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DAMASK_EICMD
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cleaner and more efficient determination of ValueErrors

This commit is contained in:
Philip Eisenlohr 2022-11-15 17:03:57 -05:00
parent c8e5e9e34a
commit 740965df7c
2 changed files with 15 additions and 14 deletions
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23
python/damask/_rotation.py
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@ -778,7 +778,7 @@ class Rotation:
else: else:
if np.any(qu[...,0] < 0.0): if np.any(qu[...,0] < 0.0):
raise ValueError('quaternion with negative first (real) component') raise ValueError('quaternion with negative first (real) component')
if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=0.0)): if not np.allclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=0.0):
raise ValueError('quaternion is not of unit length') raise ValueError('quaternion is not of unit length')
return Rotation(qu) return Rotation(qu)
@ -807,7 +807,7 @@ class Rotation:
raise ValueError('invalid shape') raise ValueError('invalid shape')
eu = np.radians(eu) if degrees else eu eu = np.radians(eu) if degrees else eu
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 if np.any(eu < 0.0) or np.any(eu > np.pi*np.array([2,1,2])):
raise ValueError('Euler angles outside of [0..2π],[0..π],[0..2π]') raise ValueError('Euler angles outside of [0..2π],[0..π],[0..2π]')
return Rotation(Rotation._eu2qu(eu)) return Rotation(Rotation._eu2qu(eu))
@ -841,11 +841,10 @@ class Rotation:
ax[...,0:3] *= -P ax[...,0:3] *= -P
if degrees: ax[..., 3] = np.radians(ax[...,3]) if degrees: ax[..., 3] = np.radians(ax[...,3])
if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1,keepdims=True)
if np.any(ax[...,3] < 0.0) or np.any(ax[...,3] > np.pi): if np.any(ax[...,3] < 0.0) or np.any(ax[...,3] > np.pi):
raise ValueError('axis–angle rotation angle outside of [0..π]') raise ValueError('axis–angle rotation angle outside of [0..π]')
if not np.all(np.isclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0)): if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1,keepdims=True)
print(np.linalg.norm(ax[...,0:3],axis=-1)) elif not np.allclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0):
raise ValueError('axis–angle rotation axis is not of unit length') raise ValueError('axis–angle rotation axis is not of unit length')
return Rotation(Rotation._ax2qu(ax)) return Rotation(Rotation._ax2qu(ax))
@ -877,12 +876,12 @@ class Rotation:
if not orthonormal: if not orthonormal:
(U,S,Vh) = np.linalg.svd(om) # singular value decomposition (U,S,Vh) = np.linalg.svd(om) # singular value decomposition
om = np.einsum('...ij,...jl',U,Vh) om = np.einsum('...ij,...jl',U,Vh)
if not np.all(np.isclose(np.linalg.det(om),1.0)): elif not np.allclose(np.einsum('...i,...i',om[...,0],om[...,1]), 0.0) \
raise ValueError('orientation matrix has determinant ≠ 1') or not np.allclose(np.einsum('...i,...i',om[...,1],om[...,2]), 0.0) \
if not np.all(np.isclose(np.einsum('...i,...i',om[...,0],om[...,1]), 0.0)) \ or not np.allclose(np.einsum('...i,...i',om[...,2],om[...,0]), 0.0):
or not np.all(np.isclose(np.einsum('...i,...i',om[...,1],om[...,2]), 0.0)) \
or not np.all(np.isclose(np.einsum('...i,...i',om[...,2],om[...,0]), 0.0)):
raise ValueError('orientation matrix is not orthogonal') raise ValueError('orientation matrix is not orthogonal')
if not np.allclose(np.linalg.det(om),1.0):
raise ValueError('orientation matrix has determinant ≠ 1')
return Rotation(Rotation._om2qu(om)) return Rotation(Rotation._om2qu(om))
@ -952,10 +951,10 @@ class Rotation:
raise ValueError('P ∉ {-1,1}') raise ValueError('P ∉ {-1,1}')
ro[...,0:3] *= -P ro[...,0:3] *= -P
if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True)
if np.any(ro[...,3] < 0.0): if np.any(ro[...,3] < 0.0):
raise ValueError('Rodrigues vector rotation angle is negative') raise ValueError('Rodrigues vector rotation angle is negative')
if not np.all(np.isclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0)): if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True)
elif not np.allclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0):
raise ValueError('Rodrigues vector rotation axis is not of unit length') raise ValueError('Rodrigues vector rotation axis is not of unit length')
return Rotation(Rotation._ro2qu(ro)) return Rotation(Rotation._ro2qu(ro))

6
python/tests/test_Rotation.py
View File

@ -899,9 +899,10 @@ class TestRotation:
assert np.allclose(rot_broadcast.quaternion[...,i,:], rot.quaternion) assert np.allclose(rot_broadcast.quaternion[...,i,:], rot.quaternion)
@pytest.mark.parametrize('function,invalid',[(Rotation.from_quaternion, np.array([-1,0,0,0])), @pytest.mark.parametrize('function,invalid',[(Rotation.from_quaternion, np.array([-1,0,0,0])),
(Rotation.from_quaternion, np.array([1,1,1,0])), (Rotation.from_quaternion, np.array([1,1,1,0])),
(Rotation.from_Euler_angles, np.array([1,4,0])), (Rotation.from_Euler_angles, np.array([1,4,0])),
(Rotation.from_Euler_angles, np.array([-1,0,0])),
(Rotation.from_axis_angle, np.array([1,0,0,4])), (Rotation.from_axis_angle, np.array([1,0,0,4])),
(Rotation.from_axis_angle, np.array([1,1,0,1])), (Rotation.from_axis_angle, np.array([1,1,0,1])),
(Rotation.from_matrix, np.random.rand(3,3)), (Rotation.from_matrix, np.random.rand(3,3)),
@ -909,7 +910,8 @@ class TestRotation:
(Rotation.from_Rodrigues_vector, np.array([1,0,0,-1])), (Rotation.from_Rodrigues_vector, np.array([1,0,0,-1])),
(Rotation.from_Rodrigues_vector, np.array([1,1,0,1])), (Rotation.from_Rodrigues_vector, np.array([1,1,0,1])),
(Rotation.from_homochoric, np.array([2,2,2])), (Rotation.from_homochoric, np.array([2,2,2])),
(Rotation.from_cubochoric, np.array([1.1,0,0])) ]) (Rotation.from_cubochoric, np.array([1.1,0,0])),
])
def test_invalid_value(self,function,invalid): def test_invalid_value(self,function,invalid):
with pytest.raises(ValueError): with pytest.raises(ValueError):
function(invalid) function(invalid)