normalize to_pole output by default
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@ -786,7 +786,8 @@ class Orientation(Rotation,Crystal):
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def to_pole(self, *,
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uvw: FloatSequence = None,
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hkl: FloatSequence = None,
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with_symmetry: bool = False) -> np.ndarray:
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with_symmetry: bool = False,
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normalize: bool = True) -> np.ndarray:
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"""
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Calculate lab frame vector along lattice direction [uvw] or plane normal (hkl).
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@ -795,9 +796,13 @@ class Orientation(Rotation,Crystal):
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uvw|hkl : numpy.ndarray, shape (...,3)
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Miller indices of crystallographic direction or plane normal.
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Shape of vector blends with shape of own rotation array.
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For example, a rotation array, shape (3,2) and a vector array of shape (2,4) result in (3,2,4) outputs.
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For example, a rotation array of shape (3,2) and a vector array of shape (2,4) result in (3,2,4) outputs.
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with_symmetry : bool, optional
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Calculate all N symmetrically equivalent vectors.
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Defaults to False.
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normalize : bool, optional
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Normalize output vector.
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Defaults to True.
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Returns
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-------
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@ -807,6 +812,8 @@ class Orientation(Rotation,Crystal):
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"""
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v = self.to_frame(uvw=uvw,hkl=hkl)
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blend = util.shapeblender(self.shape,v.shape[:-1])
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if normalize:
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v /= np.linalg.norm(v,axis=-1,keepdims=len(v.shape)>1)
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if with_symmetry:
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sym_ops = self.symmetry_operations
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shape = v.shape[:-1]+sym_ops.shape
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@ -173,8 +173,8 @@ class TestOrientation:
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o = Orientation.from_directions(uvw=a,hkl=c,**kwargs)
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x = o.to_pole(uvw=a)
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z = o.to_pole(hkl=c)
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assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
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and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
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assert np.isclose(np.dot(x,np.array([1,0,0])),1) \
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and np.isclose(np.dot(z,np.array([0,0,1])),1)
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@pytest.mark.parametrize('function',[Orientation.from_random,
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Orientation.from_quaternion,
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