223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'development' into MiscImprovements

This commit is contained in:
Martin Diehl 2019-12-18 19:57:00 +01:00
parent 63fc125398 80b559dc00
commit 2fe163be31
25 changed files with 461 additions and 33 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
.gitattributes vendored
View File

@ -3,8 +3,8 @@
# always use LF, even if the files are edited on windows, they need to be compiled/used on unix # always use LF, even if the files are edited on windows, they need to be compiled/used on unix
* text eol=lf * 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 *.png binary
*.jpg binary *.jpg binary
*.cae binary
*.hdf5 binary *.hdf5 binary
*.pdf binary

7
.gitlab-ci.yml
View File

@ -115,13 +115,6 @@ Pytest:
- release - release
################################################################################################### ###################################################################################################
OrientationRelationship:
stage: preprocessing
script: OrientationRelationship/test.py
except:
- master
- release
Pre_SeedGeneration: Pre_SeedGeneration:
stage: preprocessing stage: preprocessing
script: PreProcessing_SeedGeneration/test.py script: PreProcessing_SeedGeneration/test.py

2
VERSION
View File

@ -1 +1 @@
v2.0.3-1237-g5a2053cd v2.0.3-1255-ga6da8fdd

5
processing/post/DADF5_vtk_cells.py
View File

@ -2,6 +2,7 @@
import os import os
import argparse import argparse
import re
import h5py import h5py
import numpy as np import numpy as np
@ -89,10 +90,12 @@ for filename in options.filenames:
x = results.get_dataset_location(label) x = results.get_dataset_location(label)
if len(x) == 0: if len(x) == 0:
continue continue
ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') #looking for phase name in dataset name
array = results.read_dataset(x,0) array = results.read_dataset(x,0)
shape = [array.shape[0],np.product(array.shape[1:])] 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.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]) grid.GetCellData().AddArray(vtk_data[-1])
results.set_visible('constituents', False) results.set_visible('constituents', False)

5
processing/post/DADF5_vtk_points.py
View File

@ -2,6 +2,7 @@
import os import os
import argparse import argparse
import re
import numpy as np import numpy as np
import vtk import vtk
@ -76,10 +77,12 @@ for filename in options.filenames:
x = results.get_dataset_location(label) x = results.get_dataset_location(label)
if len(x) == 0: if len(x) == 0:
continue continue
ph_name = re.compile(r'(?<=(constituent\/))(.*?)(?=(generic))') #looking for phase name in dataset name
array = results.read_dataset(x,0) array = results.read_dataset(x,0)
shape = [array.shape[0],np.product(array.shape[1:])] 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.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]) Polydata.GetCellData().AddArray(vtk_data[-1])
results.set_visible('constituents', False) results.set_visible('constituents', False)

144
python/damask/dadf5.py
View File

@ -1,7 +1,10 @@
from queue import Queue from queue import Queue
import re import re
import glob import glob
import os
import vtk
from vtk.util import numpy_support
import h5py import h5py
import numpy as np 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[1],self.size[1]-delta[1],self.grid[1]),
np.linspace(delta[0],self.size[0]-delta[0],self.grid[0]), 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: else:
with h5py.File(self.fname,'r') as f: with h5py.File(self.fname,'r') as f:
return f['geometry/x_c'][()] return f['geometry/x_c'][()]
@ -844,3 +847,142 @@ class DADF5():
N_added +=1 N_added +=1
pool.wait_completion() 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()

