2020-02-22 04:33:54 +05:30
|
|
|
import pytest
|
|
|
|
import numpy as np
|
2020-11-10 01:50:56 +05:30
|
|
|
from itertools import permutations
|
2020-02-22 04:33:54 +05:30
|
|
|
|
|
|
|
from damask import Rotation
|
|
|
|
from damask import Orientation
|
2020-11-10 01:50:56 +05:30
|
|
|
from damask import Table
|
|
|
|
from damask import util
|
2021-02-10 04:04:51 +05:30
|
|
|
from damask import grid_filters
|
2021-10-30 05:34:09 +05:30
|
|
|
from damask import _crystal
|
2021-05-27 22:40:23 +05:30
|
|
|
|
2021-10-30 05:34:09 +05:30
|
|
|
crystal_families = set(_crystal.lattice_symmetries.values())
|
2020-02-22 04:33:54 +05:30
|
|
|
|
|
|
|
|
|
|
|
@pytest.fixture
|
2020-11-30 01:20:41 +05:30
|
|
|
def ref_path(ref_path_base):
|
2020-02-22 04:33:54 +05:30
|
|
|
"""Directory containing reference results."""
|
2020-11-30 01:20:41 +05:30
|
|
|
return ref_path_base/'Orientation'
|
2020-06-30 22:11:59 +05:30
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.fixture
|
|
|
|
def set_of_rodrigues(set_of_quaternions):
|
2020-11-24 00:36:34 +05:30
|
|
|
return Rotation(set_of_quaternions).as_Rodrigues_vector()
|
2020-06-30 22:11:59 +05:30
|
|
|
|
2020-07-01 19:56:56 +05:30
|
|
|
|
2020-02-22 04:33:54 +05:30
|
|
|
class TestOrientation:
|
2020-07-01 19:56:56 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('shape',[None,5,(4,6)])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_equal(self,family,shape):
|
2020-11-10 01:50:56 +05:30
|
|
|
R = Rotation.from_random(shape)
|
2021-06-02 01:21:28 +05:30
|
|
|
assert Orientation(R,family=family) == Orientation(R,family=family) if shape is None else \
|
|
|
|
(Orientation(R,family=family) == Orientation(R,family=family)).all()
|
2021-01-04 02:19:01 +05:30
|
|
|
|
2020-02-22 04:33:54 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('shape',[None,5,(4,6)])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_unequal(self,family,shape):
|
2020-11-10 01:50:56 +05:30
|
|
|
R = Rotation.from_random(shape)
|
2021-06-02 01:21:28 +05:30
|
|
|
assert not ( Orientation(R,family=family) != Orientation(R,family=family) if shape is None else \
|
|
|
|
(Orientation(R,family=family) != Orientation(R,family=family)).any())
|
2020-02-22 04:33:54 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2021-04-07 02:19:08 +05:30
|
|
|
@pytest.mark.parametrize('shape',[None,5,(4,6)])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_close(self,family,shape):
|
|
|
|
R = Orientation.from_random(family=family,shape=shape)
|
2021-04-07 02:19:08 +05:30
|
|
|
assert R.isclose(R.reduced).all() and R.allclose(R.reduced)
|
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('a,b',[
|
2021-06-02 01:21:28 +05:30
|
|
|
(dict(rotation=[1,0,0,0],family='triclinic'),
|
|
|
|
dict(rotation=[0.5,0.5,0.5,0.5],family='triclinic')),
|
2020-02-22 04:33:54 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
(dict(rotation=[1,0,0,0],family='cubic'),
|
|
|
|
dict(rotation=[1,0,0,0],family='hexagonal')),
|
|
|
|
])
|
|
|
|
def test_unequal_family(self,a,b):
|
|
|
|
assert Orientation(**a) != Orientation(**b)
|
2020-11-10 01:50:56 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('a,b',[
|
2020-11-10 01:50:56 +05:30
|
|
|
(dict(rotation=[1,0,0,0],lattice='cF',a=1),
|
|
|
|
dict(rotation=[1,0,0,0],lattice='cF',a=2)),
|
|
|
|
])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_unequal_lattice(self,a,b):
|
2020-11-10 01:50:56 +05:30
|
|
|
assert Orientation(**a) != Orientation(**b)
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('kwargs',[
