using new Orientation class

.gitlab-ci.yml

@@ -207,7 +207,9 @@ Post_ParaviewRelated:
 
 Post_OrientationConversion:
   stage: postprocessing
-  script: OrientationConversion/test.py
+  script:
+    - OrientationConversion/test.py
+    - OrientationConversion/test2.py
   except:
     - master
     - release

PRIVATE

@@ -1 +1 @@
-Subproject commit f0090997df817f0a0b5a480a60e81929875b1010
+Subproject commit 8deb37dd4526fb5e1425fe1d2360508d01b6ac3e

processing/post/addIPFcolor.py

@@ -41,6 +41,10 @@ parser.set_defaults(pole = (0.0,0.0,1.0),
 
 (options, filenames) = parser.parse_args()
 
+# damask.Orientation requires Bravais lattice, but we are only interested in symmetry
+symmetry2lattice={'cubic':'bcc','hexagonal':'hex','tetragonal':'bct'}
+lattice = symmetry2lattice[options.symmetry]
+
 pole = np.array(options.pole)
 pole /= np.linalg.norm(pole)
 
@@ -78,8 +82,8 @@ for name in filenames:
 
   outputAlive = True
   while outputAlive and table.data_read():                                                          # read next data line of ASCII table
-    o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),
+    o = damask.Orientation(np.array(list(map(float,table.data[column:column+4]))),
-                           symmetry   = options.symmetry).reduced()
+                           lattice   = lattice).reduced()
 
     table.data_append(o.IPFcolor(pole))
     outputAlive = table.data_write()                                                                # output processed line

processing/post/addPole.py

@@ -75,9 +75,9 @@ for name in filenames:
 # ------------------------------------------ process data ------------------------------------------
   outputAlive = True
   while outputAlive and table.data_read():                                                          # read next data line of ASCII table
-    o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))))
+    o = damask.Rotation(np.array(list(map(float,table.data[column:column+4]))))
 
-    rotatedPole = o.quaternion*pole                                                                 # rotate pole according to crystal orientation
+    rotatedPole = o*pole                                                                 # rotate pole according to crystal orientation
     (x,y) = rotatedPole[0:2]/(1.+abs(pole[2]))                                                      # stereographic projection
 
     table.data_append([np.sqrt(x*x+y*y),np.arctan2(y,x)] if options.polar else [x,y])               # cartesian coordinates

processing/post/rotateData.py

@@ -31,7 +31,7 @@ parser.add_option('--degrees',
                   action = 'store_true',
                   help = 'angles are given in degrees')
 
-parser.set_defaults(rotation = (0.,1.,0.,0.),                                                       # no rotation about 1,0,0
+parser.set_defaults(rotation = (0.,1.,1.,1.),                                                       # no rotation about 1,1,1
                     degrees = False,
                    )
                     

processing/pre/geom_fromTable.py

@@ -52,11 +52,8 @@ parser.add_option('--crystallite',
 
 
 parser.set_defaults(symmetry       = [damask.Symmetry.lattices[-1]],
-                    tolerance      = 0.0,
-                    degrees        = False,
                     homogenization = 1,
                     crystallite    = 1,
-                    verbose        = False,
                     pos            = 'pos',
                    )
 

python/damask/__init__.py

@@ -13,7 +13,7 @@ from .asciitable  import ASCIItable       # noqa
     
 from .config      import Material         # noqa
 from .colormaps   import Colormap, Color  # noqa
-from .orientation import Quaternion, Symmetry, Rotation, Orientation # noqa
+from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
 
 #from .block       import Block           # only one class
 from .result      import Result           # noqa