disorientation returns Orientation, not Rotation

This commit is contained in:
Martin Diehl 2019-04-17 10:48:18 +02:00
parent 3f8c16262e
commit 079e683dd1
1 changed files with 3 additions and 3 deletions

View File

@ -899,8 +899,8 @@ class Orientation:
(Currently requires same symmetry for both orientations. (Currently requires same symmetry for both orientations.
Look into A. Heinz and P. Neumann 1991 for cases with differing sym.) Look into A. Heinz and P. Neumann 1991 for cases with differing sym.)
""" """
#if self.lattice.symmetry != other.lattice.symmetry: if self.lattice.symmetry != other.lattice.symmetry:
# raise NotImplementedError('disorientation between different symmetry classes not supported yet.') raise NotImplementedError('disorientation between different symmetry classes not supported yet.')
mySymEqs = self.equivalentOrientations() if SST else self.equivalentOrientations([0]) # take all or only first sym operation mySymEqs = self.equivalentOrientations() if SST else self.equivalentOrientations([0]) # take all or only first sym operation
otherSymEqs = other.equivalentOrientations() otherSymEqs = other.equivalentOrientations()
@ -918,7 +918,7 @@ class Orientation:
if breaker: break if breaker: break
if breaker: break if breaker: break
return (r, i,j, k == 1) if symmetries else r # disorientation ... return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else Orientation(r,self.lattice)# disorientation ...
# ... own sym, other sym, # ... own sym, other sym,
# self-->other: True, self<--other: False # self-->other: True, self<--other: False