|
|
|
|
dict(lattice='aP', alpha=np.pi/4,beta=np.pi/3, ),
|
|
|
|
dict(lattice='mP', c=1.2,alpha=np.pi/4, gamma=np.pi/2),
|
|
|
|
dict(lattice='oP', c=1.2,alpha=np.pi/4, ),
|
|
|
|
dict(lattice='oS',a=1.0, c=2.0,alpha=np.pi/2,beta=np.pi/3, ),
|
|
|
|
dict(lattice='tP',a=1.0,b=1.2, ),
|
|
|
|
dict(lattice='tI', alpha=np.pi/3, ),
|
|
|
|
dict(lattice='hP', gamma=np.pi/2),
|
|
|
|
dict(lattice='cI',a=1.0, c=2.0,alpha=np.pi/2,beta=np.pi/2, ),
|
|
|
|
dict(lattice='cF', beta=np.pi/3, ),
|
|
|
|
])
|
|
|
|
def test_invalid_init(self,kwargs):
|
|
|
|
with pytest.raises(ValueError):
|
2021-06-03 13:32:49 +05:30
|
|
|
Orientation(**kwargs)
|
2020-11-10 01:50:56 +05:30
|
|
|
|
2021-08-16 22:53:31 +05:30
|
|
|
@pytest.mark.parametrize('invalid_family',[None,'fcc','bcc','hello'])
|
|
|
|
def test_invalid_family_init(self,invalid_family):
|
|
|
|
with pytest.raises(KeyError):
|
|
|
|
Orientation(family=invalid_family)
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('invalid_lattice',[None,'fcc','bcc','hello'])
|
2021-08-16 23:10:10 +05:30
|
|
|
def test_invalid_lattice_init(self,invalid_lattice):
|
2021-08-16 22:53:31 +05:30
|
|
|
with pytest.raises(KeyError):
|
|
|
|
Orientation(lattice=invalid_lattice)
|
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('kwargs',[
|
|
|
|
dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4,beta=np.pi/3,gamma=np.pi/2),
|
|
|
|
dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3 ),
|
|
|
|
dict(lattice='oS',a=1.0,b=1.1,c=1.2, ),
|
|
|
|
dict(lattice='tI',a=1.0, c=1.2, ),
|
|
|
|
dict(lattice='hP',a=1.0 ),
|
|
|
|
dict(lattice='cI',a=1.0, ),
|
|
|
|
])
|
|
|
|
def test_repr(self,kwargs):
|
|
|
|
o = Orientation.from_random(**kwargs)
|
|
|
|
assert isinstance(o.__repr__(),str)
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('kwargs',[
|
|
|
|
dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4,beta=np.pi/3,gamma=np.pi/2),
|
|
|
|
dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3 ),
|
|
|
|
dict(lattice='oS',a=1.0,b=1.1,c=1.2, ),
|
|
|
|
dict(lattice='tI',a=1.0, c=1.2, ),
|
|
|
|
dict(lattice='hP',a=1.0 ),
|
|
|
|
dict(lattice='cI',a=1.0, ),
|
|
|
|
])
|
|
|
|
def test_copy(self,kwargs):
|
|
|
|
o = Orientation.from_random(**kwargs)
|
|
|
|
p = o.copy(rotation=Rotation.from_random())
|
|
|
|
assert o != p
|
|
|
|
|
|
|
|
def test_from_quaternion(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_quaternion(q=np.array([1,0,0,0]),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
2020-11-18 03:26:22 +05:30
|
|
|
def test_from_Euler_angles(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_Euler_angles(phi=np.zeros(3),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_axis_angle(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_axis_angle(axis_angle=[1,0,0,0],family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_basis(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_basis(basis=np.eye(3),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_matrix(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_matrix(R=np.eye(3),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
2020-11-18 03:26:22 +05:30
|
|
|
def test_from_Rodrigues_vector(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_Rodrigues_vector(rho=np.array([0,0,1,0]),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_homochoric(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_homochoric(h=np.zeros(3),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_cubochoric(self):
|
2021-06-02 01:21:28 +05:30
