polishing

python/damask/_orientation.py

@@ -125,10 +125,10 @@ class Orientation: # ToDo: make subclass of lattice and Rotation
 
         s = op.reshape(op.shape[:1]+(1,)*len(self.rotation.shape)+(4,))
         s = Rotation(np.broadcast_to(s,s.shape[:1]+self.rotation.quaternion.shape))
-        
+
         r = np.broadcast_to(self.rotation.quaternion,s.shape[:1]+self.rotation.quaternion.shape)
         r = Rotation(r)
-        
+
         return self.__class__(s@r,h['lattice'])
 
 
@@ -142,7 +142,7 @@ class Orientation: # ToDo: make subclass of lattice and Rotation
         """Transform orientation to fall into fundamental zone according to symmetry."""
         equi= self.equivalent_vec.rotation                                              #equivalent orientations
         r= 1 if not self.rotation.shape else equi.shape[1]                              #number of rotations
-        num_equi=equi.shape[0]                                                          #number of equivalente orientations  
+        num_equi=equi.shape[0]                                                          #number of equivalente orientations
         quat= np.reshape( equi.as_quaternion(), (r*num_equi,4) ,order='F')              #equivalents are listed in intiuitive order
         boolean=Orientation(quat,  self.lattice).inFZ_vec()                             #check which ones are in FZ
         if sum(boolean) == r:
@@ -150,12 +150,12 @@ class Orientation: # ToDo: make subclass of lattice and Rotation
 
         else:
             print('More than 1 equivalent orientation has been found for an orientation')
-            index=np.empty(r, dtype=int)                                                
+            index=np.empty(r, dtype=int)
             for l,h in enumerate(range(0,r*num_equi, num_equi)):
                 index[l]=np.where(boolean[h:h+num_equi])[0][0] + (l*num_equi)           #get first index that is true then go check to next orientation
-                
+
             return self.__class__(quat[index],self.lattice)
-                
+
 
 
 

python/damask/_rotation.py

@@ -267,7 +267,8 @@ class Rotation:
 
         """
         ro = Rotation._qu2ro(self.quaternion)
-        return ro[...,:3]*ro[...,3:] if vector else ro
+        with np.errstate(invalid='ignore'):
+            return ro[...,:3]*ro[...,3:] if vector else ro
 
     def as_homochoric(self):
         """Homochoric vector: (h_1, h_2, h_3)."""

python/tests/test_ori_vec.py

@@ -5,10 +5,10 @@ from damask import Rotation
 from damask import Orientation
 from damask import Lattice
 
-rot0= Rotation.from_random()  ; 
-rot1= Rotation.from_random()  ; 
-rot2= Rotation.from_random()  ; 
-rot3= Rotation.from_random()  ; 
+rot0= Rotation.from_random()
+rot1= Rotation.from_random()
+rot2= Rotation.from_random()
+rot3= Rotation.from_random()
 
 #disorientation