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3f63a4fdbc
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15b43bcebf
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@ -421,16 +421,16 @@ class Rotation:
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orthonormal = True,
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orthonormal = True,
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reciprocal = False):
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reciprocal = False):
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"""
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"""
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Initialize from tbd.
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Initialize from lattice basis vectors.
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Parameters
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Parameters
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----------
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----------
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basis : numpy.ndarray of shape (...,3,3)
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basis : numpy.ndarray of shape (...,3,3)
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tbd
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Three lattice basis vectors in three dimensions.
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orthonormal : boolean, optional
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orthonormal : boolean, optional
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tbd. Defaults to True.
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Basis is strictly orthonormal, i.e. is free of stretch components. Defaults to True.
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reciprocal : boolean, optional
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reciprocal : boolean, optional
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tbd. Defaults to False.
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Basis vectors are given in reciprocal (instead of real) space. Defaults to False.
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"""
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"""
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om = np.array(basis,dtype=float)
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om = np.array(basis,dtype=float)
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@ -452,27 +452,6 @@ class Rotation:
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return Rotation(Rotation._om2qu(om))
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return Rotation(Rotation._om2qu(om))
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@staticmethod
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def from_directions(hkl,uvw):
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"""
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Initialize from pair of directions/planes.
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Parameters
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----------
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hkl: numpy.ndarray of shape (...,3)
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Direction parallel to z direction, i.e. (h k l) || (0,0,1).
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uvw: numpy.ndarray of shape (...,3)
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Direction parallel to x direction, i.e. <u v w> || (1,0,0).
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"""
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hkl_ = hkl/np.linalg.norm(hkl,axis=-1,keepdims=True)
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uvw_ = uvw/np.linalg.norm(uvw,axis=-1,keepdims=True)
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v_1 = np.block([uvw_,np.cross(hkl_,uvw_),hkl_]).reshape(hkl_.shape+(3,))
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v_2 = np.block([uvw_,np.cross(uvw_,hkl_),hkl_]).reshape(hkl_.shape+(3,))
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R = np.where(np.broadcast_to(np.expand_dims(np.expand_dims(np.linalg.det(v_1)>0,-1),-1),v_1.shape),
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v_1,v_2)
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return Rotation.from_basis(np.swapaxes(R,axis2=-2,axis1=-1))
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@staticmethod
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@staticmethod
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def from_matrix(R):
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def from_matrix(R):
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"""
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"""
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@ -854,11 +854,6 @@ class TestRotation:
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rot = Rotation.from_basis(om,False,reciprocal=reciprocal)
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rot = Rotation.from_basis(om,False,reciprocal=reciprocal)
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assert np.isclose(np.linalg.det(rot.as_matrix()),1.0)
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assert np.isclose(np.linalg.det(rot.as_matrix()),1.0)
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def test_directions(self):
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hkl = np.array([0.,0.,1.])
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uvw = np.array([1.,0.,0.])
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assert np.allclose(Rotation.from_directions(hkl,uvw).as_matrix(),np.eye(3))
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@pytest.mark.parametrize('shape',[None,1,(4,4)])
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@pytest.mark.parametrize('shape',[None,1,(4,4)])
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def test_random(self,shape):
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def test_random(self,shape):
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Rotation.from_random(shape)
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Rotation.from_random(shape)
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