|
|
|
assert np.all(Orientation.from_cubochoric(x=np.zeros(3),family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_spherical_component(self):
|
|
|
|
assert np.all(Orientation.from_spherical_component(center=Rotation(),
|
2022-03-15 01:54:05 +05:30
|
|
|
sigma=0.0,shape=1,family='triclinic').as_matrix()
|
2020-11-10 01:50:56 +05:30
|
|
|
== np.eye(3))
|
|
|
|
|
|
|
|
def test_from_fiber_component(self):
|
2022-04-27 20:55:39 +05:30
|
|
|
crystal = np.random.rand(2) * [180,360]
|
|
|
|
sample = np.random.rand(2) * [180,360]
|
|
|
|
r = Rotation.from_fiber_component(crystal=crystal,sample=sample,
|
2022-03-15 01:54:05 +05:30
|
|
|
sigma=0.0,shape=1,rng_seed=0)
|
2022-04-27 20:55:39 +05:30
|
|
|
assert np.all(Orientation.from_fiber_component(crystal=crystal,sample=sample,
|
|
|
|
sigma=0.0,shape=None,rng_seed=0,lattice='cI').quaternion
|
2020-11-10 01:50:56 +05:30
|
|
|
== r.quaternion)
|
|
|
|
|
2022-05-09 02:52:03 +05:30
|
|
|
@pytest.mark.parametrize('crystal,sample,direction,color',[([np.pi/4,0],[np.pi/2,0],[1,0,0],[0,1,0]),
|
|
|
|
([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))
|
|
|
|
|
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('kwargs',[
|
|
|
|
dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4.5,beta=np.pi/3.5,gamma=np.pi/2.5),
|
|
|
|
dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3.5),
|
|
|
|
dict(lattice='oS',a=1.0,b=1.1,c=1.2,),
|
|
|
|
dict(lattice='tI',a=1.0, c=1.2,),
|
|
|
|
dict(lattice='hP',a=1.0 ),
|
|
|
|
dict(lattice='cI',a=1.0, ),
|
|
|
|
])
|
2021-02-12 21:34:35 +05:30
|
|
|
def test_from_directions(self,kwargs):
|
2020-11-10 01:50:56 +05:30
|
|
|
for a,b in np.random.random((10,2,3)):
|
|
|
|
c = np.cross(b,a)
|
2022-05-11 18:49:48 +05:30
|
|
|
if np.allclose(c,0): continue
|
2020-11-10 01:50:56 +05:30
|
|
|
o = Orientation.from_directions(uvw=a,hkl=c,**kwargs)
|
|
|
|
x = o.to_pole(uvw=a)
|
|
|
|
z = o.to_pole(hkl=c)
|
|
|
|
assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
|
|
|
|
and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
|
|
|
|
|
2021-02-12 21:34:35 +05:30
|
|
|
@pytest.mark.parametrize('function',[Orientation.from_random,
|
|
|
|
Orientation.from_quaternion,
|
|
|
|
Orientation.from_Euler_angles,
|
|
|
|
Orientation.from_axis_angle,
|
|
|
|
Orientation.from_basis,
|
|
|
|
Orientation.from_matrix,
|
|
|
|
Orientation.from_Rodrigues_vector,
|
|
|
|
Orientation.from_homochoric,
|
|
|
|
Orientation.from_cubochoric,
|
|
|
|
Orientation.from_spherical_component,
|
|
|
|
Orientation.from_fiber_component,
|
|
|
|
Orientation.from_directions])
|
|
|
|
def test_invalid_from(self,function):
|
|
|
|
with pytest.raises(TypeError):
|
|
|
|
function(c=.1,degrees=True,invalid=66)
|
2020-11-10 01:50:56 +05:30
|
|
|
|
|
|
|
def test_negative_angle(self):
|
|
|
|
with pytest.raises(ValueError):
|
|
|
|
Orientation(lattice='aP',a=1,b=2,c=3,alpha=45,beta=45,gamma=-45,degrees=True) # noqa
|
|
|
|
|
|
|
|
def test_excess_angle(self):
|
|
|
|
with pytest.raises(ValueError):
|
|
|
|
Orientation(lattice='aP',a=1,b=2,c=3,alpha=45,beta=45,gamma=90.0001,degrees=True) # noqa
|
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('angle',[10,20,30,40])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_average(self,angle,family):
|
|
|
|
o = Orientation.from_axis_angle(family=family,axis_angle=[[0,0,1,10],[0,0,1,angle]],degrees=True)
|
2020-11-10 01:50:56 +05:30
|
|
|
avg_angle = o.average().as_axis_angle(degrees=True,pair=True)[1]
|
|
|
|
assert np.isclose(avg_angle,10+(angle-10)/2.)
