9e6..fc601b608 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -1144,7 +1144,7 @@ class Orientation: def relatedOrientations(self,model): """List of orientations related by the given orientation relationship.""" r = self.lattice.relationOperations(model) - return [self.__class__(self.rotation*o,r['lattice']) for o in r['rotations']] + return [self.__class__(o*self.rotation,r['lattice']) for o in r['rotations']] def reduced(self): """Transform orientation to fall into fundamental zone according to symmetry.""" From 53cb59fc474134d9aeedde79f0fe041267ef70c6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 8 Dec 2019 21:29:26 +0100 Subject: [PATCH 05/23] use pytest instead of hand-written test class --- .gitlab-ci.yml | 7 ------- python/damask/orientation.py | 2 +- python/tests/test_Rotation.py | 18 ++++++++++++------ 3 files changed, 13 insertions(+), 14 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 6e82561c5..d4c6923d9 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -115,13 +115,6 @@ Pytest: - release ################################################################################################### -OrientationRelationship: - stage: preprocessing - script: OrientationRelationship/test.py - except: - - master - - release - Pre_SeedGeneration: stage: preprocessing script: PreProcessing_SeedGeneration/test.py diff --git a/python/damask/orientation.py b/python/damask/orientation.py index fc601b608..65318f169 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -1025,7 +1025,7 @@ class Lattice: https://doi.org/10.1016/j.actamat.2004.11.021 """ - models={'KS':self.KS, 'GT':self.GT, "GT'":self.GTprime, + models={'KS':self.KS, 'GT':self.GT, 'GT_prime':self.GTprime, 'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain} try: relationship = models[model] diff --git a/python/tests/test_Rotation.py b/python/tests/test_Rotation.py index 72956c013..79d674bcd 100644 --- a/python/tests/test_Rotation.py +++ b/python/tests/test_Rotation.py @@ -2,6 +2,7 @@ import pytest import numpy as np from damask import Rotation +from damask import Orientation n = 1000 @@ -18,38 +19,43 @@ class TestRotation: assert np.allclose(rot.asQuaternion(), Rotation.fromEulers(rot.asEulers()).asQuaternion()) - def test_AxisAngle(self,default): for rot in default: assert np.allclose(rot.asEulers(), Rotation.fromAxisAngle(rot.asAxisAngle()).asEulers()) - def test_Matrix(self,default): for rot in default: assert np.allclose(rot.asAxisAngle(), Rotation.fromMatrix(rot.asMatrix()).asAxisAngle()) - def test_Rodriques(self,default): for rot in default: assert np.allclose(rot.asMatrix(), Rotation.fromRodrigues(rot.asRodrigues()).asMatrix()) - def test_Homochoric(self,default): for rot in default: assert np.allclose(rot.asRodrigues(), Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues()) - def test_Cubochoric(self,default): for rot in default: assert np.allclose(rot.asHomochoric(), Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric()) - def test_Quaternion(self,default): for rot in default: assert np.allclose(rot.asCubochoric(), Rotation.fromQuaternion(rot.asQuaternion()).asCubochoric()) + + + @pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch']) + @pytest.mark.parametrize('lattice',['fcc','bcc']) + def test_relationship_forward_backward(self,model,lattice): + ori = Orientation(Rotation.fromRandom(),lattice) + for i,r in enumerate(ori.relatedOrientations(model)): + ori2 = r.relatedOrientations(model)[i] + misorientation = ori.rotation.misorientation(ori2.rotation) + assert misorientation.asAxisAngle(degrees=True)[3]<1.0e-5 + From fa9ee6b11679f1ecd91027573c0167359bef6062 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 8 Dec 2019 21:48:32 +0100 Subject: [PATCH 06/23] using reference results for orientation relationships --- python/tests/reference/Rotation/bcc_Bain.txt | 5 ++++ python/tests/reference/Rotation/bcc_GT.txt | 26 +++++++++++++++++++ .../tests/reference/Rotation/bcc_GT_prime.txt | 26 +++++++++++++++++++ python/tests/reference/Rotation/bcc_KS.txt | 26 +++++++++++++++++++ python/tests/reference/Rotation/bcc_NW.txt | 14 ++++++++++ .../tests/reference/Rotation/bcc_Pitsch.txt | 14 ++++++++++ python/tests/reference/Rotation/fcc_Bain.txt | 5 ++++ python/tests/reference/Rotation/fcc_GT.txt | 26 +++++++++++++++++++ .../tests/reference/Rotation/fcc_GT_prime.txt | 26 +++++++++++++++++++ python/tests/reference/Rotation/fcc_KS.txt | 26 +++++++++++++++++++ python/tests/reference/Rotation/fcc_NW.txt | 14 ++++++++++ .../tests/reference/Rotation/fcc_Pitsch.txt | 14 ++++++++++ python/tests/test_Rotation.py | 18 +++++++++++++ 13 files changed, 240 insertions(+) create mode 100644 python/tests/reference/Rotation/bcc_Bain.txt create mode 100644 python/tests/reference/Rotation/bcc_GT.txt create mode 100644 python/tests/reference/Rotation/bcc_GT_prime.txt create mode 100644 python/tests/reference/Rotation/bcc_KS.txt create mode 100644 python/tests/reference/Rotation/bcc_NW.txt create mode 100644 python/tests/reference/Rotation/bcc_Pitsch.txt create mode 100644 python/tests/reference/Rotation/fcc_Bain.txt create mode 100644 python/tests/reference/Rotation/fcc_GT.txt create mode 100644 python/tests/reference/Rotation/fcc_GT_prime.txt create mode 100644 python/tests/reference/Rotation/fcc_KS.txt create mode 100644 python/tests/reference/Rotation/fcc_NW.txt create mode 100644 python/tests/reference/Rotation/fcc_Pitsch.txt diff --git a/python/tests/reference/Rotation/bcc_Bain.txt b/python/tests/reference/Rotation/bcc_Bain.txt new file mode 100644 index 000000000..e1675cd32 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_Bain.txt @@ -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 diff --git a/python/tests/reference/Rotation/bcc_GT.txt b/python/tests/reference/Rotation/bcc_GT.txt new file mode 100644 index 000000000..b4bfd5d8f --- /dev/null +++ b/python/tests/reference/Rotation/bcc_GT.txt @@ -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 diff --git a/python/tests/reference/Rotation/bcc_GT_prime.txt b/python/tests/reference/Rotation/bcc_GT_prime.txt new file mode 100644 index 000000000..73c3bb6b3 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_GT_prime.txt @@ -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 diff --git a/python/tests/reference/Rotation/bcc_KS.txt b/python/tests/reference/Rotation/bcc_KS.txt new file mode 100644 index 000000000..0add535bb --- /dev/null +++ b/python/tests/reference/Rotation/bcc_KS.txt @@ -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 diff --git a/python/tests/reference/Rotation/bcc_NW.txt b/python/tests/reference/Rotation/bcc_NW.txt new file mode 100644 index 000000000..8d3dfbe84 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_NW.txt @@ -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 diff --git a/python/tests/reference/Rotation/bcc_Pitsch.txt b/python/tests/reference/Rotation/bcc_Pitsch.txt new file mode 100644 index 000000000..dc9926ca1 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_Pitsch.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_Bain.txt b/python/tests/reference/Rotation/fcc_Bain.txt new file mode 100644 index 000000000..2c12eecc9 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_Bain.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_GT.txt b/python/tests/reference/Rotation/fcc_GT.txt new file mode 100644 index 000000000..e695d0d6f --- /dev/null +++ b/python/tests/reference/Rotation/fcc_GT.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_GT_prime.txt b/python/tests/reference/Rotation/fcc_GT_prime.txt new file mode 100644 index 000000000..7df7cb6c1 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_GT_prime.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_KS.txt b/python/tests/reference/Rotation/fcc_KS.txt new file mode 100644 index 000000000..3a6e30358 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_KS.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_NW.txt b/python/tests/reference/Rotation/fcc_NW.txt new file mode 100644 index 000000000..bf3631db0 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_NW.txt @@ -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 diff --git a/python/tests/reference/Rotation/fcc_Pitsch.txt b/python/tests/reference/Rotation/fcc_Pitsch.txt new file mode 100644 index 000000000..a2369f0a4 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_Pitsch.txt @@ -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 diff --git a/python/tests/test_Rotation.py b/python/tests/test_Rotation.py index 79d674bcd..a4dc7c61d 100644 --- a/python/tests/test_Rotation.py +++ b/python/tests/test_Rotation.py @@ -1,6 +1,9 @@ +import os + import pytest import numpy as np +import damask from damask import Rotation from damask import Orientation @@ -11,6 +14,11 @@ def default(): """A set of n random rotations.""" 