223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'shaped-rotation-application' into 'development' 

Shaped rotation application

See merge request damask/DAMASK!819
This commit is contained in:
Martin Diehl 2023-09-24 18:49:41 +00:00
parent a99daf5e14 23c6270d4a
commit 5b6aeaf4b3
6 changed files with 126 additions and 47 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
python/damask/_orientation.py
View File

@ -804,7 +804,7 @@ class Orientation(Rotation,Crystal):
blend += sym_ops.shape
v = sym_ops.broadcast_to(shape) \
@ np.broadcast_to(v.reshape(util.shapeshifter(v.shape,shape+(3,))),shape+(3,))
return ~(self.broadcast_to(blend))@ np.broadcast_to(v,blend+(3,))
return ~(self.broadcast_to(blend))@np.broadcast_to(v,blend+(3,))
def Schmid(self, *,
@ -833,7 +833,7 @@ class Orientation(Rotation,Crystal):
>>> import damask
>>> np.set_printoptions(3,suppress=True,floatmode='fixed')
>>> O = damask.Orientation.from_Euler_angles(phi=[0,45,0],degrees=True,lattice='cF')
>>> O.Schmid(N_slip=[1])
>>> O.Schmid(N_slip=[12])[0]
array([[ 0.000, 0.000, 0.000],
[ 0.577, -0.000, 0.816],
[ 0.000, 0.000, 0.000]])

89
python/damask/_rotation.py
View File

@ -375,6 +375,11 @@ class Rotation:
Return self@other.
Rotate vector, second-order tensor, or fourth-order tensor.
`other` is interpreted as an array of tensor quantities with the highest-possible order
considering the shape of `self`. Compatible innermost dimensions will blend.
For instance, shapes of (2,) and (3,3) for `self` and `other` prompt interpretation of
`other` as a second-rank tensor and result in (2,) rotated tensors, whereas
shapes of (2,1) and (3,3) for `self` and `other` result in (2,3) rotated vectors.
Parameters
----------
@ -386,29 +391,73 @@ class Rotation:
rotated : numpy.ndarray, shape (...,3), (...,3,3), or (...,3,3,3,3)
Rotated vector or tensor, i.e. transformed to frame defined by rotation.
Examples
--------
All below examples rely on imported modules:
>>> import numpy as np
>>> import damask
Application of twelve (random) rotations to a set of five vectors.
>>> r = damask.Rotation.from_random(shape=(12))
>>> o = np.ones((5,3))
>>> (r@o).shape # (12) @ (5, 3)
(12,5, 3)
Application of a (random) rotation to all twelve second-rank tensors.
>>> r = damask.Rotation.from_random()
>>> o = np.ones((12,3,3))
>>> (r@o).shape # (1) @ (12, 3,3)
(12,3,3)
Application of twelve (random) rotations to the corresponding twelve second-rank tensors.
>>> r = damask.Rotation.from_random(shape=(12))
>>> o = np.ones((12,3,3))
>>> (r@o).shape # (12) @ (3,3)
(12,3,3)
Application of each of three (random) rotations to all three vectors.
>>> r = damask.Rotation.from_random(shape=(3))
>>> o = np.ones((3,3))
>>> (r[...,np.newaxis]@o[np.newaxis,...]).shape # (3,1) @ (1,3, 3)
(3,3,3)
Application of twelve (random) rotations to all twelve second-rank tensors.
>>> r = damask.Rotation.from_random(shape=(12))
>>> o = np.ones((12,3,3))
>>> (r@o[np.newaxis,...]).shape # (12) @ (1,12, 3,3)
(12,3,3,3)
"""
if isinstance(other, np.ndarray):
if self.shape + (3,) == other.shape:
q_m = self.quaternion[...,0]
p_m = self.quaternion[...,1:]
A = q_m**2 - np.einsum('...i,...i',p_m,p_m)
B = 2. * np.einsum('...i,...i',p_m,other)
C = 2. * _P * q_m
return np.block([(A * other[...,i]).reshape(self.shape+(1,)) +
(B * p_m[...,i]).reshape(self.shape+(1,)) +
(C * ( p_m[...,(i+1)%3]*other[...,(i+2)%3]\
- p_m[...,(i+2)%3]*other[...,(i+1)%3])).reshape(self.shape+(1,))
for i in [0,1,2]])
if self.shape + (3,3) == other.shape:
R = self.as_matrix()
return np.einsum('...im,...jn,...mn',R,R,other)
if self.shape + (3,3,3,3) == other.shape:
R = self.as_matrix()
return np.einsum('...im,...jn,...ko,...lp,...mnop',R,R,R,R,other)
else:
raise ValueError('can only rotate vectors, second-order tensors, and fourth-order tensors')
obs = util.shapeblender(self.shape,other.shape,keep_ones=False)[len(self.shape):]
for l in [4,2,1]:
if obs[-l:] == l*(3,):
bs = util.shapeblender(self.shape,other.shape[:-l],False)
self_ = self.broadcast_to(bs) if self.shape != bs else self
if l==1:
q_m = self_.quaternion[...,0]
p_m = self_.quaternion[...,1:]
A = q_m**2 - np.einsum('...i,...i',p_m,p_m)
B = 2. * np.einsum('...i,...i',p_m,other)
C = 2. * _P * q_m
return np.block([(A * other[...,i]) +
(B * p_m[...,i]) +
(C * ( p_m[...,(i+1)%3]*other[...,(i+2)%3]
- p_m[...,(i+2)%3]*other[...,(i+1)%3]))
for i in [0,1,2]]).reshape(bs+(3,),order='F')
else:
return np.einsum({2: '...im,...jn,...mn',
4: '...im,...jn,...ko,...lp,...mnop'}[l],
*l*[self_.as_matrix()],
other)
raise ValueError('can only rotate vectors, second-order tensors, and fourth-order tensors')
elif isinstance(other, Rotation):
raise TypeError('use "R1*R2", i.e. multiplication, to compose rotations "R1" and "R2"')
raise TypeError('use "R2*R1", i.e. multiplication, to compose rotations "R1" and "R2"')
else:
raise TypeError(f'cannot rotate "{type(other)}"')

