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DAMASK_EICMD
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all seems to work now

This commit is contained in:
Martin Diehl 2020-05-20 09:01:38 +02:00
parent 1d8903bb0c
commit 9694767997
2 changed files with 7 additions and 7 deletions
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8
python/damask/_rotation.py
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@ -694,7 +694,7 @@ class Rotation:
@staticmethod @staticmethod
def om2ax(om): def om2ax(om):
"""Rotation matrix to axis angle pair.""" """Rotation matrix to axis angle pair."""
return Rotation.qu2ax(Rotation.om2qu(om)) # HOTFIX #return Rotation.qu2ax(Rotation.om2qu(om)) # HOTFIX
diag_delta = -_P*np.block([om[...,1,2:3]-om[...,2,1:2], diag_delta = -_P*np.block([om[...,1,2:3]-om[...,2,1:2],
om[...,2,0:1]-om[...,0,2:3], om[...,2,0:1]-om[...,0,2:3],
om[...,0,1:2]-om[...,1,0:1] om[...,0,1:2]-om[...,1,0:1]
@ -878,14 +878,14 @@ class Rotation:
ax = np.where(np.isfinite(ro[...,3:4]), ax = np.where(np.isfinite(ro[...,3:4]),
np.block([ro[...,0:3]*np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True),2.*np.arctan(ro[...,3:4])]), np.block([ro[...,0:3]*np.linalg.norm(ro[...,0:3],axis=-1,keepdims=True),2.*np.arctan(ro[...,3:4])]),
np.block([ro[...,0:3],np.broadcast_to(np.pi,ro[...,3:4].shape)])) np.block([ro[...,0:3],np.broadcast_to(np.pi,ro[...,3:4].shape)]))
ax[np.abs(ro[...,3]) < 1.e-6] = np.array([ 0.0, 0.0, 1.0, 0.0 ]) ax[np.abs(ro[...,3]) < 1.e-8] = np.array([ 0.0, 0.0, 1.0, 0.0 ])
return ax return ax
@staticmethod @staticmethod
def ro2ho(ro): def ro2ho(ro):
"""Rodrigues-Frank vector to homochoric vector.""" """Rodrigues-Frank vector to homochoric vector."""
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) 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)
ho = np.where(np.broadcast_to(np.sum(ro[...,0:3]**2.0,axis=-1,keepdims=True) < 1.e-6,ro[...,0:3].shape), ho = np.where(np.broadcast_to(np.sum(ro[...,0:3]**2.0,axis=-1,keepdims=True) < 1.e-8,ro[...,0:3].shape),
np.zeros(3), ro[...,0:3]* (0.75*f)**(1.0/3.0)) np.zeros(3), ro[...,0:3]* (0.75*f)**(1.0/3.0))
return ho return ho
@ -929,7 +929,7 @@ class Rotation:
hm *= hmag_squared hm *= hmag_squared
s += tfit[i] * hm s += tfit[i] * hm
with np.errstate(invalid='ignore'): with np.errstate(invalid='ignore'):
ax = np.where(np.broadcast_to(np.abs(hmag_squared)<1.e-6,ho.shape[:-1]+(4,)), ax = np.where(np.broadcast_to(np.abs(hmag_squared)<1.e-8,ho.shape[:-1]+(4,)),
[ 0.0, 0.0, 1.0, 0.0 ], [ 0.0, 0.0, 1.0, 0.0 ],
np.block([ho/np.sqrt(hmag_squared),2.0*np.arccos(np.clip(s,-1.0,1.0))])) np.block([ho/np.sqrt(hmag_squared),2.0*np.arccos(np.clip(s,-1.0,1.0))]))
return ax return ax

6
python/tests/rotation_conversion.py
View File

@ -147,7 +147,7 @@ def om2eu(om):
def om2ax(om): def om2ax(om):
"""Rotation matrix to axis angle pair.""" """Rotation matrix to axis angle pair."""
return qu2ax(om2qu(om)) # HOTFIX #return qu2ax(om2qu(om)) # HOTFIX
ax=np.empty(4) ax=np.empty(4)
# first get the rotation angle # first get the rotation angle
@ -262,7 +262,7 @@ def ax2ho(ax):
#---------- Rodrigues-Frank vector ---------- #---------- Rodrigues-Frank vector ----------
def ro2ax(ro): def ro2ax(ro):
"""Rodrigues-Frank vector to axis angle pair.""" """Rodrigues-Frank vector to axis angle pair."""
if np.abs(ro[3]) < 1.e-6: if np.abs(ro[3]) < 1.e-8:
ax = np.array([ 0.0, 0.0, 1.0, 0.0 ]) ax = np.array([ 0.0, 0.0, 1.0, 0.0 ])
elif not np.isfinite(ro[3]): elif not np.isfinite(ro[3]):
ax = np.array([ ro[0], ro[1], ro[2], np.pi ]) ax = np.array([ ro[0], ro[1], ro[2], np.pi ])
@ -274,7 +274,7 @@ def ro2ax(ro):
def ro2ho(ro): def ro2ho(ro):
"""Rodrigues-Frank vector to homochoric vector.""" """Rodrigues-Frank vector to homochoric vector."""
if np.sum(ro[0:3]**2.0) < 1.e-6: if np.sum(ro[0:3]**2.0) < 1.e-8:
ho = np.zeros(3) ho = np.zeros(3)
else: else:
f = 2.0*np.arctan(ro[3]) -np.sin(2.0*np.arctan(ro[3])) if np.isfinite(ro[3]) else np.pi f = 2.0*np.arctan(ro[3]) -np.sin(2.0*np.arctan(ro[3])) if np.isfinite(ro[3]) else np.pi