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: @@ -59,3 +67,13 @@ class TestRotation: misorientation = ori.rotation.misorientation(ori2.rotation) 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')) From 5a9173ccf446b80dec3fdc755b8e035a77a347b4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 8 Dec 2019 21:57:07 +0100 Subject: [PATCH 07/23] might simplify plotting in MTEX --- python/tests/reference/Rotation/bcc_Bain.txt | 8 +-- python/tests/reference/Rotation/bcc_GT.txt | 50 +++++++++---------- .../tests/reference/Rotation/bcc_GT_prime.txt | 50 +++++++++---------- python/tests/reference/Rotation/bcc_KS.txt | 50 +++++++++---------- python/tests/reference/Rotation/bcc_NW.txt | 26 +++++----- .../tests/reference/Rotation/bcc_Pitsch.txt | 26 +++++----- python/tests/reference/Rotation/fcc_Bain.txt | 8 +-- python/tests/reference/Rotation/fcc_GT.txt | 50 +++++++++---------- .../tests/reference/Rotation/fcc_GT_prime.txt | 50 +++++++++---------- python/tests/reference/Rotation/fcc_KS.txt | 50 +++++++++---------- python/tests/reference/Rotation/fcc_NW.txt | 26 +++++----- .../tests/reference/Rotation/fcc_Pitsch.txt | 26 +++++----- python/tests/test_Rotation.py | 2 + 13 files changed, 212 insertions(+), 210 deletions(-) diff --git a/python/tests/reference/Rotation/bcc_Bain.txt b/python/tests/reference/Rotation/bcc_Bain.txt index e1675cd32..e0bc4f6c7 100644 --- a/python/tests/reference/Rotation/bcc_Bain.txt +++ b/python/tests/reference/Rotation/bcc_Bain.txt @@ -1,5 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +0.0 45.00000000000001 0.0 1 1 +90.0 45.00000000000001 270.0 1 2 +45.00000000000001 0.0 0.0 1 3 diff --git a/python/tests/reference/Rotation/bcc_GT.txt b/python/tests/reference/Rotation/bcc_GT.txt index b4bfd5d8f..d1fe2e1c8 100644 --- a/python/tests/reference/Rotation/bcc_GT.txt +++ b/python/tests/reference/Rotation/bcc_GT.txt @@ -1,26 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +283.60440567265294 9.976439066337804 33.24637065555936 1 1 +167.8261034151001 43.397849654402556 183.40022280897963 1 2 +262.1156357053931 43.82007387041961 104.07478363123654 1 3 +103.604405672653 9.976439066337804 213.24637065555936 1 4 +347.8261034151001 43.39784965440255 3.400222808979685 1 5 +82.11563570539313 43.82007387041961 284.0747836312365 1 6 +76.39559432734703 9.976439066337806 326.75362934444064 1 7 +192.17389658489986 43.397849654402556 176.59977719102034 1 8 +97.88436429460687 43.82007387041961 255.92521636876344 1 9 +256.395594327347 9.976439066337804 146.75362934444064 1 10 +12.173896584899929 43.39784965440254 356.59977719102034 1 11 +277.8843642946069 43.82007387041961 75.92521636876346 1 12 +102.17389658489992 43.39784965440254 266.59977719102034 1 13 +346.395594327347 9.976439066337804 56.75362934444064 1 14 +7.884364294606862 43.82007387041961 345.9252163687635 1 15 +282.17389658489986 43.39784965440254 86.59977719102032 1 16 +166.39559432734703 9.976439066337804 236.75362934444058 1 17 +187.88436429460683 43.82007387041961 165.92521636876344 1 18 +257.8261034151001 43.39784965440255 93.40022280897969 1 19 +13.604405672652977 9.976439066337804 303.24637065555936 1 20 +352.1156357053931 43.82007387041961 14.074783631236542 1 21 +77.82610341510008 43.397849654402556 273.4002228089796 1 22 +193.60440567265297 9.976439066337806 123.24637065555939 1 23 +153.65751914298576 65.6559553854118 185.90444335627936 1 24 diff --git a/python/tests/reference/Rotation/bcc_GT_prime.txt b/python/tests/reference/Rotation/bcc_GT_prime.txt index 73c3bb6b3..42f32bcbb 100644 --- a/python/tests/reference/Rotation/bcc_GT_prime.txt +++ b/python/tests/reference/Rotation/bcc_GT_prime.txt @@ -1,26 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +303.24637065555936 9.976439066337804 13.604405672652977 1 1 +165.92521636876344 43.82007387041961 187.88436429460683 1 2 +266.59977719102034 43.39784965440254 102.17389658489992 1 3 +123.24637065555939 9.976439066337804 193.604405672653 1 4 +345.9252163687635 43.82007387041961 7.884364294606862 1 5 +86.59977719102032 43.39784965440254 282.17389658489986 1 6 +56.75362934444064 9.976439066337804 346.395594327347 1 7 +194.07478363123653 43.82007387041961 172.11563570539317 1 8 +93.40022280897969 43.39784965440255 257.8261034151001 1 9 +236.75362934444058 9.976439066337804 166.39559432734697 1 10 +14.074783631236542 43.82007387041961 352.1156357053931 1 11 +273.4002228089796 43.397849654402556 77.82610341510008 1 12 +104.07478363123654 43.82007387041961 262.1156357053931 1 13 +326.75362934444064 9.976439066337806 76.39559432734703 1 14 +3.400222808979685 43.39784965440255 347.8261034151001 1 15 +284.0747836312365 43.82007387041961 82.11563570539313 1 16 +146.75362934444064 9.976439066337804 256.395594327347 1 17 +183.40022280897963 43.397849654402556 167.8261034151001 1 18 +255.92521636876344 43.82007387041961 97.88436429460687 1 19 +33.24637065555936 9.976439066337804 283.60440567265294 1 20 +26.291675350407385 65.60048732963618 354.34378938496315 1 21 +75.92521636876346 43.82007387041961 277.8843642946069 1 22 +213.24637065555936 9.976439066337804 103.604405672653 1 23 +176.59977719102034 43.397849654402556 192.17389658489986 1 24 diff --git a/python/tests/reference/Rotation/bcc_KS.txt b/python/tests/reference/Rotation/bcc_KS.txt index 0add535bb..34b393358 100644 --- a/python/tests/reference/Rotation/bcc_KS.txt +++ b/python/tests/reference/Rotation/bcc_KS.txt @@ -1,26 +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 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85.70366403943004 279.6213608910941 1 18 +41.95489158457986 94.29633596056998 9.621360891094133 1 19 +318.04510841542015 94.29633596056996 80.37863910890589 1 20 +155.79657166067025 169.4712206344907 24.203428339329754 1 21 +48.77270547567448 99.59406822686046 4.357396878481504 1 22 +311.2272945243255 99.59406822686046 85.64260312151852 1 23 +204.20342833932975 169.4712206344907 65.79657166067024 1 24 diff --git a/python/tests/reference/Rotation/bcc_NW.txt b/python/tests/reference/Rotation/bcc_NW.txt index 8d3dfbe84..76e7c6182 100644 --- a/python/tests/reference/Rotation/bcc_NW.txt +++ b/python/tests/reference/Rotation/bcc_NW.txt @@ -1,14 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +225.41555594321144 83.13253115922213 83.08266205989301 1 1 +134.58444405678856 83.13253115922211 6.917337940107012 1 2 +4.702125169424418e-15 9.735610317245317 45.0 1 3 +134.58444405678856 83.13253115922213 276.91733794010696 1 4 +225.4155559432114 83.13253115922213 353.082662059893 1 5 +0.0 9.735610317245317 315.0 1 6 +134.58444405678858 83.13253115922213 96.91733794010702 1 7 +225.41555594321142 83.13253115922213 173.082662059893 1 8 +0.0 9.735610317245317 135.0 1 9 +260.40196970123213 45.81931182053556 283.6387072794765 1 10 +260.40196970123213 45.81931182053556 283.6387072794765 1 11 +180.0 99.73561031724535 225.0 1 12 diff --git a/python/tests/reference/Rotation/bcc_Pitsch.txt b/python/tests/reference/Rotation/bcc_Pitsch.txt index dc9926ca1..ef28bbb4d 100644 --- a/python/tests/reference/Rotation/bcc_Pitsch.txt +++ b/python/tests/reference/Rotation/bcc_Pitsch.txt @@ -1,14 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +6.9173379401070045 83.13253115922213 44.58444405678856 1 1 +45.0 89.99999999999999 279.7356103172453 1 2 +166.36129272052352 45.819311820535574 279.59803029876787 1 3 +83.08266205989301 83.13253115922213 225.41555594321144 1 4 +256.3612927205235 45.819311820535574 189.59803029876787 1 5 +315.0 90.0 9.735610317245369 1 6 +186.917337940107 83.13253115922213 224.58444405678856 1 7 +315.0 90.0 80.26438968275463 1 8 +13.638707279476478 45.81931182053557 260.40196970123213 1 9 +263.082662059893 83.13253115922213 45.415555943211444 1 10 +103.63870727947646 45.819311820535574 170.40196970123213 1 11 +224.99999999999997 90.0 170.26438968275465 1 12 diff --git a/python/tests/reference/Rotation/fcc_Bain.txt b/python/tests/reference/Rotation/fcc_Bain.txt index 2c12eecc9..876cf3888 100644 --- a/python/tests/reference/Rotation/fcc_Bain.txt +++ b/python/tests/reference/Rotation/fcc_Bain.txt @@ -1,5 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +180.0 45.00000000000001 180.0 1 1 +270.0 45.00000000000001 90.0 1 2 +315.0 0.0 0.0 1 3 diff --git a/python/tests/reference/Rotation/fcc_GT.txt b/python/tests/reference/Rotation/fcc_GT.txt index e695d0d6f..b91a80c46 100644 --- a/python/tests/reference/Rotation/fcc_GT.txt +++ b/python/tests/reference/Rotation/fcc_GT.txt @@ -1,26 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +146.75362934444064 9.976439066337804 256.395594327347 1 1 +356.59977719102034 43.39784965440254 12.173896584899929 1 2 +75.92521636876346 43.82007387041961 277.8843642946069 1 3 +326.75362934444064 9.976439066337806 76.39559432734703 1 4 +176.59977719102034 