fixed datatype

This commit is contained in:
Martin Diehl 2019-02-24 09:12:21 +01:00
parent d3ac3cc0f5
commit 73f6cb7020
1 changed files with 4 additions and 3 deletions

View File

@ -499,7 +499,7 @@ class Symmetry:
otherOrder = Symmetry.lattices.index(other.lattice) otherOrder = Symmetry.lattices.index(other.lattice)
return (myOrder > otherOrder) - (myOrder < otherOrder) return (myOrder > otherOrder) - (myOrder < otherOrder)
def symmetryQuats(self,who = []): def symmetryOperations(self):
"""List of symmetry operations as quaternions.""" """List of symmetry operations as quaternions."""
if self.lattice == 'cubic': if self.lattice == 'cubic':
symQuats = [ symQuats = [
@ -566,7 +566,7 @@ class Symmetry:
[ 1.0,0.0,0.0,0.0 ], [ 1.0,0.0,0.0,0.0 ],
] ]
return np.array(symQuats) return [Rotation(q) for q in symQuats]
def inFZ(self,R): def inFZ(self,R):
@ -1074,7 +1074,8 @@ class Orientation:
def equivalentOrientations(self): def equivalentOrientations(self):
"""List of orientations which are symmetrically equivalent""" """List of orientations which are symmetrically equivalent"""
return [self.__class__(q*self.rotation.quaternion,self.lattice) for q in self.lattice.symmetry.symmetryQuats()] return [self.__class__(q*self.rotation,self.lattice) \
for q in self.lattice.symmetry.symmetryOperations()]
def relatedOrientations(self,model): def relatedOrientations(self,model):
"""List of orientations related by the given orientation relationship""" """List of orientations related by the given orientation relationship"""