|
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_reduced_equivalent(self,family):
|
|
|
|
i = Orientation(family=family)
|
|
|
|
o = Orientation.from_random(family=family)
|
2020-11-10 01:50:56 +05:30
|
|
|
eq = o.equivalent
|
|
|
|
FZ = np.argmin(abs(eq.misorientation(i.broadcast_to(len(eq))).as_axis_angle(pair=True)[1]))
|
|
|
|
assert o.reduced == eq[FZ]
|
|
|
|
|
2021-08-16 22:53:31 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_reduced_corner_cases(self,family):
|
|
|
|
# test whether there is always a sym-eq rotation that falls into the FZ
|
|
|
|
N = np.random.randint(10,40)
|
|
|
|
size = np.ones(3)*np.pi**(2./3.)
|
|
|
|
grid = grid_filters.coordinates0_node([N+1,N+1,N+1],size,-size*.5)
|
|
|
|
evenly_distributed = Orientation.from_cubochoric(x=grid[:-2,:-2,:-2],family=family)
|
|
|
|
assert evenly_distributed.shape == evenly_distributed.reduced.shape
|
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('N',[1,8,32])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_disorientation(self,family,N):
|
|
|
|
o = Orientation.from_random(family=family,shape=N)
|
|
|
|
p = Orientation.from_random(family=family,shape=N)
|
2020-11-10 01:50:56 +05:30
|
|
|
|
|
|
|
d,ops = o.disorientation(p,return_operators=True)
|
|
|
|
|
|
|
|
for n in range(N):
|
|
|
|
assert np.allclose(d[n].as_quaternion(),
|
|
|
|
o[n].equivalent[ops[n][0]]
|
|
|
|
.misorientation(p[n].equivalent[ops[n][1]])
|
|
|
|
.as_quaternion()) \
|
|
|
|
or np.allclose((~d)[n].as_quaternion(),
|
|
|
|
o[n].equivalent[ops[n][0]]
|
|
|
|
.misorientation(p[n].equivalent[ops[n][1]])
|
|
|
|
.as_quaternion())
|
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_disorientation360(self,family):
|
|
|
|
o_1 = Orientation(Rotation(),family=family)
|
|
|
|
o_2 = Orientation.from_Euler_angles(family=family,phi=[360,0,0],degrees=True)
|
2020-11-10 01:50:56 +05:30
|
|
|
assert np.allclose((o_1.disorientation(o_2)).as_matrix(),np.eye(3))
|
|
|
|
|
2020-02-22 04:33:54 +05:30
|
|
|
@pytest.mark.parametrize('color',[{'label':'red', 'RGB':[1,0,0],'direction':[0,0,1]},
|
|
|
|
{'label':'green','RGB':[0,1,0],'direction':[0,1,1]},
|
|
|
|
{'label':'blue', 'RGB':[0,0,1],'direction':[1,1,1]}])
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
|
|
|
def test_IPF_cubic(self,color,proper):
|
2021-06-02 01:21:28 +05:30
|
|
|
cube = Orientation(family='cubic')
|
2020-02-22 04:33:54 +05:30
|
|
|
for direction in set(permutations(np.array(color['direction']))):
|
2020-11-10 01:50:56 +05:30
|
|
|
assert np.allclose(np.array(color['RGB']),
|
2020-11-18 21:15:53 +05:30
|
|
|
cube.IPF_color(vector=np.array(direction),proper=proper))
|
2020-11-10 01:50:56 +05:30
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_IPF_equivalent(self,set_of_quaternions,family,proper):
|
2020-11-10 01:50:56 +05:30
|
|
|
direction = np.random.random(3)*2.0-1.0
|
2021-06-02 01:21:28 +05:30
|
|
|
o = Orientation(rotation=set_of_quaternions,family=family).equivalent
|
2020-11-18 21:15:53 +05:30
|
|
|
color = o.IPF_color(vector=direction,proper=proper)
