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correct in_disorientation_FZ

This commit is contained in:
Philip Eisenlohr 2023-10-06 09:41:36 -04:00
parent 634f9fd1f5
commit 51a35dd17c
1 changed files with 13 additions and 24 deletions
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37
python/damask/_orientation.py
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@ -434,31 +434,20 @@ class Orientation(Rotation,Crystal):
https://doi.org/10.1107/S0108767391006864
"""
with np.errstate(invalid='ignore'):
rho = self.as_Rodrigues_vector(compact=True)
rho_ = rho + np.linalg.norm(rho,axis=-1,keepdims=True)*1e-9
def larger_or_equal(v,c):
return ((np.isclose(c[0],v[...,0]) | (v[...,0] > c[0])) &
(np.isclose(c[1],v[...,1]) | (v[...,1] > c[1])) &
(np.isclose(c[2],v[...,2]) | (v[...,2] > c[2]))).astype(bool)
if self.family == 'cubic':
return ((rho_[...,0] >= rho[...,1]) &
(rho_[...,1] >= rho[...,2]) &
(rho_[...,2] >= 0)).astype(bool)
if self.family == 'hexagonal':
return ((rho_[...,0] >= rho[...,1]*np.sqrt(3)) &
(rho_[...,1] >= 0) &
(rho_[...,2] >= 0)).astype(bool)
if self.family == 'tetragonal':
return ((rho_[...,0] >= rho[...,1]) &
(rho_[...,1] >= 0) &
(rho_[...,2] >= 0)).astype(bool)
if self.family == 'orthorhombic':
return ((rho_[...,0] >= 0) &
(rho_[...,1] >= 0) &
(rho_[...,2] >= 0)).astype(bool)
if self.family == 'monoclinic':
return ((rho_[...,1] >= 0) &
(rho_[...,2] >= 0)).astype(bool)
rho = self.as_Rodrigues_vector(compact=True)
return larger_or_equal(rho,
[rho[...,1], rho[...,2],0] if self.family == 'cubic'
else [rho[...,1]*np.sqrt(3),0, 0] if self.family == 'hexagonal'
else [rho[...,1], 0, 0] if self.family == 'tetragonal'
else [0, 0, 0] if self.family == 'orthorhombic'
else [-np.inf, 0, 0] if self.family == 'monoclinic'
else [-np.inf, -np.inf, -np.inf]) & self.in_FZ
return np.ones_like(rho[...,0],dtype=bool)
def disorientation(self,
other: 'Orientation',
@ -534,7 +523,7 @@ class Orientation(Rotation,Crystal):
forward = r_.in_disorientation_FZ
reverse = _r.in_disorientation_FZ
ok = (forward | reverse) & r_.in_FZ
ok = forward | reverse
ok &= (np.cumsum(ok.reshape((-1,)+blend),axis=0) == 1).reshape(ok.shape)
r = np.where(np.any((ok&forward)[...,np.newaxis],axis=(0,1),keepdims=True),
r_.quaternion,