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DAMASK_EICMD
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slightly cleaner way of dealing with disorientation calculation when axis not required to fall into SST.

This commit is contained in:
Philip Eisenlohr 2015-10-09 13:03:10 +00:00
parent 26f8f74310
commit 7df8d95cd0
1 changed files with 17 additions and 11 deletions
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24
lib/damask/orientation.py
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@ -846,17 +846,18 @@ class Orientation:
def disorientation(self,
other,
strict = True):
SST = True):
'''
Disorientation between myself and given other orientation
(currently needs to be of same symmetry.
look into A. Heinz and P. Neumann 1991 for cases with differing sym.)
Disorientation between myself and given other orientation.
Rotation axis falls into SST if SST == True.
(Currently requires same symmetry for both orientations.
Look into A. Heinz and P. Neumann 1991 for cases with differing sym.)
'''
if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.')
misQ = self.quaternion.conjugated()*other.quaternion
mySymQs = self.symmetry.symmetryQuats() if strict else self.symmetry.symmetryQuats()[:1] # take all or first sym equivalent
mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation
otherSymQs = other.symmetry.symmetryQuats()
for i,sA in enumerate(mySymQs):
@ -864,9 +865,9 @@ class Orientation:
theQ = sA.conjugated()*misQ*sB
for k in xrange(2):
theQ.conjugate()
hitSST = other.symmetry.inDisorientationSST(theQ) or not strict
hitFZ = self.symmetry.inFZ(theQ)
breaker = hitSST and hitFZ
hitSST = other.symmetry.inDisorientationSST(theQ)
breaker = hitFZ and (hitSST or not SST)
if breaker: break
if breaker: break
if breaker: break
@ -875,7 +876,9 @@ class Orientation:
i,j,k == 1) # disorientation, own sym, other sym, self-->other: True, self<--other: False
def inversePole(self,axis,SST = True):
def inversePole(self,
axis,
SST = True):
'''
axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)
'''
@ -928,7 +931,10 @@ class Orientation:
return Orientation(quaternion = Quaternion(quatArray = vec.T[eig.argmax()]))
def related(self, relationModel, direction, targetSymmetry = None):
def related(self,
relationModel,
direction,
targetSymmetry = None):
if relationModel not in ['KS','GT','GTdash','NW','Pitsch','Bain']: return None
if int(direction) == 0: return None