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DAMASK_EICMD
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polishing

This commit is contained in:
Martin Diehl 2020-06-30 13:31:58 +02:00
parent ce7018164f
commit 9d94b521ad
3 changed files with 12 additions and 11 deletions
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12
python/damask/_orientation.py
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@ -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 = op.reshape(op.shape[:1]+(1,)*len(self.rotation.shape)+(4,))
s = Rotation(np.broadcast_to(s,s.shape[:1]+self.rotation.quaternion.shape)) 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 = np.broadcast_to(self.rotation.quaternion,s.shape[:1]+self.rotation.quaternion.shape)
r = Rotation(r) r = Rotation(r)
return self.__class__(s@r,h['lattice']) 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.""" """Transform orientation to fall into fundamental zone according to symmetry."""
equi= self.equivalent_vec.rotation #equivalent orientations equi= self.equivalent_vec.rotation #equivalent orientations
r= 1 if not self.rotation.shape else equi.shape[1] #number of rotations 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 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 boolean=Orientation(quat, self.lattice).inFZ_vec() #check which ones are in FZ
if sum(boolean) == r: if sum(boolean) == r:
@ -150,12 +150,12 @@ class Orientation: # ToDo: make subclass of lattice and Rotation
else: else:
print('More than 1 equivalent orientation has been found for an orientation') 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)): 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 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) return self.__class__(quat[index],self.lattice)

3
python/damask/_rotation.py
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@ -267,7 +267,8 @@ class Rotation:
""" """
ro = Rotation._qu2ro(self.quaternion) 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): def as_homochoric(self):
"""Homochoric vector: (h_1, h_2, h_3).""" """Homochoric vector: (h_1, h_2, h_3)."""

8
python/tests/test_ori_vec.py
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@ -5,10 +5,10 @@ from damask import Rotation
from damask import Orientation from damask import Orientation
from damask import Lattice from damask import Lattice
rot0= Rotation.from_random() ; rot0= Rotation.from_random()
rot1= Rotation.from_random() ; rot1= Rotation.from_random()
rot2= Rotation.from_random() ; rot2= Rotation.from_random()
rot3= Rotation.from_random() ; rot3= Rotation.from_random()
#disorientation #disorientation