43.397849654402556 192.17389658489986 1 5 +255.92521636876344 43.82007387041961 97.88436429460687 1 6 +213.24637065555936 9.976439066337804 103.604405672653 1 7 +3.400222808979685 43.39784965440255 347.8261034151001 1 8 +284.0747836312365 43.82007387041961 82.11563570539313 1 9 +33.24637065555936 9.976439066337804 283.60440567265294 1 10 +183.40022280897963 43.397849654402556 167.8261034151001 1 11 +104.07478363123654 43.82007387041961 262.1156357053931 1 12 +273.4002228089796 43.397849654402556 77.82610341510008 1 13 +123.24637065555939 9.976439066337806 193.60440567265297 1 14 +194.07478363123653 43.82007387041961 172.11563570539317 1 15 +93.40022280897969 43.39784965440255 257.8261034151001 1 16 +303.24637065555936 9.976439066337804 13.604405672652977 1 17 +14.074783631236542 43.82007387041961 352.1156357053931 1 18 +86.59977719102032 43.39784965440254 282.17389658489986 1 19 +236.75362934444058 9.976439066337804 166.39559432734703 1 20 +165.92521636876344 43.82007387041961 187.88436429460683 1 21 +266.59977719102034 43.39784965440254 102.17389658489992 1 22 +56.75362934444064 9.976439066337804 346.395594327347 1 23 +354.0955566437206 65.6559553854118 26.342480857014277 1 24 diff --git a/python/tests/reference/Rotation/fcc_GT_prime.txt b/python/tests/reference/Rotation/fcc_GT_prime.txt index 7df7cb6c1..1d6f171c4 100644 --- a/python/tests/reference/Rotation/fcc_GT_prime.txt +++ b/python/tests/reference/Rotation/fcc_GT_prime.txt @@ -1,26 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +166.39559432734697 9.976439066337804 236.75362934444058 1 1 +352.1156357053931 43.82007387041961 14.074783631236542 1 2 +77.82610341510008 43.397849654402556 273.4002228089796 1 3 +346.395594327347 9.976439066337804 56.75362934444064 1 4 +172.11563570539317 43.82007387041961 194.07478363123653 1 5 +257.8261034151001 43.39784965440255 93.40022280897969 1 6 +193.604405672653 9.976439066337804 123.24637065555939 1 7 +7.884364294606862 43.82007387041961 345.9252163687635 1 8 +282.17389658489986 43.39784965440254 86.59977719102032 1 9 +13.604405672652977 9.976439066337804 303.24637065555936 1 10 +187.88436429460683 43.82007387041961 165.92521636876344 1 11 +102.17389658489992 43.39784965440254 266.59977719102034 1 12 +277.8843642946069 43.82007387041961 75.92521636876346 1 13 +103.604405672653 9.976439066337804 213.24637065555936 1 14 +192.17389658489986 43.397849654402556 176.59977719102034 1 15 +97.88436429460687 43.82007387041961 255.92521636876344 1 16 +283.60440567265294 9.976439066337804 33.24637065555936 1 17 +12.173896584899929 43.39784965440254 356.59977719102034 1 18 +82.11563570539313 43.82007387041961 284.0747836312365 1 19 +256.395594327347 9.976439066337804 146.75362934444064 1 20 +185.65621061503683 65.60048732963617 153.70832464959264 1 21 +262.1156357053931 43.82007387041961 104.07478363123654 1 22 +76.39559432734703 9.976439066337806 326.75362934444064 1 23 +347.8261034151001 43.39784965440255 3.400222808979685 1 24 diff --git a/python/tests/reference/Rotation/fcc_KS.txt b/python/tests/reference/Rotation/fcc_KS.txt index 3a6e30358..93fdcf07e 100644 --- a/python/tests/reference/Rotation/fcc_KS.txt +++ b/python/tests/reference/Rotation/fcc_KS.txt @@ -1,26 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +114.20342833932975 10.52877936550932 204.20342833932972 1 1 +94.3573968784815 80.40593177313954 311.22729452432543 1 2 +175.6426031215185 80.40593177313954 48.77270547567447 1 3 +155.79657166067025 10.52877936550932 155.79657166067025 1 4 +99.62136089109411 85.70366403943004 318.04510841542015 1 5 +170.37863910890587 85.70366403943002 41.954891584579855 1 6 +85.64260312151852 80.40593177313954 48.77270547567448 1 7 +65.79657166067024 10.52877936550932 155.79657166067025 1 8 +9.621360891094124 85.70366403943004 318.04510841542015 1 9 +80.37863910890587 85.70366403943004 41.95489158457987 1 10 +24.203428339329758 10.52877936550932 204.20342833932975 1 11 +4.357396878481486 80.40593177313954 311.2272945243255 1 12 +204.20342833932972 10.52877936550932 204.20342833932972 1 13 +184.35739687848147 80.40593177313954 311.2272945243255 1 14 +265.64260312151845 80.40593177313953 48.77270547567449 1 15 +245.79657166067025 10.528779365509317 155.79657166067025 1 16 +189.62136089109413 85.70366403943004 318.04510841542015 1 17 +260.3786391089059 85.70366403943002 41.954891584579855 1 18 +170.37863910890587 94.29633596056996 138.04510841542015 1 19 +99.62136089109411 94.29633596056998 221.95489158457983 1 20 +155.79657166067025 169.4712206344907 24.203428339329754 1 21 +175.64260312151848 99.59406822686046 131.22729452432552 1 22 +94.35739687848151 99.59406822686046 228.77270547567446 1 23 +114.20342833932975 169.4712206344907 335.7965716606702 1 24 diff --git a/python/tests/reference/Rotation/fcc_NW.txt b/python/tests/reference/Rotation/fcc_NW.txt index bf3631db0..e041ec0b0 100644 --- a/python/tests/reference/Rotation/fcc_NW.txt +++ b/python/tests/reference/Rotation/fcc_NW.txt @@ -1,14 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +96.91733794010702 83.13253115922213 314.5844440567886 1 1 +173.082662059893 83.13253115922211 45.41555594321143 1 2 +135.0 9.735610317245317 180.0 1 3 +263.082662059893 83.13253115922213 45.415555943211444 1 4 +186.91733794010702 83.13253115922211 314.5844440567886 1 5 +224.99999999999997 9.735610317245317 180.0 1 6 +83.082662059893 83.13253115922213 45.415555943211444 1 7 +6.917337940106983 83.13253115922211 314.5844440567886 1 8 +45.0 9.73561031724532 180.0 1 9 +256.36129272052347 45.81931182053556 279.59803029876775 1 10 +256.36129272052347 45.81931182053556 279.59803029876775 1 11 +315.0 99.73561031724536 0.0 1 12 diff --git a/python/tests/reference/Rotation/fcc_Pitsch.txt b/python/tests/reference/Rotation/fcc_Pitsch.txt index a2369f0a4..aa0c32365 100644 --- a/python/tests/reference/Rotation/fcc_Pitsch.txt +++ b/python/tests/reference/Rotation/fcc_Pitsch.txt @@ -1,14 +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 +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +135.41555594321144 83.13253115922213 173.082662059893 1 1 +260.26438968275465 90.0 135.0 1 2 +260.40196970123213 45.81931182053557 13.638707279476478 1 3 +314.5844440567886 83.13253115922213 96.91733794010702 1 4 +350.40196970123213 45.81931182053557 283.6387072794765 1 5 +170.26438968275465 90.0 224.99999999999997 1 6 +315.4155559432114 83.13253115922213 353.08266205989304 1 7 +99.73561031724536 90.0 225.0 1 8 +279.59803029876787 45.819311820535574 166.36129272052352 1 9 +134.58444405678856 83.13253115922213 276.91733794010696 1 10 +9.598030298767851 45.819311820535574 76.36129272052355 1 11 +9.735610317245369 90.0 315.0 1 12 diff --git a/python/tests/test_Rotation.py b/python/tests/test_Rotation.py index a4dc7c61d..08d543554 100644 --- a/python/tests/test_Rotation.py +++ b/python/tests/test_Rotation.py @@ -74,6 +74,8 @@ class TestRotation: ori = Orientation(Rotation(),lattice) eu = np.array([o.rotation.asEulers(degrees=True) for o in ori.relatedOrientations(model)]) if update: + coords = np.array([(1,i+1) for i,x in enumerate(eu)]) table = damask.Table(eu,{'Eulers':(3,)}) + table.add('pos',coords) table.to_ASCII(reference) assert np.allclose(eu,damask.Table.from_ASCII(reference).get('Eulers')) From ca06c1d3a294228d70235f3cfd7bd9e15360da60 Mon Sep 17 00:00:00 2001 From: "f.basile" Date: Tue, 10 Dec 2019 13:49:33 +0100 Subject: [PATCH 08/23] Fix bugs in relatedOperations for NW,GT and GTprime. --- python/damask/orientation.py | 6 +- python/tests/reference/Rotation/1_BCC.pdf | Bin 0 -> 44551 bytes python/tests/reference/Rotation/1_FCC.pdf | Bin 0 -> 44391 bytes python/tests/reference/Rotation/2_BCC.pdf | Bin 0 -> 43118 bytes python/tests/reference/Rotation/2_FCC.pdf | Bin 0 -> 43107 bytes .../tests/reference/Rotation/PoleFigures_OR.m | 99 ++++++++++++++++++ python/tests/reference/Rotation/bcc_GT.txt | 2 +- .../tests/reference/Rotation/bcc_GT_prime.txt | 2 +- python/tests/reference/Rotation/bcc_NW.txt | 2 +- python/tests/reference/Rotation/fcc_GT.txt | 2 +- .../tests/reference/Rotation/fcc_GT_prime.txt | 2 +- python/tests/reference/Rotation/fcc_NW.txt | 2 +- 12 files changed, 108 insertions(+), 9 deletions(-) create mode 100644 python/tests/reference/Rotation/1_BCC.pdf create mode 100644 python/tests/reference/Rotation/1_FCC.pdf create mode 100644 python/tests/reference/Rotation/2_BCC.pdf create mode 100644 python/tests/reference/Rotation/2_FCC.pdf create mode 100644 python/tests/reference/Rotation/PoleFigures_OR.m diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 65318f169..1b08d2937 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -875,7 +875,7 @@ class Lattice: [[ 17, 12, 5],[ 17, 7, 17]], [[ 5, 17, 12],[ 17, 17, 7]], [[ 12, -5,-17],[ 7,-17,-17]], - [[-17,-12, 5],[-17, 7, 17]]],dtype='float')} + [[-17,-12, 5],[-17,-7, 17]]],dtype='float')} # Greninger--Troiano' orientation relationship for fcc <-> bcc transformation # from Y. He et al., Journal of Applied Crystallography 39:72-81, 2006 @@ -901,7 +901,7 @@ class Lattice: [[-17,-17, 7],[-17, -5, 12]], [[ 7,-17,-17],[ 12,-17, -5]], [[ 17, -7,-17],[ 5, -12,-17]], - [[ 17,-17, 7],[ 17, -5,-12]], + [[ 17,-17, -7],[ 17, -5,-12]], [[ -7, 17,-17],[-12, 17, -5]], [[-17, 7,-17],[ -5, 12,-17]], [[-17, 17, -7],[-17, 5,-12]]],dtype='float'), @@ -957,7 +957,7 @@ class Lattice: [[ 2, 1, -1],[ 0, -1, 1]], [[ -1, -2, -1],[ 0, -1, 1]], [[ -1, 1, 2],[ 0, -1, 1]], - [[ -1, 2, 1],[ 0, -1, 1]], + [[ 2, -1, 1],[ 0, -1, 1]], #It is wrong in the paper, but matrix is correct [[ -1, 2, 1],[ 0, -1, 1]], [[ -1, -1, -2],[ 0, -1, 1]]],dtype='float')} diff --git a/python/tests/reference/Rotation/1_BCC.pdf b/python/tests/reference/Rotation/1_BCC.pdf new file mode 100644 index 0000000000000000000000000000000000000000..fe22f6a2e36d180c423a1902b1a7409f866ff324 GIT binary patch literal 44551 zcma&NWmF!)(lv@Z!QsK(-QC^YA;<$kg1fs1cXxM(;O-XO-Gc`AOLETp-tYTy*Sddt 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all + +%% Specify Crystal and Specimen Symmetries + +% crystal symmetry +CS_bcc = {... + crystalSymmetry('m-3m', [2.8665 2.8665 2.8665], 'mineral', 'Iron-alpha', 'color', 'light blue'),... + crystalSymmetry('m-3m', [1 1 1], 'color', 'light blue')}; + +CS_fcc = {... + crystalSymmetry('m-3m', [3.662 3.662 3.662], 'mineral', 'Iron', 'color', 'light blue'),... + crystalSymmetry('m-3m', [1 1 1], 'color', 'light blue')}; + +% plotting convention +setMTEXpref('xAxisDirection','north'); +setMTEXpref('zAxisDirection','outOfPlane'); + +%% path to files +pname = 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed + +% which files to be imported +fname1 = [pname '\bcc_Bain.txt']; fname2 = [pname '\bcc_GT.txt']; fname3 = [pname '\bcc_GT_prime.txt']; +fname4 = [pname '\bcc_KS.txt']; fname5 = [pname '\bcc_NW.txt']; fname6 = [pname '\bcc_Pitsch.txt']; +fname7 = [pname '\fcc_Bain.txt']; fname8 = [pname '\fcc_GT.txt']; fname9 = [pname '\fcc_GT_prime.txt']; +fname10 = [pname '\fcc_KS.txt']; fname11 = [pname '\fcc_NW.txt']; fname12 = [pname '\fcc_Pitsch.txt']; + + +%% Import the Data + +% create an EBSD variable containing the data +ebsd1 = loadEBSD(fname1,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd2 = loadEBSD(fname2,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd3 = loadEBSD(fname3,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd4 = loadEBSD(fname4,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd5 = loadEBSD(fname5,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd6 = loadEBSD(fname6,CS_bcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + +ebsd7 = loadEBSD(fname7,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd8 = loadEBSD(fname8,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd9 = loadEBSD(fname9,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd10 = loadEBSD(fname10,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd11 = loadEBSD(fname11,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); +ebsd12 = loadEBSD(fname12,CS_fcc,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + +%% Plot Data 1stpart_bcc +h1 = [Miller(1,0,0,ebsd1.CS),Miller(1,1,0,ebsd1.CS),Miller(1,1,1,ebsd1.CS)]; % 3 pole figures +plotPDF(ebsd1.orientations,h1,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','r','DisplayName','BCC-Bain') +hold on +plotPDF(ebsd2.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','b','DisplayName','BCC-GT') +plotPDF(ebsd3.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','g','DisplayName','BCC-GT_Prime') +legend('show','location','southoutside') +cd 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed +orient('landscape') +print('-bestfit','1_BCC.pdf','-dpdf') + +%% Plot Data 2nd part_bcc +close +plotPDF(ebsd4.orientations,h1,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','w','DisplayName','BCC-KS') +hold on +plotPDF(ebsd5.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','m','DisplayName','BCC-NW') +plotPDF(ebsd6.orientations,h1,'MarkerSize',5,'MarkerColor','y','MarkerEdgeColor','w','DisplayName','BCC-Pitsch') +legend('show','location','southoutside') +print('-bestfit','2_BCC.pdf','-dpdf') + +%% Plot Data 1stpart_fcc +close +h2 = [Miller(1,0,0,ebsd7.CS),Miller(1,1,0,ebsd7.CS),Miller(1,1,1,ebsd7.CS)]; % 3 pole figures +plotPDF(ebsd7.orientations,h2,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','r','DisplayName','FCC-Bain') +hold on +plotPDF(ebsd8.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','b','DisplayName','FCC-GT') +plotPDF(ebsd9.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','g','DisplayName','FCC-GT_Prime') +legend('show','location','southoutside') +print('-bestfit','1_FCC.pdf','-dpdf') + +%% Plot Data 2nd part_bcc +close +plotPDF(ebsd10.orientations,h2,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','w','DisplayName','FCC-KS') +hold on +plotPDF(ebsd11.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','m','DisplayName','FCC-NW') +plotPDF(ebsd12.orientations,h2,'MarkerSize',5,'MarkerColor','y','MarkerEdgeColor','w','DisplayName','FCC-Pitsch') +legend('show','location','southoutside') +print('-bestfit','2_FCC.pdf','-dpdf') +close + diff --git a/python/tests/reference/Rotation/bcc_GT.txt b/python/tests/reference/Rotation/bcc_GT.txt index d1fe2e1c8..5d5102698 100644 --- a/python/tests/reference/Rotation/bcc_GT.txt +++ b/python/tests/reference/Rotation/bcc_GT.txt @@ -23,4 +23,4 @@ 352.1156357053931 43.82007387041961 14.074783631236542 1 21 77.82610341510008 43.397849654402556 273.4002228089796 1 22 193.60440567265297 9.976439066337806 123.24637065555939 1 23 -153.65751914298576 65.6559553854118 185.90444335627936 1 24 +172.11563570539317 43.82007387041961 194.07478363123653 1 24 diff --git a/python/tests/reference/Rotation/bcc_GT_prime.txt b/python/tests/reference/Rotation/bcc_GT_prime.txt index 42f32bcbb..e398d3139 100644 --- a/python/tests/reference/Rotation/bcc_GT_prime.txt +++ b/python/tests/reference/Rotation/bcc_GT_prime.txt @@ -20,7 +20,7 @@ 183.40022280897963 43.397849654402556 167.8261034151001 1 18 255.92521636876344 43.82007387041961 97.88436429460687 1 19 33.24637065555936 9.976439066337804 283.60440567265294 1 20 -26.291675350407385 65.60048732963618 354.34378938496315 1 21 +356.59977719102034 43.39784965440254 12.173896584899929 1 21 75.92521636876346 43.82007387041961 277.8843642946069 1 22 213.24637065555936 9.976439066337804 103.604405672653 1 23 176.59977719102034 43.397849654402556 192.17389658489986 1 24 diff --git a/python/tests/reference/Rotation/bcc_NW.txt b/python/tests/reference/Rotation/bcc_NW.txt index 76e7c6182..754c69bba 100644 --- a/python/tests/reference/Rotation/bcc_NW.txt +++ b/python/tests/reference/Rotation/bcc_NW.txt @@ -9,6 +9,6 @@ 134.58444405678858 83.13253115922213 96.91733794010702 1 7 225.41555594321142 83.13253115922213 173.082662059893 1 8 0.0 9.735610317245317 135.0 1 9 -260.40196970123213 45.81931182053556 283.6387072794765 1 10 +99.59803029876785 45.81931182053557 166.36129272052355 1 10 260.40196970123213 45.81931182053556 283.6387072794765 1 11 180.0 99.73561031724535 225.0 1 12 diff --git a/python/tests/reference/Rotation/fcc_GT.txt b/python/tests/reference/Rotation/fcc_GT.txt index b91a80c46..cefae431a 100644 --- a/python/tests/reference/Rotation/fcc_GT.txt +++ b/python/tests/reference/Rotation/fcc_GT.txt @@ -23,4 +23,4 @@ 165.92521636876344 43.82007387041961 187.88436429460683 1 21 266.59977719102034 43.39784965440254 102.17389658489992 1 22 56.75362934444064 9.976439066337804 346.395594327347 1 23 -354.0955566437206 65.6559553854118 26.342480857014277 1 24 +345.9252163687635 43.82007387041961 7.884364294606862 1 24 diff --git a/python/tests/reference/Rotation/fcc_GT_prime.txt b/python/tests/reference/Rotation/fcc_GT_prime.txt index 1d6f171c4..44a9b25ec 100644 --- a/python/tests/reference/Rotation/fcc_GT_prime.txt +++ b/python/tests/reference/Rotation/fcc_GT_prime.txt @@ -20,7 +20,7 @@ 12.173896584899929 43.39784965440254 356.59977719102034 1 18 82.11563570539313 43.82007387041961 284.0747836312365 1 19 256.395594327347 9.976439066337804 146.75362934444064 1 20 -185.65621061503683 65.60048732963617 153.70832464959264 1 21 +167.8261034151001 43.397849654402556 183.40022280897963 1 21 262.1156357053931 43.82007387041961 104.07478363123654 1 22 76.39559432734703 9.976439066337806 326.75362934444064 1 23 347.8261034151001 43.39784965440255 3.400222808979685 1 24 diff --git a/python/tests/reference/Rotation/fcc_NW.txt b/python/tests/reference/Rotation/fcc_NW.txt index e041ec0b0..cc9c95a05 100644 --- a/python/tests/reference/Rotation/fcc_NW.txt +++ b/python/tests/reference/Rotation/fcc_NW.txt @@ -9,6 +9,6 @@ 