|
2020-11-10 01:50:56 +05:30
|
|
|
assert np.allclose(np.broadcast_to(color[0,...],color.shape),color)
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('relation',[None,'Peter','Paul'])
|
|
|
|
def test_unknown_relation(self,relation):
|
|
|
|
with pytest.raises(KeyError):
|
|
|
|
Orientation(lattice='cF').related(relation) # noqa
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('relation,lattice,a,b,c,alpha,beta,gamma',
|
|
|
|
[
|
|
|
|
('Bain', 'aP',0.5,2.0,3.0,0.8,0.5,1.2),
|
|
|
|
('KS', 'mP',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2),
|
|
|
|
('Pitsch', 'oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('Burgers','tP',0.5,0.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('GT', 'hP',1.0,None,1.6,np.pi/2,np.pi/2,2*np.pi/3),
|
|
|
|
('Burgers','cF',1.0,1.0,None,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
])
|
|
|
|
def test_unknown_relation_lattice(self,relation,lattice,a,b,c,alpha,beta,gamma):
|
|
|
|
with pytest.raises(KeyError):
|
|
|
|
Orientation(lattice=lattice,
|
|
|
|
a=a,b=b,c=c,
|
|
|
|
alpha=alpha,beta=beta,gamma=gamma).related(relation) # noqa
|
|
|
|
|
2021-06-02 01:21:28 +05:30
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_in_SST(self,family,proper):
|
2022-02-02 13:40:24 +05:30
|
|
|
assert Orientation(family=family).in_SST(np.zeros(3),proper)
|
2020-11-10 01:50:56 +05:30
|
|
|
|
|
|
|
@pytest.mark.parametrize('function',['in_SST','IPF_color'])
|
|
|
|
def test_invalid_argument(self,function):
|
2021-06-02 01:21:28 +05:30
|
|
|
o = Orientation(family='cubic') # noqa
|
2020-11-10 01:50:56 +05:30
|
|
|
with pytest.raises(ValueError):
|
|
|
|
eval(f'o.{function}(np.ones(4))')
|
2020-07-01 04:07:02 +05:30
|
|
|
|
2020-02-22 04:33:54 +05:30
|
|
|
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('lattice',['cF','cI'])
|
2020-02-22 04:33:54 +05:30
|
|
|
def test_relationship_forward_backward(self,model,lattice):
|
2020-11-10 01:50:56 +05:30
|
|
|
o = Orientation.from_random(lattice=lattice)
|
|
|
|
for i,r in enumerate(o.related(model)):
|
|
|
|
assert o.disorientation(r.related(model)[i]).as_axis_angle(degrees=True,pair=True)[1]<1.0e-5
|
2020-02-22 04:33:54 +05:30
|
|
|
|
|
|
|
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('lattice',['cF','cI'])
|
2020-11-30 01:20:41 +05:30
|
|
|
def test_relationship_reference(self,update,ref_path,model,lattice):
|
|
|
|
reference = ref_path/f'{lattice}_{model}.txt'
|
2020-11-10 01:50:56 +05:30
|
|
|
o = Orientation(lattice=lattice)
|
2020-11-18 03:26:22 +05:30
|
|
|
eu = o.related(model).as_Euler_angles(degrees=True)
|
2020-05-16 17:14:07 +05:30
|
|
|
if update:
|
2020-02-22 04:33:54 +05:30
|
|
|
coords = np.array([(1,i+1) for i,x in enumerate(eu)])
|
2020-11-10 01:50:56 +05:30
|
|
|
Table(eu,{'Eulers':(3,)})\
|
|
|
|
.add('pos',coords)\
|
|
|
|
.save(reference)
|
2020-09-21 00:15:06 +05:30
|
|
|
assert np.allclose(eu,Table.load(reference).get('Eulers'))
|
2020-07-01 18:41:39 +05:30
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
def test_basis_real(self):
