decoupling Orientation and Lattice/LatticeFamily

python/damask/_orientation.py

@@ -139,7 +139,6 @@ class Orientation(Rotation):
             self.structure = l = LatticeFamily(self.family)  # noqa
             self.immutable = l.immutable
             self.basis = l.basis
-            self.symmetry_operations = l.symmetry_operations
 
             self.a = self.b = self.c = None
             self.alpha = self.beta = self.gamma = None
@@ -152,7 +151,6 @@ class Orientation(Rotation):
             self.structure = l = Lattice(self.lattice, a,b,c, alpha,beta,gamma, degrees) # noqa
             self.immutable = l.immutable
             self.basis = l.basis
-            self.symmetry_operations = l.symmetry_operations
 
             self.a = l.a
             self.b = l.b
@@ -178,11 +176,6 @@ class Orientation(Rotation):
                        + ([f'Crystal family {self.family}'])
                        + [super().__repr__()])
 
-    @property
-    def parameters(self):
-        """Return lattice parameters a, b, c, alpha, beta, gamma."""
-        return (self.a,self.b,self.c,self.alpha,self.beta,self.gamma)
-
 
     def __copy__(self,**kwargs):
         """Create deep copy."""
@@ -437,7 +430,8 @@ class Orientation(Rotation):
         is added to the left of the Rotation array.
 
         """
-        o = self.symmetry_operations.broadcast_to(self.symmetry_operations.shape+self.shape,mode='right')
+        sym_ops = self.structure.symmetry_operations
+        o = sym_ops.broadcast_to(sym_ops.shape+self.shape,mode='right')
         return self.copy(rotation=o*Rotation(self.quaternion).broadcast_to(o.shape,mode='left'))
 
 
@@ -817,11 +811,12 @@ class Orientation(Rotation):
             Lab frame vector (or vectors if with_symmetry) along [uvw] direction or (hkl) plane normal.
 
         """
+        sym_ops = self.structure.symmetry_operations
         # ToDo: simplify 'with_symmetry'
         v = self.to_frame(uvw=uvw,hkl=hkl)
         if with_symmetry:
-            v = self.symmetry_operations.broadcast_to(self.symmetry_operations.shape+v.shape[:-1],mode='right') \
-              @ np.broadcast_to(v,self.symmetry_operations.shape+v.shape)
+            v = sym_ops.broadcast_to(sym_ops.shape+v.shape[:-1],mode='right') \
+              @ np.broadcast_to(v,sym_ops.shape+v.shape)
         return ~(self if self.shape+v.shape[:-1] == () else self.broadcast_to(self.shape+v.shape[:-1],mode='right')) \
                @ np.broadcast_to(v,self.shape+v.shape)
 

python/tests/test_Orientation.py

@@ -75,7 +75,7 @@ class TestOrientation:
                                       ])
     def test_invalid_init(self,kwargs):
         with pytest.raises(ValueError):
-            Orientation(**kwargs).parameters                                                        # noqa
+            Orientation(**kwargs)
 
     @pytest.mark.parametrize('kwargs',[
                                         dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4,beta=np.pi/3,gamma=np.pi/2),
@@ -436,7 +436,7 @@ class TestOrientation:
                                     a=a,b=b,c=c,
                                     alpha=alpha,beta=beta,gamma=gamma)
         assert o.to_pole(**{kw:vector,'with_symmetry':with_symmetry}).shape \
-            == o.shape + (o.symmetry_operations.shape if with_symmetry else ()) + vector.shape
+            == o.shape + (o.structure.symmetry_operations.shape if with_symmetry else ()) + vector.shape
 
     @pytest.mark.parametrize('lattice',['hP','cI','cF'])
     def test_Schmid(self,update,ref_path,lattice):