83.082662059893 83.13253115922213 45.415555943211444 1 7 6.917337940106983 83.13253115922211 314.5844440567886 1 8 45.0 9.73561031724532 180.0 1 9 -256.36129272052347 45.81931182053556 279.59803029876775 1 10 +13.638707279476469 45.81931182053557 80.40196970123216 1 10 256.36129272052347 45.81931182053556 279.59803029876775 1 11 315.0 99.73561031724536 0.0 1 12 From 562d216fa934f185a8205f7791e546b52d1303bb Mon Sep 17 00:00:00 2001 From: "f.basile" Date: Wed, 11 Dec 2019 09:23:12 +0100 Subject: [PATCH 09/23] bcc is passive rotation and fcc is active rotation --- .../tests/reference/Rotation/PoleFigures_OR.m | 20 +++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/python/tests/reference/Rotation/PoleFigures_OR.m b/python/tests/reference/Rotation/PoleFigures_OR.m index fb2baa6a1..7a6d750ad 100644 --- a/python/tests/reference/Rotation/PoleFigures_OR.m +++ b/python/tests/reference/Rotation/PoleFigures_OR.m @@ -1,7 +1,7 @@ %% Import Script for EBSD Data -% -% Use MTEX -clear ; clear all +% +% Start MTEX first in Matlab +clear ; clear all ; close; %% Specify Crystal and Specimen Symmetries @@ -19,7 +19,7 @@ setMTEXpref('xAxisDirection','north'); setMTEXpref('zAxisDirection','outOfPlane'); %% path to files -pname = 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed +pname = 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed to hwere you have DAMASK % which files to be imported fname1 = [pname '\bcc_Bain.txt']; fname2 = [pname '\bcc_GT.txt']; fname3 = [pname '\bcc_GT_prime.txt']; @@ -45,17 +45,17 @@ ebsd6 = loadEBSD(fname6,CS_bcc,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); ebsd7 = loadEBSD(fname7,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); ebsd8 = loadEBSD(fname8,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); ebsd9 = loadEBSD(fname9,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); ebsd10 = loadEBSD(fname10,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); ebsd11 = loadEBSD(fname11,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); ebsd12 = loadEBSD(fname12,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); %% Plot Data 1stpart_bcc h1 = [Miller(1,0,0,ebsd1.CS),Miller(1,1,0,ebsd1.CS),Miller(1,1,1,ebsd1.CS)]; % 3 pole figures From 37e52fd81f16861b45b96d50349d3aa1f1d29a3d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 22 Oct 2019 23:31:27 +0200 Subject: [PATCH 10/23] polishing --- python/damask/orientation.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 1b08d2937..a63444155 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -1126,10 +1126,9 @@ class Orientation: return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ... # ... own sym, other sym, # self-->other: True, self<--other: False - - def inFZ(self): return self.lattice.symmetry.inFZ(self.rotation.asRodrigues(vector=True)) + def equivalentOrientations(self,members=[]): """List of orientations which are symmetrically equivalent.""" @@ -1145,6 +1144,7 @@ class Orientation: """List of orientations related by the given orientation relationship.""" r = self.lattice.relationOperations(model) return [self.__class__(o*self.rotation,r['lattice']) for o in r['rotations']] + def reduced(self): """Transform orientation to fall into fundamental zone according to symmetry.""" @@ -1152,7 +1152,8 @@ class Orientation: if self.lattice.symmetry.inFZ(me.rotation.asRodrigues(vector=True)): break return self.__class__(me.rotation,self.lattice) - + + def inversePole(self, axis, proper = False, From bd12ef83b92a6cc8722099d366945da7f6ce6f1e Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 11 Dec 2019 17:38:31 +0100 Subject: [PATCH 11/23] parametrizing --- .../tests/reference/Rotation/PoleFigures_OR.m | 116 +++++------------- 1 file changed, 29 insertions(+), 87 deletions(-) diff --git a/python/tests/reference/Rotation/PoleFigures_OR.m b/python/tests/reference/Rotation/PoleFigures_OR.m index 7a6d750ad..a17bdd831 100644 --- a/python/tests/reference/Rotation/PoleFigures_OR.m +++ b/python/tests/reference/Rotation/PoleFigures_OR.m @@ -1,99 +1,41 @@ -%% Import Script for EBSD Data -% % Start MTEX first in Matlab -clear ; clear all ; close; -%% Specify Crystal and Specimen Symmetries +tmp = matlab.desktop.editor.getActive; +cd(fileparts(tmp.Filename)); -% crystal symmetry -CS_bcc = {... - crystalSymmetry('m-3m', [2.8665 2.8665 2.8665], 'mineral', 'Iron-alpha', 'color', 'light blue'),... - crystalSymmetry('m-3m', [1 1 1], 'color', 'light blue')}; -CS_fcc = {... - crystalSymmetry('m-3m', [3.662 3.662 3.662], 'mineral', 'Iron', 'color', 'light blue'),... - crystalSymmetry('m-3m', [1 1 1], 'color', 'light blue')}; +%% Specify Crystal +symmetry = {crystalSymmetry('m-3m', [1 1 1], 'mineral', 'Iron', 'color', 'light blue')} % plotting convention setMTEXpref('xAxisDirection','north'); setMTEXpref('zAxisDirection','outOfPlane'); -%% path to files -pname = 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed to hwere you have DAMASK -% which files to be imported -fname1 = [pname '\bcc_Bain.txt']; fname2 = [pname '\bcc_GT.txt']; fname3 = [pname '\bcc_GT_prime.txt']; -fname4 = [pname '\bcc_KS.txt']; fname5 = [pname '\bcc_NW.txt']; fname6 = [pname '\bcc_Pitsch.txt']; -fname7 = [pname '\fcc_Bain.txt']; fname8 = [pname '\fcc_GT.txt']; fname9 = [pname '\fcc_GT_prime.txt']; -fname10 = [pname '\fcc_KS.txt']; fname11 = [pname '\fcc_NW.txt']; fname12 = [pname '\fcc_Pitsch.txt']; +lattice_types = {'BCC','FCC'}; +models = {'Bain','GT','GT_prime','KS','NW','Pitsch'}; +rotation = containers.Map; +rotation('BCC') = 'Passive Rotation'; +rotation('FCC') = 'Active Rotation'; -%% Import the Data - -% create an EBSD variable containing the data -ebsd1 = loadEBSD(fname1,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); -ebsd2 = loadEBSD(fname2,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); -ebsd3 = loadEBSD(fname3,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); -ebsd4 = loadEBSD(fname4,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); -ebsd5 = loadEBSD(fname5,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); -ebsd6 = loadEBSD(fname6,CS_bcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Passive Rotation'); - -ebsd7 = loadEBSD(fname7,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); -ebsd8 = loadEBSD(fname8,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); -ebsd9 = loadEBSD(fname9,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); -ebsd10 = loadEBSD(fname10,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); -ebsd11 = loadEBSD(fname11,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); -ebsd12 = loadEBSD(fname12,CS_fcc,'interface','generic',... - 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', 'Active Rotation'); - -%% Plot Data 1stpart_bcc -h1 = [Miller(1,0,0,ebsd1.CS),Miller(1,1,0,ebsd1.CS),Miller(1,1,1,ebsd1.CS)]; % 3 pole figures -plotPDF(ebsd1.orientations,h1,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','r','DisplayName','BCC-Bain') -hold on -plotPDF(ebsd2.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','b','DisplayName','BCC-GT') -plotPDF(ebsd3.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','g','DisplayName','BCC-GT_Prime') -legend('show','location','southoutside') -cd 'L:\f.gallardo\DAMASK\python\tests\reference\Rotation'; % has to be changed -orient('landscape') -print('-bestfit','1_BCC.pdf','-dpdf') - -%% Plot Data 2nd part_bcc -close -plotPDF(ebsd4.orientations,h1,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','w','DisplayName','BCC-KS') -hold on -plotPDF(ebsd5.orientations,h1,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','m','DisplayName','BCC-NW') -plotPDF(ebsd6.orientations,h1,'MarkerSize',5,'MarkerColor','y','MarkerEdgeColor','w','DisplayName','BCC-Pitsch') -legend('show','location','southoutside') -print('-bestfit','2_BCC.pdf','-dpdf') - -%% Plot Data 1stpart_fcc -close -h2 = [Miller(1,0,0,ebsd7.CS),Miller(1,1,0,ebsd7.CS),Miller(1,1,1,ebsd7.CS)]; % 3 pole figures -plotPDF(ebsd7.orientations,h2,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','r','DisplayName','FCC-Bain') -hold on -plotPDF(ebsd8.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','b','DisplayName','FCC-GT') -plotPDF(ebsd9.