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DAMASK_EICMD
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rely on correct input data

This commit is contained in:
Martin Diehl 2020-05-03 07:23:46 +02:00
parent c7a77ebc26
commit c241eaec15
1 changed files with 7 additions and 13 deletions
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20
python/damask/_rotation.py
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@ -1061,14 +1061,12 @@ class Rotation:
""" """
if len(ho.shape) == 1: if len(ho.shape) == 1:
ho_ = ho/np.linalg.norm(ho)*_R1 if np.isclose(np.linalg.norm(ho),_R1,atol=1e-6) \ rs = np.linalg.norm(ho)
else ho
rs = np.linalg.norm(ho_)
if np.allclose(ho_,0.0,rtol=0.0,atol=1.0e-16): if np.allclose(ho,0.0,rtol=0.0,atol=1.0e-16):
cu = np.zeros(3) cu = np.zeros(3)
else: else:
xyz3 = ho_[Rotation._get_order(ho_,'forward')] xyz3 = ho[Rotation._get_order(ho,'forward')]
# inverse M_3 # inverse M_3
xyz2 = xyz3[0:2] * np.sqrt( 2.0*rs/(rs+np.abs(xyz3[2])) ) xyz2 = xyz3[0:2] * np.sqrt( 2.0*rs/(rs+np.abs(xyz3[2])) )
@ -1090,7 +1088,7 @@ class Rotation:
# inverse M_1 # inverse M_1
cu = np.array([ Tinv[0], Tinv[1], (-1.0 if xyz3[2] < 0.0 else 1.0) * rs / np.sqrt(6.0/np.pi) ]) /_sc cu = np.array([ Tinv[0], Tinv[1], (-1.0 if xyz3[2] < 0.0 else 1.0) * rs / np.sqrt(6.0/np.pi) ]) /_sc
# reverse the coordinates back to the regular order according to the original pyramid number # reverse the coordinates back to the regular order according to the original pyramid number
cu = cu[Rotation._get_order(ho_,'backward')] cu = cu[Rotation._get_order(ho,'backward')]
return cu return cu
else: else:
@ -1135,16 +1133,12 @@ class Rotation:
""" """
if len(cu.shape) == 1: if len(cu.shape) == 1:
cu_ = np.clip(cu,None,np.pi**(2./3.) * 0.5) if np.isclose(np.abs(np.max(cu)),np.pi**(2./3.) * 0.5,atol=1e-6) \
else cu
# transform to the sphere grid via the curved square, and intercept the zero point # transform to the sphere grid via the curved square, and intercept the zero point
if np.allclose(cu_,0.0,rtol=0.0,atol=1.0e-16): if np.allclose(cu,0.0,rtol=0.0,atol=1.0e-16):
ho = np.zeros(3) ho = np.zeros(3)
else: else:
# get pyramide and scale by grid parameter ratio # get pyramide and scale by grid parameter ratio
XYZ = cu_[Rotation._get_order(cu_,'forward')] * _sc XYZ = cu[Rotation._get_order(cu,'forward')] * _sc
# intercept all the points along the z-axis # intercept all the points along the z-axis
if np.allclose(XYZ[0:2],0.0,rtol=0.0,atol=1.0e-16): if np.allclose(XYZ[0:2],0.0,rtol=0.0,atol=1.0e-16):
@ -1166,7 +1160,7 @@ class Rotation:
ho = np.array([ T[order[1]] * q, T[order[0]] * q, np.sqrt(6.0/np.pi) * XYZ[2] - c ]) ho = np.array([ T[order[1]] * q, T[order[0]] * q, np.sqrt(6.0/np.pi) * XYZ[2] - c ])
# reverse the coordinates back to the regular order according to the original pyramid number # reverse the coordinates back to the regular order according to the original pyramid number
ho = ho[Rotation._get_order(cu_,'backward')] ho = ho[Rotation._get_order(cu,'backward')]
return ho return ho
else: else: