Merge branch 'polish-rotation-error-determination' into 'development'
cleaner and more efficient determination of ValueErrors See merge request damask/DAMASK!656
This commit is contained in:
Martin Diehl
commit
05974fb300
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@ -767,10 +767,8 @@ class Rotation:
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"""
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qu = np.array(q,dtype=float)
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if qu.shape[:-2:-1] != (4,):
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raise ValueError('invalid shape')
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if abs(P) != 1:
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raise ValueError('P ∉ {-1,1}')
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if qu.shape[:-2:-1] != (4,): raise ValueError('invalid shape')
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if abs(P) != 1: raise ValueError('P ∉ {-1,1}')
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qu[...,1:4] *= -P
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@ -778,7 +776,8 @@ class Rotation:
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qu[qu[...,0] < 0.0] *= -1
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elif np.any(qu[...,0] < 0.0):
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raise ValueError('quaternion with negative first (real) component')
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if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=1e-8)):
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if not np.allclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=1e-8):
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raise ValueError('quaternion is not of unit length')
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return Rotation(qu)
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@ -803,11 +802,10 @@ class Rotation:
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"""
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eu = np.array(phi,dtype=float)
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if eu.shape[:-2:-1] != (3,):
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raise ValueError('invalid shape')
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if eu.shape[:-2:-1] != (3,): raise ValueError('invalid shape')
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eu = np.radians(eu) if degrees else eu
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if np.any(eu < 0.0) or np.any(eu > 2.0*np.pi) or np.any(eu[...,1] > np.pi): # ToDo: No separate check for PHI
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if np.any(eu < 0.0) or np.any(eu > np.pi*np.array([2.0,1.0,2.0])):
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raise ValueError('Euler angles outside of [0..2π],[0..π],[0..2π]')
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return Rotation(Rotation._eu2qu(eu))
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@ -834,18 +832,17 @@ class Rotation:
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"""
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ax = np.array(axis_angle,dtype=float)
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if ax.shape[:-2:-1] != (4,):
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raise ValueError('invalid shape')
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if abs(P) != 1:
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raise ValueError('P ∉ {-1,1}')
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if ax.shape[:-2:-1] != (4,): raise ValueError('invalid shape')
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if abs(P) != 1: raise ValueError('P ∉ {-1,1}')
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ax[...,0:3] *= -P
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if degrees: ax[..., 3] = np.radians(ax[...,3])
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if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1,keepdims=True)
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if np.any(ax[...,3] < 0.0) or np.any(ax[...,3] > np.pi):
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raise ValueError('axis–angle rotation angle outside of [0..π]')
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if not np.all(np.isclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0)):
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print(np.linalg.norm(ax[...,0:3],axis=-1))
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if normalize:
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ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1,keepdims=True)
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elif not np.allclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0):
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raise ValueError('axis–angle rotation axis is not of unit length')
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return Rotation(Rotation._ax2qu(ax))
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@ -868,22 +865,23 @@ class Rotation:
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"""
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om = np.array(basis,dtype=float)
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if om.shape[-2:] != (3,3):
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raise ValueError('invalid shape')
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if om.shape[-2:] != (3,3): raise ValueError('invalid shape')
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if reciprocal:
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om = np.linalg.inv(tensor.transpose(om)/np.pi) # transform reciprocal basis set
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orthonormal = False # contains stretch
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if not orthonormal:
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(U,S,Vh) = np.linalg.svd(om) # singular value decomposition
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om = np.einsum('...ij,...jl',U,Vh)
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if not np.all(np.isclose(np.linalg.det(om),1.0)):
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raise ValueError('orientation matrix has determinant ≠ 1')
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if not np.all(np.isclose(np.einsum('...i,...i',om[...,0],om[...,1]), 0.0)) \
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or not np.all(np.isclose(np.einsum('...i,...i',om[...,1],om[...,2]), 0.0)) \
