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 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/VERSION b/VERSION index 1439ed27c..dd4016408 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.3-1237-g5a2053cd +v2.0.3-1255-ga6da8fdd diff --git a/processing/post/DADF5_vtk_cells.py b/processing/post/DADF5_vtk_cells.py index b8875f4e9..b3afe939d 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'(?<=(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)) - 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..925a73a5c 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'(?<=(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)) - 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) diff --git a/python/damask/dadf5.py b/python/damask/dadf5.py index 959d222df..f008a995e 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 @@ -436,7 +439,7 @@ 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'][()] @@ -844,3 +847,142 @@ class DADF5(): N_added +=1 pool.wait_completion() + + + def to_vtk(self,labels,mode='Cell'): + """ + Export to vtk cell/point data. + + Parameters + ---------- + labels : list of str + Labels of the datasets to be exported. + mode : str, either 'Cell' or 'Point' + Export in cell format or point format. + Default value is 'Cell'. + + """ + if mode=='Cell': + + 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) + + 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: + + nodes = vtk.vtkPoints() + with h5py.File(self.fname) as f: + nodes.SetData(numpy_support.numpy_to_vtk(f['/geometry/x_n'][()],deep=True)) + + vtk_geom = vtk.vtkUnstructuredGrid() + vtk_geom.SetPoints(nodes) + vtk_geom.Allocate(f['/geometry/T_c'].shape[0]) + for i in f['/geometry/T_c']: + 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(): + pointID = Points.InsertNextPoint(c) + Vertices.InsertNextCell(1) + Vertices.InsertCellPoint(pointID) + + 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 + + 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! + vtk_geom.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'(?<=(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]) + + 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_? + vtk_geom.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]) + vtk_geom.GetCellData().AddArray(vtk_data[-1]) + self.set_visible('constituents',constituents_backup) + + 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') + vtk_geom.GetPointData().AddArray(vtk_data[-1]) + elif mode == 'Point': + writer = vtk.vtkXMLPolyDataWriter() + + + 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(vtk_geom) + + writer.Write() diff --git a/python/damask/orientation.py b/python/damask/orientation.py index 85a5c1866..a63444155 100644 --- a/python/damask/orientation.py +++ b/python/damask/orientation.py @@ -701,14 +701,14 @@ class Symmetry: v = np.array(vector,dtype=float) if proper: # check both improper ... - theComponents = np.dot(basis['improper'],v) + 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) + 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 + 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 @@ -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')} @@ -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] @@ -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 @@ -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.""" @@ -1144,7 +1143,8 @@ 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.""" @@ -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, diff --git a/python/tests/reference/Rotation/1_BCC.pdf b/python/tests/reference/Rotation/1_BCC.pdf new file mode 100644 index 000000000..445f1d250 Binary files /dev/null and b/python/tests/reference/Rotation/1_BCC.pdf differ diff --git a/python/tests/reference/Rotation/1_FCC.pdf b/python/tests/reference/Rotation/1_FCC.pdf new file mode 100644 index 000000000..1dade6b60 Binary files /dev/null and b/python/tests/reference/Rotation/1_FCC.pdf differ diff --git a/python/tests/reference/Rotation/2_BCC.pdf b/python/tests/reference/Rotation/2_BCC.pdf new file mode 100644 index 000000000..423bc645d Binary files /dev/null and b/python/tests/reference/Rotation/2_BCC.pdf differ diff --git a/python/tests/reference/Rotation/2_FCC.pdf b/python/tests/reference/Rotation/2_FCC.pdf new file mode 100644 index 000000000..813076c61 Binary files /dev/null and b/python/tests/reference/Rotation/2_FCC.pdf differ diff --git a/python/tests/reference/Rotation/PoleFigures_OR.m b/python/tests/reference/Rotation/PoleFigures_OR.m new file mode 100644 index 000000000..1e57ca01d --- /dev/null +++ b/python/tests/reference/Rotation/PoleFigures_OR.m @@ -0,0 +1,38 @@ +% Start MTEX first in Matlab + +tmp = matlab.desktop.editor.getActive; +cd(fileparts(tmp.Filename)); + +symmetry = {crystalSymmetry('m-3m', [1 1 1], 'mineral', 'Iron', 'color', 'light blue')} + +% plotting convention +setMTEXpref('xAxisDirection','north'); +setMTEXpref('zAxisDirection','outOfPlane'); + + +lattice_types = {'BCC','FCC'}; +models = {'Bain','GT','GT_prime','KS','NW','Pitsch'}; + +rotation = containers.Map; +rotation('BCC') = 'Passive Rotation'; +rotation('FCC') = 'Active Rotation'; + +for lattice = lattice_types + for p = 0:length(models)/3-1 + 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',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 \ No newline at end of file diff --git a/python/tests/reference/Rotation/bcc_Bain.txt b/python/tests/reference/Rotation/bcc_Bain.txt new file mode 100644 index 000000000..e0bc4f6c7 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_Bain.txt @@ -0,0 +1,5 @@ +1 header +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 new file mode 100644 index 000000000..5d5102698 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_GT.txt @@ -0,0 +1,26 @@ +1 header +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 +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 new file mode 100644 index 000000000..e398d3139 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_GT_prime.txt @@ -0,0 +1,26 @@ +1 header +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 +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_KS.txt b/python/tests/reference/Rotation/bcc_KS.txt new file mode 100644 index 000000000..34b393358 --- /dev/null +++ b/python/tests/reference/Rotation/bcc_KS.txt @@ -0,0 +1,26 @@ +1 header +1_Eulers 2_Eulers 3_Eulers 1_pos 2_pos +335.7965716606702 10.528779365509317 65.79657166067024 1 1 +228.77270547567446 80.40593177313953 85.64260312151849 1 2 +131.22729452432552 80.40593177313954 4.357396878481506 1 3 +24.20342833932977 10.52877936550932 24.20342833932976 1 4 +221.95489158457983 85.70366403943002 80.37863910890589 1 5 +138.04510841542015 85.70366403943004 9.621360891094124 1 6 +131.22729452432552 80.40593177313953 94.35739687848151 1 7 +24.203428339329765 10.52877936550932 114.20342833932976 1 8 +221.95489158457983 85.70366403943004 170.37863910890587 1 9 +138.04510841542015 85.70366403943004 99.62136089109411 1 10 +335.7965716606702 10.52877936550932 155.79657166067025 1 11 +228.77270547567448 80.40593177313954 175.6426031215185 1 12 +335.7965716606702 10.52877936550932 335.7965716606702 1 13 +228.77270547567448 80.40593177313954 355.6426031215185 1 14 +131.2272945243255 80.40593177313954 274.35739687848144 1 15 +24.203428339329747 10.52877936550932 294.2034283393298 1 16 +221.95489158457985 85.70366403943004 350.3786391089059 1 17 +138.04510841542015 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 new file mode 100644 index 000000000..754c69bba --- /dev/null +++ b/python/tests/reference/Rotation/bcc_NW.txt @@ -0,0 +1,14 @@ +1 header +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 +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/bcc_Pitsch.txt b/python/tests/reference/Rotation/bcc_Pitsch.txt new file mode 100644 index 000000000..ef28bbb4d --- /dev/null +++ b/python/tests/reference/Rotation/bcc_Pitsch.txt @@ -0,0 +1,14 @@ +1 header +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 new file mode 100644 index 000000000..876cf3888 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_Bain.txt @@ -0,0 +1,5 @@ +1 header +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 new file mode 100644 index 000000000..cefae431a --- /dev/null +++ b/python/tests/reference/Rotation/fcc_GT.txt @@ -0,0 +1,26 @@ +1 header +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 +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 new file mode 100644 index 000000000..44a9b25ec --- /dev/null +++ b/python/tests/reference/Rotation/fcc_GT_prime.txt @@ -0,0 +1,26 @@ +1 header +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 +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_KS.txt b/python/tests/reference/Rotation/fcc_KS.txt new file mode 100644 index 000000000..93fdcf07e --- /dev/null +++ b/python/tests/reference/Rotation/fcc_KS.txt @@ -0,0 +1,26 @@ +1 header +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 new file mode 100644 index 000000000..cc9c95a05 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_NW.txt @@ -0,0 +1,14 @@ +1 header +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 +13.638707279476469 45.81931182053557 80.40196970123216 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 new file mode 100644 index 000000000..aa0c32365 --- /dev/null +++ b/python/tests/reference/Rotation/fcc_Pitsch.txt @@ -0,0 +1,14 @@ +1 header +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 72956c013..08d543554 100644 --- a/python/tests/test_Rotation.py +++ b/python/tests/test_Rotation.py @@ -1,7 +1,11 @@ +import os + import pytest import numpy as np +import damask from damask import Rotation +from damask import Orientation n = 1000 @@ -10,6 +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: @@ -18,38 +27,55 @@ 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 + + @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: + 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'))