29
python/damask/orientation.py
View File

@ -701,14 +701,14 @@ class Symmetry:
v = np.array(vector,dtype=float) v = np.array(vector,dtype=float)
if proper: # check both improper ... 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) inSST = np.all(theComponents >= 0.0)
if not inSST: # ... and proper SST 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) inSST = np.all(theComponents >= 0.0)
else: else:
v[2] = abs(v[2]) # z component projects identical 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) inSST = np.all(theComponents >= 0.0)
if color: # have to return color array if color: # have to return color array
@ -875,7 +875,7 @@ class Lattice:
[[ 17, 12, 5],[ 17, 7, 17]], [[ 17, 12, 5],[ 17, 7, 17]],
[[ 5, 17, 12],[ 17, 17, 7]], [[ 5, 17, 12],[ 17, 17, 7]],
[[ 12, -5,-17],[ 7,-17,-17]], [[ 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 # Greninger--Troiano' orientation relationship for fcc <-> bcc transformation
# from Y. He et al., Journal of Applied Crystallography 39:72-81, 2006 # 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]], [[-17,-17, 7],[-17, -5, 12]],
[[ 7,-17,-17],[ 12,-17, -5]], [[ 7,-17,-17],[ 12,-17, -5]],
[[ 17, -7,-17],[ 5, -12,-17]], [[ 17, -7,-17],[ 5, -12,-17]],
[[ 17,-17, 7],[ 17, -5,-12]], [[ 17,-17, -7],[ 17, -5,-12]],
[[ -7, 17,-17],[-12, 17, -5]], [[ -7, 17,-17],[-12, 17, -5]],
[[-17, 7,-17],[ -5, 12,-17]], [[-17, 7,-17],[ -5, 12,-17]],
[[-17, 17, -7],[-17, 5,-12]]],dtype='float'), [[-17, 17, -7],[-17, 5,-12]]],dtype='float'),
@ -957,7 +957,7 @@ class Lattice:
[[ 2, 1, -1],[ 0, -1, 1]], [[ 2, 1, -1],[ 0, -1, 1]],
[[ -1, -2, -1],[ 0, -1, 1]], [[ -1, -2, -1],[ 0, -1, 1]],
[[ -1, 1, 2],[ 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, 2, 1],[ 0, -1, 1]],
[[ -1, -1, -2],[ 0, -1, 1]]],dtype='float')} [[ -1, -1, -2],[ 0, -1, 1]]],dtype='float')}
@ -1025,7 +1025,7 @@ class Lattice:
https://doi.org/10.1016/j.actamat.2004.11.021 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} 'NW':self.NW, 'Pitsch': self.Pitsch, 'Bain':self.Bain}
try: try:
relationship = models[model] relationship = models[model]
@ -1046,13 +1046,13 @@ class Lattice:
for miller in np.hstack((relationship['planes'],relationship['directions'])): for miller in np.hstack((relationship['planes'],relationship['directions'])):
myPlane = miller[myPlane_id]/ np.linalg.norm(miller[myPlane_id]) myPlane = miller[myPlane_id]/ np.linalg.norm(miller[myPlane_id])
myDir = miller[myDir_id]/ np.linalg.norm(miller[myDir_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]) otherPlane = miller[otherPlane_id]/ np.linalg.norm(miller[otherPlane_id])
otherDir = miller[otherDir_id]/ np.linalg.norm(miller[otherDir_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 return r
@ -1126,10 +1126,9 @@ class Orientation:
return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ... return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ...
# ... own sym, other sym, # ... own sym, other sym,
# self-->other: True, self<--other: False # self-->other: True, self<--other: False
def inFZ(self): def inFZ(self):
return self.lattice.symmetry.inFZ(self.rotation.asRodrigues(vector=True)) return self.lattice.symmetry.inFZ(self.rotation.asRodrigues(vector=True))
def equivalentOrientations(self,members=[]): def equivalentOrientations(self,members=[]):
"""List of orientations which are symmetrically equivalent.""" """List of orientations which are symmetrically equivalent."""
@ -1144,7 +1143,8 @@ class Orientation:
def relatedOrientations(self,model): def relatedOrientations(self,model):
"""List of orientations related by the given orientation relationship.""" """List of orientations related by the given orientation relationship."""
r = self.lattice.relationOperations(model) 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): def reduced(self):
"""Transform orientation to fall into fundamental zone according to symmetry.""" """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 if self.lattice.symmetry.inFZ(me.rotation.asRodrigues(vector=True)): break
return self.__class__(me.rotation,self.lattice) return self.__class__(me.rotation,self.lattice)
def inversePole(self, def inversePole(self,
axis, axis,
proper = False, proper = False,

BIN
python/tests/reference/Rotation/1_BCC.pdf Normal file
View File

Binary file not shown.