29
python/damask/util.py
View File

@ -512,7 +512,8 @@ def shapeshifter(fro: _Tuple[int, ...],
return tuple(final_shape[::-1] if mode == 'left' else final_shape)
def shapeblender(a: _Tuple[int, ...],
b: _Tuple[int, ...]) -> _Tuple[int, ...]:
b: _Tuple[int, ...],
keep_ones: bool = True) -> _Tuple[int, ...]:
"""
Return a shape that overlaps the rightmost entries of 'a' with the leftmost of 'b'.
@ -522,6 +523,9 @@ def shapeblender(a: _Tuple[int, ...],
Shape of first array.
b : tuple
Shape of second array.
keep_ones : bool, optional
Treat innermost '1's as literal value instead of dimensional placeholder.
Defaults to True.
Examples
--------
@ -531,13 +535,30 @@ def shapeblender(a: _Tuple[int, ...],
(1,2,3)
>>> shapeblender((1,),(2,2,1))
(1,2,2,1)
>>> shapeblender((1,),(2,2,1),False)
(2,2,1)
>>> shapeblender((3,2),(3,2))
(3,2)
"""
i = min(len(a),len(b))
while i > 0 and a[-i:] != b[:i]: i -= 1
return a + b[i:]
def is_broadcastable(a,b):
try:
_np.broadcast_shapes(a,b)
return True
except ValueError:
return False
a_,_b = a,b
if keep_ones:
i = min(len(a_),len(_b))
while i > 0 and a_[-i:] != _b[:i]: i -= 1
return a_ + _b[i:]
else:
a_ += max(0,len(_b)-len(a_))*(1,)
while not is_broadcastable(a_,_b):
a_ = a_ + ((1,) if len(a_)<=len(_b) else ())
_b = ((1,) if len(_b)<len(a_) else ()) + _b
return _np.broadcast_shapes(a_,_b)
def _docstringer(docstring: _Union[str, _Callable],

