equivalentOrientations accepts scalar argument to directly return single rotation object (not single element list)
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@ -510,7 +510,7 @@ class Symmetry:
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otherOrder = Symmetry.lattices.index(other.lattice)
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return (myOrder > otherOrder) - (myOrder < otherOrder)
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def symmetryOperations(self,who=[]):
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def symmetryOperations(self,members=[]):
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"""List of symmetry operations as quaternions."""
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if self.lattice == 'cubic':
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symQuats = [
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@ -577,8 +577,14 @@ class Symmetry:
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[ 1.0,0.0,0.0,0.0 ],
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]
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return list(map(Rotation,
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np.array(symQuats)[np.atleast_1d(np.array(who)) if who != [] else range(len(symQuats))]))
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symOps = list(map(Rotation,
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np.array(symQuats)[np.atleast_1d(members) if members != [] else range(len(symQuats))]))
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try:
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iter(members) # asking for (even empty) list of members?
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except TypeError:
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return symOps[0] # no, return rotation object
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else:
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return symOps # yes, return list of rotations
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def inFZ(self,R):
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@ -1096,10 +1102,15 @@ class Orientation:
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def inFZ(self):
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return self.lattice.symmetry.inFZ(self.rotation.asRodrigues())
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def equivalentOrientations(self, who=[]):
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def equivalentOrientations(self,members=[]):
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"""List of orientations which are symmetrically equivalent"""
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try:
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iter(members) # asking for (even empty) list of members?
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except TypeError:
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return self.__class__(self.lattice.symmetry.symmetryOperations(members)*self.rotation,self.lattice) # no, return rotation object
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else:
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return [self.__class__(q*self.rotation,self.lattice) \
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for q in self.lattice.symmetry.symmetryOperations(who)]
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for q in self.lattice.symmetry.symmetryOperations(members)] # yes, return list of rotations
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def relatedOrientations(self,model):
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"""List of orientations related by the given orientation relationship"""
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