fix for vectorized from_random
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Martin Diehl
parent
23fc58699f
commit
ae3eca5f98
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@ -265,9 +265,9 @@ class Rotation:
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qu[qu[...,0] < 0.0] *= -1
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else:
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if np.any(qu[...,0] < 0.0):
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raise ValueError('Quaternions need to have positive first(real) component.')
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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)):
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raise ValueError('Quaternions need to have unit length.')
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raise ValueError('Quaternion is not of unit length.')
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return Rotation(qu)
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@ -279,7 +279,7 @@ class Rotation:
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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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raise ValueError('Euler angles need to be in [0..2π],[0..π],[0..2π].')
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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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@ -315,11 +315,11 @@ class Rotation:
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(U,S,Vh) = np.linalg.svd(om) # singular value decomposition
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om = np.einsum('...ij,...jl->...il',U,Vh)
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if not np.all(np.isclose(np.linalg.det(om),1.0)):
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raise ValueError('matrix is not a proper rotation: {}.'.format(om))
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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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raise ValueError('matrix is not orthogonal.')
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raise ValueError('Orientation matrix is not orthogonal.')
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return Rotation(Rotation.om2qu(om))
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@ -338,9 +338,9 @@ class Rotation:
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if P > 0: ro[...,0:3] *= -1 # convert from P=1 to P=-1
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if normalise: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1)
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if np.any(ro[...,3] < 0.0):
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raise ValueError('Rodrigues rotation angle not positive.')
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raise ValueError('Rodrigues vector rotation angle not positive.')
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if not np.all(np.isclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0)):
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raise ValueError('Rodrigues rotation axis is not of unit length.')
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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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@ -353,7 +353,7 @@ class Rotation:
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if P > 0: ho *= -1 # convert from P=1 to P=-1
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if np.any(np.linalg.norm(ho,axis=-1) > (3.*np.pi/4.)**(1./3.)+1e-9):
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raise ValueError('Coordinate outside of the sphere.')
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raise ValueError('Homochoric coordinate outside of the sphere.')
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return Rotation(Rotation.ho2qu(ho))
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@ -364,7 +364,7 @@ class Rotation:
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cu = np.array(cubochoric,dtype=float)
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if np.abs(np.max(cu))>np.pi**(2./3.) * 0.5+1e-9:
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raise ValueError('Coordinate outside of the cube: {} {} {}.'.format(*cu))
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raise ValueError('Cubochoric coordinate outside of the cube: {} {} {}.'.format(*cu))
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ho = Rotation.cu2ho(cu)
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if P > 0: ho *= -1 # convert from P=1 to P=-1
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@ -408,14 +408,20 @@ class Rotation:
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def from_random(shape=None):
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if shape is None:
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r = np.random.random(3)
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else:
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elif hasattr(shape, '__iter__'):
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r = np.random.random(tuple(shape)+(3,))
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else:
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r = np.random.random((shape,3))
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A = np.sqrt(r[...,2])
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B = np.sqrt(1.0-r[...,2])
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return Rotation(np.block([np.cos(2.0*np.pi*r[...,0])*A,
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np.sin(2.0*np.pi*r[...,1])*B,
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np.cos(2.0*np.pi*r[...,1])*B,
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np.sin(2.0*np.pi*r[...,0])*A])).standardize()
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q = np.stack([np.cos(2.0*np.pi*r[...,0])*A,
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np.sin(2.0*np.pi*r[...,1])*B,
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np.cos(2.0*np.pi*r[...,1])*B,
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np.sin(2.0*np.pi*r[...,0])*A],axis=-1)
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return Rotation(q.reshape(r.shape[:-1]+(4,)) if shape is not None else q).standardize()
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# for compatibility (old names do not follow convention)
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fromQuaternion = from_quaternion
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@ -820,12 +826,11 @@ class Rotation:
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c = np.cos(ax[3]*0.5)
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s = np.sin(ax[3]*0.5)
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qu = np.array([ c, ax[0]*s, ax[1]*s, ax[2]*s ])
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return qu
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else:
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c = np.cos(ax[...,3:4]*.5)
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s = np.sin(ax[...,3:4]*.5)
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qu = np.where(np.abs(ax[...,3:4])<1.e-6,[1.0, 0.0, 0.0, 0.0],np.block([c, ax[...,:3]*s]))
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return qu
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return qu
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@staticmethod
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def ax2om(ax):
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@ -871,7 +876,7 @@ class Rotation:
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# 180 degree case
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ro += [np.inf] if np.isclose(ax[3],np.pi,atol=1.0e-15,rtol=0.0) else \
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[np.tan(ax[3]*0.5)]
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return np.array(ro)
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ro = np.array(ro)
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else:
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ro = np.block([ax[...,:3],
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np.where(np.isclose(ax[...,3:4],np.pi,atol=1.e-15,rtol=.0),
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@ -879,7 +884,7 @@ class Rotation:
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np.tan(ax[...,3:4]*0.5))
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])
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ro[np.abs(ax[...,3])<1.e-6] = [.0,.0,_P,.0]
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return ro
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return ro
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@staticmethod
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def ax2ho(ax):
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@ -887,11 +892,10 @@ class Rotation:
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if len(ax.shape) == 1:
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f = (0.75 * ( ax[3] - np.sin(ax[3]) ))**(1.0/3.0)
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ho = ax[0:3] * f
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return ho
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else:
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f = (0.75 * ( ax[...,3:4] - np.sin(ax[...,3:4]) ))**(1.0/3.0)
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ho = ax[...,:3] * f
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return ho
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return ho
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@staticmethod
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def ax2cu(ax):
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@ -948,7 +952,6 @@ class Rotation:
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f = np.where(np.isfinite(ro[...,3:4]),2.0*np.arctan(ro[...,3:4]) -np.sin(2.0*np.arctan(ro[...,3:4])),np.pi)
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ho = np.where(np.broadcast_to(np.sum(ro[...,0:3]**2.0,axis=-1,keepdims=True) < 1.e-6,ro[...,0:3].shape),
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np.zeros(3), ro[...,0:3]* (0.75*f)**(1.0/3.0))
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return ho
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@staticmethod
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