25
python/tests/test_Orientation.py
View File

@ -162,7 +162,7 @@ class TestOrientation:
([np.arccos(3**(-.5)),np.pi/4,0],[0,0],[0,0,1],[0,0,1])])
def test_fiber_IPF(self,crystal,sample,direction,color):
fiber = Orientation.from_fiber_component(crystal=crystal,sample=sample,family='cubic',shape=200)
print(np.allclose(fiber.IPF_color(direction),color))
assert np.allclose(fiber.IPF_color(direction),color)
@pytest.mark.parametrize('kwargs',[
@ -455,11 +455,9 @@ class TestOrientation:
p = Orientation.from_random(family=family,shape=right)
blend = util.shapeblender(o.shape,p.shape)
for loc in np.random.randint(0,blend,(10,len(blend))):
# print(f'{a}/{b} @ {loc}')
# print(o[tuple(loc[:len(o.shape)])].disorientation(p[tuple(loc[-len(p.shape):])]))
# print(o.disorientation(p)[tuple(loc)])
assert o[tuple(loc[:len(o.shape)])].disorientation(p[tuple(loc[-len(p.shape):])]) \
.isclose(o.disorientation(p)[tuple(loc)])
l = () if left is None else tuple(np.minimum(np.array(left )-1,loc[:len(left)]))
r = () if right is None else tuple(np.minimum(np.array(right)-1,loc[-len(right):]))
assert o[l].disorientation(p[r]).isclose(o.disorientation(p)[tuple(loc)])
@pytest.mark.parametrize('family',crystal_families)
@pytest.mark.parametrize('left,right',[
@ -467,13 +465,16 @@ class TestOrientation:
((2,2),(4,4)),
((3,1),(1,3)),
(None,(3,)),
(None,()),
])
def test_IPF_color_blending(self,family,left,right):
o = Orientation.from_random(family=family,shape=left)
v = np.random.random(right+(3,))
blend = util.shapeblender(o.shape,v.shape[:-1])
for loc in np.random.randint(0,blend,(10,len(blend))):
assert np.allclose(o[tuple(loc[:len(o.shape)])].IPF_color(v[tuple(loc[-len(v.shape[:-1]):])]),
l = () if left is None else tuple(np.minimum(np.array(left )-1,loc[:len(left)]))
r = () if right is None else tuple(np.minimum(np.array(right)-1,loc[-len(right):]))
assert np.allclose(o[l].IPF_color(v[r]),
o.IPF_color(v)[tuple(loc)])
@pytest.mark.parametrize('family',crystal_families)
@ -488,7 +489,9 @@ class TestOrientation:
v = np.random.random(right+(3,))
blend = util.shapeblender(o.shape,v.shape[:-1])
for loc in np.random.randint(0,blend,(10,len(blend))):
assert np.allclose(o[tuple(loc[:len(o.shape)])].to_SST(v[tuple(loc[-len(v.shape[:-1]):])]),
l = () if left is None else tuple(np.minimum(np.array(left )-1,loc[:len(left)]))
r = () if right is None else tuple(np.minimum(np.array(right)-1,loc[-len(right):]))
assert np.allclose(o[l].to_SST(v[r]),
o.to_SST(v)[tuple(loc)])
@pytest.mark.parametrize('lattice,a,b,c,alpha,beta,gamma',
@ -514,8 +517,10 @@ class TestOrientation:
v = np.random.random(right+(3,))
blend = util.shapeblender(o.shape,v.shape[:-1])
for loc in np.random.randint(0,blend,(10,len(blend))):
assert np.allclose(o[tuple(loc[:len(o.shape)])].to_pole(uvw=v[tuple(loc[-len(v.shape[:-1]):])]),
o.to_pole(uvw=v)[tuple(loc)])
l = () if left is None else tuple(np.minimum(np.array(left )-1,loc[:len(left)]))
r = () if right is None else tuple(np.minimum(np.array(right)-1,loc[-len(right):]))
assert np.allclose(o[l].to_pole(uvw=v[r]),
o.to_pole(uvw=v)[tuple(loc)])
def test_mul_invalid(self):
with pytest.raises(TypeError):

2
python/tests/test_Rotation.py
View File

@ -1065,7 +1065,7 @@ class TestRotation:
@pytest.mark.parametrize('data',[np.random.rand(4),
np.random.rand(3,2),
np.random.rand(3,2,3,3)])
np.random.rand(3,3,3,1)])
def test_rotate_invalid_shape(self,data):
R = Rotation.from_random()
with pytest.raises(ValueError):

24
python/tests/test_util.py
View File

@ -128,18 +128,22 @@ class TestUtil:
with pytest.raises(ValueError):
util.shapeshifter(fro,to,mode)
@pytest.mark.parametrize('a,b,answer',
@pytest.mark.parametrize('a,b,ones,answer',
[
((),(1,),(1,)),
((1,),(),(1,)),
((1,),(7,),(1,7)),
((2,),(2,2),(2,2)),
((1,2),(2,2),(1,2,2)),
((1,2,3),(2,3,4),(1,2,3,4)),
((1,2,3),(1,2,3),(1,2,3)),
((),(1,),True,(1,)),
((1,),(),False,(1,)),
((1,1),(7,),False,(1,7)),
((1,),(7,),False,(7,)),
((1,),(7,),True,(1,7)),
((2,),(2,2),False,(2,2)),
((1,2),(2,2),False,(2,2)),
((1,1,2),(2,2),False,(1,2,2)),
((1,1,2),(2,2),True,(1,1,2,2)),
((1,2,3),(2,3,4),False,(1,2,3,4)),
((1,2,3),(1,2,3),False,(1,2,3)),
])
def test_shapeblender(self,a,b,answer):
assert util.shapeblender(a,b) == answer
def test_shapeblender(self,a,b,ones,answer):
assert util.shapeblender(a,b,ones) == answer
@pytest.mark.parametrize('style',[util.emph,util.deemph,util.warn,util.strikeout])
def test_decorate(self,style):