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or not np.all(np.isclose(np.einsum('...i,...i',om[...,2],om[...,0]), 0.0)):
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elif not np.allclose(np.einsum('...i,...i',om[...,0],om[...,1]), 0.0) \
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or not np.allclose(np.einsum('...i,...i',om[...,1],om[...,2]), 0.0) \
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or not np.allclose(np.einsum('...i,...i',om[...,2],om[...,0]), 0.0):
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raise ValueError('orientation matrix is not orthogonal')
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if not np.allclose(np.linalg.det(om),1.0):
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raise ValueError('orientation matrix has determinant ≠ 1')
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return Rotation(Rotation._om2qu(om))
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@staticmethod
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@ -946,16 +944,15 @@ class Rotation:
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"""
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ro = np.array(rho,dtype=float)
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if ro.shape[:-2:-1] != (4,):
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raise ValueError('invalid shape')
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if abs(P) != 1:
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raise ValueError('P ∉ {-1,1}')
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if ro.shape[:-2:-1] != (4,): raise ValueError('invalid shape')
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if abs(P) != 1: raise ValueError('P ∉ {-1,1}')
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ro[...,0:3] *= -P
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if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True)
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if np.any(ro[...,3] < 0.0):
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raise ValueError('Rodrigues vector rotation angle is negative')
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if not np.all(np.isclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0)):
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if np.any(ro[...,3] < 0.0): raise ValueError('Rodrigues vector rotation angle is negative')
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if normalize:
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ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True)
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elif not np.allclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0):
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raise ValueError('Rodrigues vector rotation axis is not of unit length')
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return Rotation(Rotation._ro2qu(ro))
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@ -975,10 +972,8 @@ class Rotation:
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"""
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ho = np.array(h,dtype=float)
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if ho.shape[:-2:-1] != (3,):
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raise ValueError('invalid shape')
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if abs(P) != 1:
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raise ValueError('P ∉ {-1,1}')
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if ho.shape[:-2:-1] != (3,): raise ValueError('invalid shape')
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if abs(P) != 1: raise ValueError('P ∉ {-1,1}')
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ho *= -P
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@ -1002,11 +997,8 @@ class Rotation:
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"""
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cu = np.array(x,dtype=float)
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if cu.shape[:-2:-1] != (3,):
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raise ValueError('invalid shape')
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if abs(P) != 1:
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raise ValueError('P ∉ {-1,1}')
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if cu.shape[:-2:-1] != (3,): raise ValueError('invalid shape')
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if abs(P) != 1: raise ValueError('P ∉ {-1,1}')
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if np.abs(np.max(cu)) > np.pi**(2./3.) * 0.5+1e-9:
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raise ValueError('cubochoric coordinate outside of the cube')
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@ -927,6 +927,7 @@ class TestRotation:
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@pytest.mark.parametrize('function,invalid',[(Rotation.from_quaternion, np.array([-1,0,0,0])),
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(Rotation.from_quaternion, np.array([1,1,1,0])),
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(Rotation.from_Euler_angles, np.array([1,4,0])),
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(Rotation.from_Euler_angles, np.array([-1,0,0])),
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(Rotation.from_axis_angle, np.array([1,0,0,4])),
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(Rotation.from_axis_angle, np.array([1,1,0,1])),
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(Rotation.from_matrix, np.random.rand(3,3)),
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@ -934,7 +935,8 @@ class TestRotation:
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(Rotation.from_Rodrigues_vector, np.array([1,0,0,-1])),
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(Rotation.from_Rodrigues_vector, np.array([1,1,0,1])),
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(Rotation.from_homochoric, np.array([2,2,2])),
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(Rotation.from_cubochoric, np.array([1.1,0,0])) ])
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(Rotation.from_cubochoric, np.array([1.1,0,0])),
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])
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def test_invalid_value(self,function,invalid):
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with pytest.raises(ValueError):
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function(invalid)
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