|
|
|
|
for gamma in np.random.random(2**8)*np.pi:
|
|
|
|
basis = np.tril(np.random.random((3,3))+1e-6)
|
|
|
|
basis[1,:2] = basis[1,1]*np.array([np.cos(gamma),np.sin(gamma)])
|
|
|
|
basis[2,:2] = basis[2,:2]*2-1
|
|
|
|
lengths = np.linalg.norm(basis,axis=-1)
|
|
|
|
cosines = np.roll(np.einsum('ij,ij->i',basis,np.roll(basis,1,axis=0))/lengths/np.roll(lengths,1),1)
|
|
|
|
o = Orientation.from_random(lattice='aP',
|
|
|
|
**dict(zip(['a','b','c'],lengths)),
|
|
|
|
**dict(zip(['alpha','beta','gamma'],np.arccos(cosines))),
|
|
|
|
)
|
2021-06-06 23:19:29 +05:30
|
|
|
assert np.allclose(o.to_frame(uvw=np.eye(3)),basis), 'Lattice basis disagrees with initialization'
|
2020-07-01 19:56:56 +05:30
|
|
|
|
2020-11-10 01:50:56 +05:30
|
|
|
@pytest.mark.parametrize('lattice,a,b,c,alpha,beta,gamma',
|
|
|
|
[
|
|
|
|
('aP',0.5,2.0,3.0,0.8,0.5,1.2),
|
|
|
|
('mP',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2),
|
|
|
|
('oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('tP',0.5,0.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('hP',1.0,1.0,1.6,np.pi/2,np.pi/2,2*np.pi/3),
|
|
|
|
('cF',1.0,1.0,1.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
])
|
|
|
|
@pytest.mark.parametrize('kw',['uvw','hkl'])
|
|
|
|
@pytest.mark.parametrize('with_symmetry',[False,True])
|
|
|
|
@pytest.mark.parametrize('shape',[None,1,(12,24)])
|
|
|
|
@pytest.mark.parametrize('vector',[
|
|
|
|
np.random.random( 3 ),
|
|
|
|
np.random.random( (4,3)),
|
|
|
|
np.random.random((4,8,3)),
|
|
|
|
])
|
|
|
|
def test_to_pole(self,shape,lattice,a,b,c,alpha,beta,gamma,vector,kw,with_symmetry):
|
|
|
|
o = Orientation.from_random(shape=shape,
|
|
|
|
lattice=lattice,
|
|
|
|
a=a,b=b,c=c,
|
|
|
|
alpha=alpha,beta=beta,gamma=gamma)
|
|
|
|
assert o.to_pole(**{kw:vector,'with_symmetry':with_symmetry}).shape \
|
2021-08-16 22:53:31 +05:30
|
|
|
== o.shape + vector.shape[:-1] + (o.symmetry_operations.shape if with_symmetry else ()) + vector.shape[-1:]
|
2020-07-01 19:56:56 +05:30
|
|
|
|
2021-07-26 00:58:35 +05:30
|
|
|
@pytest.mark.parametrize('lattice',['hP','cI','cF']) #tI not included yet
|
2021-06-02 01:21:28 +05:30
|
|
|
def test_Schmid(self,update,ref_path,lattice):
|
2021-08-04 21:15:25 +05:30
|
|
|
O = Orientation(lattice=lattice) # noqa
|
2021-07-26 00:58:35 +05:30
|
|
|
for mode in ['slip','twin']:
|
2021-06-02 01:21:28 +05:30
|
|
|
reference = ref_path/f'{lattice}_{mode}.txt'
|
2021-08-04 21:15:25 +05:30
|
|
|
P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
|
2021-06-02 01:21:28 +05:30
|
|
|
if update:
|
|
|
|
table = Table(P.reshape(-1,9),{'Schmid':(3,3,)})
|
|
|
|
table.save(reference)
|
|
|
|
assert np.allclose(P,Table.load(reference).get('Schmid'))
|
2021-08-16 22:53:31 +05:30
|
|
|
|
2022-01-15 17:52:15 +05:30
|
|
|
def test_Schmid_invalid(self):
|
|
|
|
with pytest.raises(KeyError):
|
|
|
|
Orientation(lattice='fcc').Schmid()
|
|
|
|
|
|
|
|
|
2021-08-16 22:53:31 +05:30
|
|
|
### vectorization tests ###
|
|
|
|
|
2021-07-26 00:58:35 +05:30
|
|
|