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','g','DisplayName','FCC-GT_Prime') -legend('show','location','southoutside') -print('-bestfit','1_FCC.pdf','-dpdf') - -%% Plot Data 2nd part_bcc -close -plotPDF(ebsd10.orientations,h2,'MarkerSize',5,'MarkerColor','r','MarkerEdgeColor','w','DisplayName','FCC-KS') -hold on -plotPDF(ebsd11.orientations,h2,'MarkerSize',5,'MarkerColor','w','MarkerEdgeColor','m','DisplayName','FCC-NW') -plotPDF(ebsd12.orientations,h2,'MarkerSize',5,'MarkerColor','y','MarkerEdgeColor','w','DisplayName','FCC-Pitsch') -legend('show','location','southoutside') -print('-bestfit','2_FCC.pdf','-dpdf') -close - +for lattice = lattice_types + for p = 0:length(models)/3-1 + p + EBSD_data = {loadEBSD(strcat(lattice,'_',models{p*3+1},'.txt'),symmetry,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), + loadEBSD(strcat(lattice,'_',models{p*3+2},'.txt'),symmetry,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), + loadEBSD(strcat(lattice,'_',models{p*3+3},'.txt'),symmetry,'interface','generic',... + 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice)))} + h = [Miller(1,0,0,symmetry{1}),Miller(1,1,0,symmetry{1}),Miller(1,1,1,symmetry{1})]; % 3 pole figures + plotPDF(EBSD_data{1}.orientations,h,'MarkerSize',5,'MarkerColor','r','DisplayName',models{p*3+1}) + hold on + plotPDF(EBSD_data{2}.orientations,h,'MarkerSize',5,'MarkerColor','b','DisplayName',models{p*3+2}) + plotPDF(EBSD_data{3}.orientations,h,'MarkerSize',5,'MarkerColor','g','DisplayName',models{p*3+3}) + legend('show','location','southoutside') + orient('landscape') + print('-bestfit',strcat(int2str(p+1),'_',char(lattice),'.pdf'),'-dpdf') + close + end +end \ No newline at end of file From fcbe4ee5a2950cbafd7e851db81d833b6647b82f Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 11 Dec 2019 18:08:51 +0100 Subject: [PATCH 12/23] [skip ci] polishing --- python/tests/reference/Rotation/PoleFigures_OR.m | 7 ++----- 1 file changed, 2 insertions(+), 5 deletions(-) diff --git a/python/tests/reference/Rotation/PoleFigures_OR.m b/python/tests/reference/Rotation/PoleFigures_OR.m index a17bdd831..74e1365b7 100644 --- a/python/tests/reference/Rotation/PoleFigures_OR.m +++ b/python/tests/reference/Rotation/PoleFigures_OR.m @@ -3,8 +3,6 @@ tmp = matlab.desktop.editor.getActive; cd(fileparts(tmp.Filename)); - -%% Specify Crystal symmetry = {crystalSymmetry('m-3m', [1 1 1], 'mineral', 'Iron', 'color', 'light blue')} % plotting convention @@ -21,14 +19,13 @@ rotation('FCC') = 'Active Rotation'; for lattice = lattice_types for p = 0:length(models)/3-1 - p EBSD_data = {loadEBSD(strcat(lattice,'_',models{p*3+1},'.txt'),symmetry,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), loadEBSD(strcat(lattice,'_',models{p*3+2},'.txt'),symmetry,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), loadEBSD(strcat(lattice,'_',models{p*3+3},'.txt'),symmetry,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice)))} - h = [Miller(1,0,0,symmetry{1}),Miller(1,1,0,symmetry{1}),Miller(1,1,1,symmetry{1})]; % 3 pole figures + h = [Miller(1,0,0,symmetry{1}),Miller(1,1,0,symmetry{1}),Miller(1,1,1,symmetry{1})]; % 3 pole figures plotPDF(EBSD_data{1}.orientations,h,'MarkerSize',5,'MarkerColor','r','DisplayName',models{p*3+1}) hold on plotPDF(EBSD_data{2}.orientations,h,'MarkerSize',5,'MarkerColor','b','DisplayName',models{p*3+2}) @@ -38,4 +35,4 @@ for lattice = lattice_types print('-bestfit',strcat(int2str(p+1),'_',char(lattice),'.pdf'),'-dpdf') close end -end \ No newline at end of file +end From 186605610d69e13fd735f3646fde5764cb7a79bd Mon Sep 17 00:00:00 2001 From: Vitesh Shah Date: Fri, 13 Dec 2019 09:53:47 +0100 Subject: [PATCH 13/23] No phase name for generic datasets --- processing/post/DADF5_vtk_cells.py | 5 ++++- processing/post/DADF5_vtk_points.py | 5 ++++- 2 files changed, 8 insertions(+), 2 deletions(-) diff --git a/processing/post/DADF5_vtk_cells.py b/processing/post/DADF5_vtk_cells.py index b8875f4e9..9e8585773 100755 --- a/processing/post/DADF5_vtk_cells.py +++ b/processing/post/DADF5_vtk_cells.py @@ -2,6 +2,7 @@ import os import argparse +import re import h5py import numpy as np @@ -89,10 +90,12 @@ for filename in options.filenames: x = results.get_dataset_location(label) if len(x) == 0: continue + ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name array = results.read_dataset(x,0) shape = [array.shape[0],np.product(array.shape[1:])] vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE)) - vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) + dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset + vtk_data[-1].SetName(dset_name) grid.GetCellData().AddArray(vtk_data[-1]) results.set_visible('constituents', False) diff --git a/processing/post/DADF5_vtk_points.py b/processing/post/DADF5_vtk_points.py index 9265cc3a0..908474336 100755 --- a/processing/post/DADF5_vtk_points.py +++ b/processing/post/DADF5_vtk_points.py @@ -2,6 +2,7 @@ import os import argparse +import re import numpy as np import vtk @@ -76,10 +77,12 @@ for filename in options.filenames: x = results.get_dataset_location(label) if len(x) == 0: continue + ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name array = results.read_dataset(x,0) shape = [array.shape[0],np.product(array.shape[1:])] vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE)) - vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) + dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset + vtk_data[-1].SetName(dset_name) Polydata.GetCellData().AddArray(vtk_data[-1]) results.set_visible('constituents', False) From b14c15fd9ee6720d79677ed30d4558e3928269a5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 Dec 2019 12:15:45 +0100 Subject: [PATCH 14/23] directly output DADF5 to vtk from python --- python/damask/dadf5.py | 120 +++++++++++++++++++++++++++++++++++++++++ 1 file changed, 120 insertions(+) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index beced188d..1142d02b4 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -1,7 +1,10 @@ from queue import Queue import re import glob +import os +import vtk +from vtk.util import numpy_support import h5py import numpy as np @@ -841,3 +844,120 @@ class DADF5(): N_added +=1 pool.wait_completion() + + + def to_vtk(self,labels): + """ + Export to vtk cell data. + + Parameters + ---------- + labels : list of str + Labels of the datasets to be exported. + + """ + if self.structured: + + coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()] + for dim in [0,1,2]: + for c in np.linspace(0,self.size[dim],1+self.grid[dim]): + coordArray[dim].InsertNextValue(c) + + grid = vtk.vtkRectilinearGrid() + grid.SetDimensions(*(self.grid+1)) + grid.SetXCoordinates(coordArray[0]) + grid.SetYCoordinates(coordArray[1]) + grid.SetZCoordinates(coordArray[2]) + + else: + + nodes = vtk.vtkPoints() + with h5py.File(self.fname) as f: + nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) + + grid = vtk.vtkUnstructuredGrid() + grid.SetPoints(nodes) + grid.Allocate(f['/geometry/T_c'].shape[0]) + for i in f['/geometry/T_c']: + grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements! + + N_digits = int(np.floor(np.log10(int(self.increments[-1][3:]))))+1 + + for i,inc in enumerate(self.iter_visible('increments')): + vtk_data = [] + + materialpoints_backup = self.visible['materialpoints'].copy() + self.set_visible('materialpoints',False) + for label in labels: + for p in self.iter_visible('con_physics'): + if p != 'generic': + for c in self.iter_visible('constituents'): + x = self.get_dataset_location(label) + if len(x) == 0: + continue + array = self.read_dataset(x,0) + shape = [array.shape[0],np.product(array.shape[1:])] + vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), + deep=True,array_type= vtk.VTK_DOUBLE)) + vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: hard coded 1! + grid.GetCellData().AddArray(vtk_data[-1]) + else: + x = self.get_dataset_location(label) + if len(x) == 0: + continue + array = self.read_dataset(x,0) + shape = [array.shape[0],np.product(array.shape[1:])] + vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), + deep=True,array_type= vtk.VTK_DOUBLE)) + ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name + dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset + vtk_data[-1].SetName(dset_name) + grid.GetCellData().AddArray(vtk_data[-1]) + self.set_visible('materialpoints',materialpoints_backup) + + constituents_backup = self.visible['constituents'].copy() + self.set_visible('constituents',False) + for label in labels: + for p in self.iter_visible('mat_physics'): + if p != 'generic': + for m in self.iter_visible('materialpoints'): + x = self.get_dataset_location(label) + if len(x) == 0: + continue + array = self.read_dataset(x,0) + shape = [array.shape[0],np.product(array.shape[1:])] + vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), + deep=True,array_type= vtk.VTK_DOUBLE)) + vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: why 1_? + grid.GetCellData().AddArray(vtk_data[-1]) + else: + x = self.get_dataset_location(label) + if len(x) == 0: + continue + array = self.read_dataset(x,0) + shape = [array.shape[0],np.product(array.shape[1:])] + vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), + deep=True,array_type= vtk.VTK_DOUBLE)) + vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) + grid.GetCellData().AddArray(vtk_data[-1]) + self.set_visible('constituents',constituents_backup) + + writer = vtk.vtkXMLRectilinearGridWriter() if self.structured else \ + vtk.vtkXMLUnstructuredGridWriter() + + x = self.get_dataset_location('u_n') + vtk_data.append(numpy_support.numpy_to_vtk(num_array=self.read_dataset(x,0), + deep=True,array_type=vtk.VTK_DOUBLE)) + vtk_data[-1].SetName('u') + grid.GetPointData().AddArray(vtk_data[-1]) + + file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.basename(self.fname))[0], + inc[3:].zfill(N_digits), + writer.GetDefaultFileExtension()) + + writer.SetCompressorTypeToZLib() + writer.SetDataModeToBinary() + writer.SetFileName(file_out) + writer.SetInputData(grid) + + writer.Write() From 0c30f6b1dfc52cc399a08bf479e239f29abf36ff Mon Sep 17 00:00:00 2001 From: "f.basile" Date: Fri, 13 Dec 2019 12:52:33 +0100 Subject: [PATCH 15/23] Polishing Mtex script for plotting pole figures. --- 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lattice_types for p = 0:length(models)/3-1 - EBSD_data = {loadEBSD(strcat(lattice,'_',models{p*3+1},'.txt'),symmetry,'interface','generic',... + EBSD_data = {loadEBSD(strcat (lattice,'_',models{p*3+1},'.txt'),symmetry,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), loadEBSD(strcat(lattice,'_',models{p*3+2},'.txt'),symmetry,'interface','generic',... 