BIN
python/tests/reference/Rotation/1_FCC.pdf Normal file
View File

Binary file not shown.

BIN
python/tests/reference/Rotation/2_BCC.pdf Normal file
View File

Binary file not shown.

BIN
python/tests/reference/Rotation/2_FCC.pdf Normal file
View File

Binary file not shown.

38
python/tests/reference/Rotation/PoleFigures_OR.m Normal file
View File

@ -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

5
python/tests/reference/Rotation/bcc_Bain.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/bcc_GT.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/bcc_GT_prime.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/bcc_KS.txt Normal file
View File

@ -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

14
python/tests/reference/Rotation/bcc_NW.txt Normal file
View File

@ -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

14
python/tests/reference/Rotation/bcc_Pitsch.txt Normal file
View File

@ -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

5
python/tests/reference/Rotation/fcc_Bain.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/fcc_GT.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/fcc_GT_prime.txt Normal file
View File

@ -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

26
python/tests/reference/Rotation/fcc_KS.txt Normal file
View File

@ -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

14
python/tests/reference/Rotation/fcc_NW.txt Normal file
View File

@ -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

14
python/tests/reference/Rotation/fcc_Pitsch.txt Normal file
View File

@ -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

38
python/tests/test_Rotation.py
View File

@ -1,7 +1,11 @@
import os
import pytest import pytest
import numpy as np import numpy as np
import damask
from damask import Rotation from damask import Rotation
from damask import Orientation
n = 1000 n = 1000
@ -10,6 +14,11 @@ def default():
"""A set of n random rotations.""" """A set of n random rotations."""
return [Rotation.fromRandom() for r in range(n)] return [Rotation.fromRandom() for r in range(n)]
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return os.path.join(reference_dir_base,'Rotation')
class TestRotation: class TestRotation:
@ -18,38 +27,55 @@ class TestRotation:
assert np.allclose(rot.asQuaternion(), assert np.allclose(rot.asQuaternion(),
Rotation.fromEulers(rot.asEulers()).asQuaternion()) Rotation.fromEulers(rot.asEulers()).asQuaternion())
def test_AxisAngle(self,default): def test_AxisAngle(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asEulers(), assert np.allclose(rot.asEulers(),
Rotation.fromAxisAngle(rot.asAxisAngle()).asEulers()) Rotation.fromAxisAngle(rot.asAxisAngle()).asEulers())
def test_Matrix(self,default): def test_Matrix(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asAxisAngle(), assert np.allclose(rot.asAxisAngle(),
Rotation.fromMatrix(rot.asMatrix()).asAxisAngle()) Rotation.fromMatrix(rot.asMatrix()).asAxisAngle())
def test_Rodriques(self,default): def test_Rodriques(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asMatrix(), assert np.allclose(rot.asMatrix(),
Rotation.fromRodrigues(rot.asRodrigues()).asMatrix()) Rotation.fromRodrigues(rot.asRodrigues()).asMatrix())
def test_Homochoric(self,default): def test_Homochoric(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asRodrigues(), assert np.allclose(rot.asRodrigues(),
Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues()) Rotation.fromHomochoric(rot.asHomochoric()).asRodrigues())
def test_Cubochoric(self,default): def test_Cubochoric(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asHomochoric(), assert np.allclose(rot.asHomochoric(),
Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric()) Rotation.fromCubochoric(rot.asCubochoric()).asHomochoric())
def test_Quaternion(self,default): def test_Quaternion(self,default):
for rot in default: for rot in default:
assert np.allclose(rot.asCubochoric(), assert np.allclose(rot.asCubochoric(),
Rotation.fromQuaternion(rot.asQuaternion()).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'))