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DAMASK_EICMD
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simpler/correct logic for eu2om

This commit is contained in:
Martin Diehl 2020-04-11 11:36:37 +02:00
parent bab3581b11
commit 3bfa2d679c
2 changed files with 17 additions and 18 deletions
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16
python/damask/_rotation.py
View File

@ -474,9 +474,9 @@ class Rotation:
q03 = qu[0]**2+qu[3]**2 q03 = qu[0]**2+qu[3]**2
q12 = qu[1]**2+qu[2]**2 q12 = qu[1]**2+qu[2]**2
chi = np.sqrt(q03*q12) chi = np.sqrt(q03*q12)
if np.abs(chi)< 1.e-6: if np.abs(q12) < 1.e-6:
eu = np.array([np.arctan2(-P*2.0*qu[0]*qu[3],qu[0]**2-qu[3]**2), 0.0, 0.0]) eu = np.array([np.arctan2(-P*2.0*qu[0]*qu[3],qu[0]**2-qu[3]**2), 0.0, 0.0])
elif np.abs(q12)< 1.e-6: elif np.abs(q03) < 1.e-6:
eu = np.array([np.arctan2( 2.0*qu[1]*qu[2],qu[1]**2-qu[2]**2), np.pi, 0.0]) eu = np.array([np.arctan2( 2.0*qu[1]*qu[2],qu[1]**2-qu[2]**2), np.pi, 0.0])
else: else:
eu = np.array([np.arctan2((-P*qu[0]*qu[2]+qu[1]*qu[3])*chi, (-P*qu[0]*qu[1]-qu[2]*qu[3])*chi ), eu = np.array([np.arctan2((-P*qu[0]*qu[2]+qu[1]*qu[3])*chi, (-P*qu[0]*qu[1]-qu[2]*qu[3])*chi ),
@ -491,14 +491,14 @@ class Rotation:
q12_s = qu[...,1:2]**2+qu[...,2:3]**2 q12_s = qu[...,1:2]**2+qu[...,2:3]**2
chi = np.sqrt(q03_s*q12_s) chi = np.sqrt(q03_s*q12_s)
eu = np.where(np.abs(chi) < 1.0e-6, eu = np.where(np.abs(q12_s) < 1.0e-6,
np.block([np.arctan2(-P*2.0*qu[...,0:1]*qu[...,3:4],qu[...,0:1]**2-qu[...,3:4]**2), np.block([np.arctan2(-P*2.0*qu[...,0:1]*qu[...,3:4],qu[...,0:1]**2-qu[...,3:4]**2),
np.zeros(qu.shape[:-1]+(2,))]), np.zeros(qu.shape[:-1]+(2,))]),
np.block([np.arctan2((-P*q02+q13)*chi, (-P*q01-q23)*chi), np.block([np.arctan2((-P*q02+q13)*chi, (-P*q01-q23)*chi),
np.arctan2( 2.0*chi, q03_s-q12_s ), np.arctan2( 2.0*chi, q03_s-q12_s ),
np.arctan2(( P*q02+q13)*chi, (-P*q01+q23)*chi)]) np.arctan2(( P*q02+q13)*chi, (-P*q01+q23)*chi)])
) )
eu = np.where(np.logical_and(np.abs(q03_s) < 1.0e-6, np.abs(chi) > 1.0e-6), eu = np.where(np.logical_and(np.abs(q03_s) < 1.0e-6, np.abs(q12_s) >= 1.0e-6),
np.block([np.arctan2( 2.0*qu[...,1:2]*qu[...,2:3],qu[...,1:2]**2-qu[...,2:3]**2), np.block([np.arctan2( 2.0*qu[...,1:2]*qu[...,2:3],qu[...,1:2]**2-qu[...,2:3]**2),
np.ones( qu.shape[:-1]+(1,))*np.pi, np.ones( qu.shape[:-1]+(1,))*np.pi,
np.zeros(qu.shape[:-1]+(1,))]), np.zeros(qu.shape[:-1]+(1,))]),
@ -550,7 +550,7 @@ class Rotation:
ro = np.where(np.abs(s) < 1.0e-12, ro = np.where(np.abs(s) < 1.0e-12,
[0.0,0.0,P,0.0], [0.0,0.0,P,0.0],
np.block([qu[...,1:2]/s,qu[...,2:3]/s,qu[...,3:4]/s, np.block([qu[...,1:2]/s,qu[...,2:3]/s,qu[...,3:4]/s,
np.tan(np.arccos(np.clip(qu[:,0:1],-1.0,1.0))) np.tan(np.arccos(np.clip(qu[...,0:1],-1.0,1.0)))
]) ])
) )
ro = np.where(np.abs(qu[...,0:1]) < 1.0e-12, ro = np.where(np.abs(qu[...,0:1]) < 1.0e-12,
@ -776,9 +776,9 @@ class Rotation:
ro[3] = np.tan(ro[3]*0.5) ro[3] = np.tan(ro[3]*0.5)
else: else:
ax = Rotation.eu2ax(eu) ax = Rotation.eu2ax(eu)
ro = np.block([ax[:,:3],np.tan(ax[:,3:4]*.5)]) ro = np.block([ax[...,:3],np.tan(ax[...,3:4]*.5)])
ro[ax[:,3]>=np.pi,3] = np.inf ro[ax[...,3]>=np.pi,3] = np.inf
ro[np.abs(ax[:,3])<1.e-16] = [ 0.0, 0.0, P, 0.0 ] ro[np.abs(ax[...,3])<1.e-16] = [ 0.0, 0.0, P, 0.0 ]
return ro return ro
@staticmethod @staticmethod

11
src/rotations.f90
View File

@ -432,18 +432,17 @@ pure function qu2eu(qu) result(eu)
real(pReal), intent(in), dimension(4) :: qu real(pReal), intent(in), dimension(4) :: qu
real(pReal), dimension(3) :: eu real(pReal), dimension(3) :: eu
real(pReal) :: q12, q03, chi, chiInv real(pReal) :: q12, q03, chi
q03 = qu(1)**2+qu(4)**2 q03 = qu(1)**2+qu(4)**2
q12 = qu(2)**2+qu(3)**2 q12 = qu(2)**2+qu(3)**2
chi = sqrt(q03*q12) chi = sqrt(q03*q12)
degenerated: if (dEq0(chi)) then degenerated: if (dEq0(q12)) then
eu = merge([atan2(-P*2.0_pReal*qu(1)*qu(4),qu(1)**2-qu(4)**2), 0.0_pReal, 0.0_pReal], & eu = [atan2(-P*2.0_pReal*qu(1)*qu(4),qu(1)**2-qu(4)**2), 0.0_pReal, 0.0_pReal]
[atan2( 2.0_pReal*qu(2)*qu(3),qu(2)**2-qu(3)**2), PI, 0.0_pReal], & elseif (dEq0(q03)) then
dEq0(q12)) eu = [atan2( 2.0_pReal*qu(2)*qu(3),qu(2)**2-qu(3)**2), PI, 0.0_pReal]
else degenerated else degenerated
chiInv = 1.0_pReal/chi
eu = [atan2((-P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)-qu(3)*qu(4))*chi ), & eu = [atan2((-P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)-qu(3)*qu(4))*chi ), &
atan2( 2.0_pReal*chi, q03-q12 ), & atan2( 2.0_pReal*chi, q03-q12 ), &
atan2(( P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)+qu(3)*qu(4))*chi )] atan2(( P*qu(1)*qu(3)+qu(2)*qu(4))*chi, (-P*qu(1)*qu(2)+qu(3)*qu(4))*chi )]