'ColumnNames', { 'phi1' 'Phi' 'phi2' 'x' 'y'}, 'Bunge', rotation(char(lattice))), @@ -28,11 +28,11 @@ for lattice = lattice_types h = [Miller(1,0,0,symmetry{1}),Miller(1,1,0,symmetry{1}),Miller(1,1,1,symmetry{1})]; % 3 pole figures plotPDF(EBSD_data{1}.orientations,h,'MarkerSize',5,'MarkerColor','r','DisplayName',models{p*3+1}) hold on - plotPDF(EBSD_data{2}.orientations,h,'MarkerSize',5,'MarkerColor','b','DisplayName',models{p*3+2}) - plotPDF(EBSD_data{3}.orientations,h,'MarkerSize',5,'MarkerColor','g','DisplayName',models{p*3+3}) - legend('show','location','southoutside') + plotPDF(EBSD_data{2}.orientations,h,'MarkerSize',4,'MarkerColor','b','DisplayName',models{p*3+2}) + plotPDF(EBSD_data{3}.orientations,h,'MarkerSize',3,'MarkerColor','g','DisplayName',models{p*3+3}) + legend('show','location','southoutside','Interpreter', 'none') orient('landscape') print('-bestfit',strcat(int2str(p+1),'_',char(lattice),'.pdf'),'-dpdf') close end -end +end \ No newline at end of file From b662ca0acf72d4a6eac8c8587ff518d1edbe0704 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 Dec 2019 13:23:13 +0100 Subject: [PATCH 16/23] do not modify pdf files --- .gitattributes | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.gitattributes b/.gitattributes index 8d1f26a78..7a5c5bde5 100644 --- a/.gitattributes +++ b/.gitattributes @@ -3,8 +3,8 @@ # always use LF, even if the files are edited on windows, they need to be compiled/used on unix * text eol=lf -# Denote all files that are truly binary and should not be modified. +# Denote all files that are binary and should not be modified. *.png binary *.jpg binary -*.cae binary *.hdf5 binary +*.pdf binary From 57a69ad4c93ce54740097bd421e574e806d442c8 Mon Sep 17 00:00:00 2001 From: "f.basile" Date: Fri, 13 Dec 2019 13:32:16 +0100 Subject: [PATCH 17/23] Reupload PDF pole figures. --- python/tests/reference/Rotation/1_BCC.pdf | Bin 43263 -> 43264 bytes python/tests/reference/Rotation/1_FCC.pdf | Bin 43263 -> 43264 bytes python/tests/reference/Rotation/2_BCC.pdf | Bin 43017 -> 43017 bytes python/tests/reference/Rotation/2_FCC.pdf | Bin 43017 -> 43017 bytes .../tests/reference/Rotation/PoleFigures_OR.m | 2 +- 5 files changed, 1 insertion(+), 1 deletion(-) diff --git a/python/tests/reference/Rotation/1_BCC.pdf b/python/tests/reference/Rotation/1_BCC.pdf index 599b892105907e96d19f52b7d927dafda0500d7c..445f1d250fea234be7680d874b149e52bed42851 100644 GIT binary patch delta 97 zcmex=k*VPl(}YS^V`BqjlZ|y8{EWPt+xYosIvct;S-Kgx8oC;oTNoIb7`d4lyBQc5 X7?~TInmL)78`>$@5K=Pv#tL-+B;Xlw delta 95 zcmZp;#Pt6n(}YS^BNJmIIU1W=nwuD!n3qFW+rYHj&6=Ft|rE& Q29|aTHiVQ+ezaU20EpWdssI20 delta 90 zcmeCYz|?txX+kBdk%_U9*~U7><<3Tq#^#nr&gO~2CmK)&d!$3j!v!yrp~6OE^bB^rY6Q_KtVGD PCp!fjLP{n-TCNTNkZl;Z delta 90 zcmeCYz|?txX+kBdk%_Uf(Z)K(<<2ISrk0MT2Bwxy#x72dhDMgAj*f Date: Fri, 13 Dec 2019 14:20:18 +0100 Subject: [PATCH 18/23] Point based vtk file in DADF5 class --- python/damask/dadf5.py | 115 +++++++++++++++++++++++++++-------------- 1 file changed, 75 insertions(+), 40 deletions(-) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 1142d02b4..1f4af8de3 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -846,41 +846,58 @@ class DADF5(): pool.wait_completion() - def to_vtk(self,labels): + def to_vtk(self,labels,mode='Cell'): """ - Export to vtk cell data. + Export to vtk cell/point data. Parameters ---------- labels : list of str Labels of the datasets to be exported. + mode : str + Export in cell format or point format. + Default value is 'Cell' """ - if self.structured: + if mode=='Cell': - coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()] - for dim in [0,1,2]: - for c in np.linspace(0,self.size[dim],1+self.grid[dim]): - coordArray[dim].InsertNextValue(c) - - grid = vtk.vtkRectilinearGrid() - grid.SetDimensions(*(self.grid+1)) - grid.SetXCoordinates(coordArray[0]) - grid.SetYCoordinates(coordArray[1]) - grid.SetZCoordinates(coordArray[2]) - - else: - - nodes = vtk.vtkPoints() - with h5py.File(self.fname) as f: - nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) + if self.structured: + + coordArray = [vtk.vtkDoubleArray(),vtk.vtkDoubleArray(),vtk.vtkDoubleArray()] + for dim in [0,1,2]: + for c in np.linspace(0,self.size[dim],1+self.grid[dim]): + coordArray[dim].InsertNextValue(c) + + grid = vtk.vtkRectilinearGrid() + grid.SetDimensions(*(self.grid+1)) + grid.SetXCoordinates(coordArray[0]) + grid.SetYCoordinates(coordArray[1]) + grid.SetZCoordinates(coordArray[2]) + + else: - grid = vtk.vtkUnstructuredGrid() - grid.SetPoints(nodes) - grid.Allocate(f['/geometry/T_c'].shape[0]) - for i in f['/geometry/T_c']: - grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements! - + nodes = vtk.vtkPoints() + with h5py.File(self.fname) as f: + nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) + + grid = vtk.vtkUnstructuredGrid() + grid.SetPoints(nodes) + grid.Allocate(f['/geometry/T_c'].shape[0]) + for i in f['/geometry/T_c']: + grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements! + else: + Points = vtk.vtkPoints() + Vertices = vtk.vtkCellArray() + for c in self.cell_coordinates(): + pointID = Points.InsertNextPoint(c) + Vertices.InsertNextCell(1) + Vertices.InsertCellPoint(pointID) + + Polydata = vtk.vtkPolyData() + Polydata.SetPoints(Points) + Polydata.SetVerts(Vertices) + Polydata.Modified() + N_digits = int(np.floor(np.log10(int(self.increments[-1][3:]))))+1 for i,inc in enumerate(self.iter_visible('increments')): @@ -900,7 +917,10 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: hard coded 1! - grid.GetCellData().AddArray(vtk_data[-1]) + if mode=='Cell': + grid.GetCellData().AddArray(vtk_data[-1]) + else: + Polydata.GetCellData().AddArray(vtk_data[-1]) else: x = self.get_dataset_location(label) if len(x) == 0: @@ -912,9 +932,12 @@ class DADF5(): ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset vtk_data[-1].SetName(dset_name) - grid.GetCellData().AddArray(vtk_data[-1]) + if mode=='Cell': + grid.GetCellData().AddArray(vtk_data[-1]) + else: + Polydata.GetCellData().AddArray(vtk_data[-1]) self.set_visible('materialpoints',materialpoints_backup) - + constituents_backup = self.visible['constituents'].copy() self.set_visible('constituents',False) for label in labels: @@ -929,7 +952,10 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: why 1_? - grid.GetCellData().AddArray(vtk_data[-1]) + if mode=='Cell': + grid.GetCellData().AddArray(vtk_data[-1]) + else: + Polydata.GetCellData().AddArray(vtk_data[-1]) else: x = self.get_dataset_location(label) if len(x) == 0: @@ -939,17 +965,23 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) - grid.GetCellData().AddArray(vtk_data[-1]) + if mode=='Cell': + grid.GetCellData().AddArray(vtk_data[-1]) + else: + Polydata.GetCellData().AddArray(vtk_data[-1]) self.set_visible('constituents',constituents_backup) - - writer = vtk.vtkXMLRectilinearGridWriter() if self.structured else \ - vtk.vtkXMLUnstructuredGridWriter() + + if mode=='Cell': + writer = vtk.vtkXMLRectilinearGridWriter() if self.structured else \ + vtk.vtkXMLUnstructuredGridWriter() + x = self.get_dataset_location('u_n') + vtk_data.append(numpy_support.numpy_to_vtk(num_array=self.read_dataset(x,0), + deep=True,array_type=vtk.VTK_DOUBLE)) + vtk_data[-1].SetName('u') + grid.GetPointData().AddArray(vtk_data[-1]) + else: + writer = vtk.vtkXMLPolyDataWriter() - x = self.get_dataset_location('u_n') - vtk_data.append(numpy_support.numpy_to_vtk(num_array=self.read_dataset(x,0), - deep=True,array_type=vtk.VTK_DOUBLE)) - vtk_data[-1].SetName('u') - grid.GetPointData().AddArray(vtk_data[-1]) file_out = '{}_inc{}.{}'.format(os.path.splitext(os.path.basename(self.fname))[0], inc[3:].zfill(N_digits), @@ -958,6 +990,9 @@ class DADF5(): writer.SetCompressorTypeToZLib() writer.SetDataModeToBinary() writer.SetFileName(file_out) - writer.SetInputData(grid) - + if mode=='Cell': + writer.SetInputData(grid) + else: + writer.SetInputData(Polydata) + writer.Write() From e5448fc381b8524cfeaf7ea89e8a6423d6b62f80 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 Dec 2019 14:36:52 +0100 Subject: [PATCH 19/23] avoid code duplication --- python/damask/dadf5.py | 63 +++++++++++++++++------------------------- 1 file changed, 25 insertions(+), 38 deletions(-) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 1f4af8de3..0f32b4b5e 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -854,9 +854,9 @@ class DADF5(): ---------- labels : list of str Labels of the datasets to be exported. - mode : str + mode : str, either 'Cell' or 'Point' Export in cell format or point format. - Default value is 'Cell' + Default value is 'Cell'. """ if mode=='Cell': @@ -868,11 +868,11 @@ class DADF5(): for c in np.linspace(0,self.size[dim],1+self.grid[dim]): coordArray[dim].InsertNextValue(c) - grid = vtk.vtkRectilinearGrid() - grid.SetDimensions(*(self.grid+1)) - grid.SetXCoordinates(coordArray[0]) - grid.SetYCoordinates(coordArray[1]) - grid.SetZCoordinates(coordArray[2]) + vtk_geom = vtk.vtkRectilinearGrid() + vtk_geom.SetDimensions(*(self.grid+1)) + vtk_geom.SetXCoordinates(coordArray[0]) + vtk_geom.SetYCoordinates(coordArray[1]) + vtk_geom.SetZCoordinates(coordArray[2]) else: @@ -880,12 +880,12 @@ class DADF5(): with h5py.File(self.fname) as f: nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) - grid = vtk.vtkUnstructuredGrid() - grid.SetPoints(nodes) - grid.Allocate(f['/geometry/T_c'].shape[0]) + vtk_geom = vtk.vtkUnstructuredGrid() + vtk_geom.SetPoints(nodes) + vtk_geom.Allocate(f['/geometry/T_c'].shape[0]) for i in f['/geometry/T_c']: - grid.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements! - else: + vtk_geom.InsertNextCell(vtk.VTK_HEXAHEDRON,8,i-1) # not for all elements! + elif mode == 'Point': Points = vtk.vtkPoints() Vertices = vtk.vtkCellArray() for c in self.cell_coordinates(): @@ -893,10 +893,10 @@ class DADF5(): Vertices.InsertNextCell(1) Vertices.InsertCellPoint(pointID) - Polydata = vtk.vtkPolyData() - Polydata.SetPoints(Points) - Polydata.SetVerts(Vertices) - Polydata.Modified() + vtk_geom = vtk.vtkPolyData() + vtk_geom.SetPoints(Points) + vtk_geom.SetVerts(Vertices) + vtk_geom.Modified() N_digits = int(np.floor(np.log10(int(self.increments[-1][3:]))))+1 @@ -917,10 +917,8 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: hard coded 1! - if mode=='Cell': - grid.GetCellData().AddArray(vtk_data[-1]) - else: - Polydata.GetCellData().AddArray(vtk_data[-1]) + vtk_geom.GetCellData().AddArray(vtk_data[-1]) + else: x = self.get_dataset_location(label) if len(x) == 0: @@ -932,10 +930,8 @@ class DADF5(): ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset vtk_data[-1].SetName(dset_name) - if mode=='Cell': - grid.GetCellData().AddArray(vtk_data[-1]) - else: - Polydata.GetCellData().AddArray(vtk_data[-1]) + vtk_geom.GetCellData().AddArray(vtk_data[-1]) + self.set_visible('materialpoints',materialpoints_backup) constituents_backup = self.visible['constituents'].copy() @@ -952,10 +948,7 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) #ToDo: why 1_? - if mode=='Cell': - grid.GetCellData().AddArray(vtk_data[-1]) - else: - Polydata.GetCellData().AddArray(vtk_data[-1]) + vtk_geom.GetCellData().AddArray(vtk_data[-1]) else: x = self.get_dataset_location(label) if len(x) == 0: @@ -965,10 +958,7 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) vtk_data[-1].SetName('1_'+x[0].split('/',1)[1]) - if mode=='Cell': - grid.GetCellData().AddArray(vtk_data[-1]) - else: - Polydata.GetCellData().AddArray(vtk_data[-1]) + vtk_geom.GetCellData().AddArray(vtk_data[-1]) self.set_visible('constituents',constituents_backup) if mode=='Cell': @@ -978,8 +968,8 @@ class DADF5(): vtk_data.append(numpy_support.numpy_to_vtk(num_array=self.read_dataset(x,0), deep=True,array_type=vtk.VTK_DOUBLE)) vtk_data[-1].SetName('u') - grid.GetPointData().AddArray(vtk_data[-1]) - else: + vtk_geom.GetPointData().AddArray(vtk_data[-1]) + elif mode == 'Point': writer = vtk.vtkXMLPolyDataWriter() @@ -990,9 +980,6 @@ class DADF5(): writer.SetCompressorTypeToZLib() writer.SetDataModeToBinary() writer.SetFileName(file_out) - if mode=='Cell': - writer.SetInputData(grid) - else: - writer.SetInputData(Polydata) + writer.SetInputData(vtk_geom) writer.Write() From 5b376712ef80091a618b384cf723a8b02a927e8b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 13 Dec 2019 14:39:10 +0100 Subject: [PATCH 20/23] bugfix: wrong coordinates --- python/damask/dadf5.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 0f32b4b5e..367d15f36 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -436,7 +436,7 @@ class DADF5(): np.linspace(delta[1],self.size[1]-delta[1],self.grid[1]), np.linspace(delta[0],self.size[0]-delta[0],self.grid[0]), ) - return np.concatenate((x[:,:,:,None],y[:,:,:,None],y[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3]) + return np.concatenate((x[:,:,:,None],y[:,:,:,None],z[:,:,:,None]),axis = 3).reshape([np.product(self.grid),3]) else: with h5py.File(self.fname,'r') as f: return f['geometry/x_c'][()] From 898352e2220b4edcea864cc40a34095ad821d8f9 Mon Sep 17 00:00:00 2001 From: Test User Date: Sat, 14 Dec 2019 16:57:23 +0100 Subject: [PATCH 21/23] [skip ci] updated version information after successful test of v2.0.3-1255-ga6da8fdd --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 1439ed27c..dd4016408 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.3-1237-g5a2053cd +v2.0.3-1255-ga6da8fdd From 4469f2f8f0712202d8175a6e1ea3ceb3b05073e4 Mon Sep 17 00:00:00 2001 From: Vitesh Shah Date: Wed, 18 Dec 2019 10:14:19 +0100 Subject: [PATCH 22/23] More general regex --- processing/post/DADF5_vtk_cells.py | 2 +- processing/post/DADF5_vtk_points.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/processing/post/DADF5_vtk_cells.py b/processing/post/DADF5_vtk_cells.py index 9e8585773..b3afe939d 100755 --- a/processing/post/DADF5_vtk_cells.py +++ b/processing/post/DADF5_vtk_cells.py @@ -90,7 +90,7 @@ for filename in options.filenames: x = results.get_dataset_location(label) if len(x) == 0: continue - ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name + ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') #looking for phase name in dataset name array = results.read_dataset(x,0) shape = [array.shape[0],np.product(array.shape[1:])] vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE)) diff --git a/processing/post/DADF5_vtk_points.py b/processing/post/DADF5_vtk_points.py index 908474336..925a73a5c 100755 --- a/processing/post/DADF5_vtk_points.py +++ b/processing/post/DADF5_vtk_points.py @@ -77,7 +77,7 @@ for filename in options.filenames: x = results.get_dataset_location(label) if len(x) == 0: continue - ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name + ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') #looking for phase name in dataset name array = results.read_dataset(x,0) shape = [array.shape[0],np.product(array.shape[1:])] vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape),deep=True,array_type= vtk.VTK_DOUBLE)) From 3c42368f6681313a6efcd55afe9b145f1a5166a8 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 18 Dec 2019 11:29:13 +0100 Subject: [PATCH 23/23] also use newer regex --- python/damask/dadf5.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 367d15f36..2b86cb5f0 100644 --- a/python/damask/dadf5.py +++ b/python/damask/dadf5.py @@ -833,7 +833,7 @@ class DADF5(): N_not_calculated = len(todo) while N_not_calculated > 0: result = results.get() - with h5py.File(self.fname,'a') as f: # write to file + with h5py.File(self.fname,'a') as f: # write to file dataset_out = f[result['group']].create_dataset(result['label'],data=result['data']) for k in result['meta'].keys(): dataset_out.attrs[k] = result['meta'][k].encode() @@ -927,8 +927,8 @@ class DADF5(): shape = [array.shape[0],np.product(array.shape[1:])] vtk_data.append(numpy_support.numpy_to_vtk(num_array=array.reshape(shape), deep=True,array_type= vtk.VTK_DOUBLE)) - ph_name = re.compile(r'(\/[1-9])_([A-Z][a-z]*)_(([a-z]*)|([A-Z]*))') #looking for phase name in dataset name - dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) #removing phase name from generic dataset + ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') # identify phase name + dset_name = '1_' + re.sub(ph_name,r'',x[0].split('/',1)[1]) # removing phase name vtk_data[-1].SetName(dset_name) vtk_geom.GetCellData().AddArray(vtk_data[-1])