@pytest.mark.parametrize('lattice',['hP','cI','cF']) # tI not included yet
|
2021-08-16 22:53:31 +05:30
|
|
|
def test_Schmid_vectorization(self,lattice):
|
2021-07-26 00:58:35 +05:30
|
|
|
O = Orientation.from_random(shape=4,lattice=lattice) # noqa
|
|
|
|
for mode in ['slip','twin']:
|
2021-08-08 14:14:38 +05:30
|
|
|
Ps = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
|
2021-07-26 00:58:35 +05:30
|
|
|
for i in range(4):
|
2021-08-08 14:14:38 +05:30
|
|
|
P = O[i].Schmid(N_slip='*') if mode == 'slip' else O[i].Schmid(N_twin='*')
|
|
|
|
assert np.allclose(P,Ps[:,i])
|
2021-08-16 22:53:31 +05:30
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('shape',[(1),(2,3),(4,3,2)])
|
|
|
|
def test_reduced_vectorization(self,family,shape):
|
|
|
|
o = Orientation.from_random(family=family,shape=shape)
|
|
|
|
for r, theO in zip(o.reduced.flatten(),o.flatten()):
|
|
|
|
assert r == theO.reduced
|
|
|
|
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('shape',[(1),(2,3),(4,3,2)])
|
|
|
|
@pytest.mark.parametrize('vector',np.array([[1,0,0],[1,2,3],[-1,1,-1]]))
|
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
|
|
|
def test_to_SST_vectorization(self,family,shape,vector,proper):
|
|
|
|
o = Orientation.from_random(family=family,shape=shape)
|
|
|
|
for r, theO in zip(o.to_SST(vector=vector,proper=proper).reshape((-1,3)),o.flatten()):
|
|
|
|
assert np.allclose(r,theO.to_SST(vector=vector,proper=proper))
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_in_SST_vectorization(self,family,proper):
|
|
|
|
vecs = np.random.rand(20,4,3)
|
|
|
|
result = Orientation(family=family).in_SST(vecs,proper).flatten()
|
|
|
|
for r,v in zip(result,vecs.reshape((-1,3))):
|
|
|
|
assert np.all(r == Orientation(family=family).in_SST(v,proper))
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('shape',[(1),(2,3),(4,3,2)])
|
|
|
|
@pytest.mark.parametrize('vector',np.array([[1,0,0],[1,2,3],[-1,1,-1]]))
|
|
|
|
@pytest.mark.parametrize('proper',[True,False])
|
|
|
|
@pytest.mark.parametrize('in_SST',[True,False])
|
|
|
|
def test_IPF_color_vectorization(self,family,shape,vector,proper,in_SST):
|
|
|
|
o = Orientation.from_random(family=family,shape=shape)
|
|
|
|
for r, theO in zip(o.IPF_color(vector,in_SST=in_SST,proper=proper).reshape((-1,3)),o.flatten()):
|
|
|
|
assert np.allclose(r,theO.IPF_color(vector,in_SST=in_SST,proper=proper))
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_in_FZ_vectorization(self,set_of_rodrigues,family):
|
|
|
|
result = Orientation.from_Rodrigues_vector(rho=set_of_rodrigues.reshape((-1,4,4)),family=family).in_FZ.reshape(-1)
|
|
|
|
for r,rho in zip(result,set_of_rodrigues[:len(result)]):
|
|
|
|
assert r == Orientation.from_Rodrigues_vector(rho=rho,family=family).in_FZ
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
def test_in_disorientation_FZ_vectorization(self,set_of_rodrigues,family):
|
|
|
|
result = Orientation.from_Rodrigues_vector(rho=set_of_rodrigues.reshape((-1,4,4)),
|
|
|
|
family=family).in_disorientation_FZ.reshape(-1)
|
|
|
|
for r,rho in zip(result,set_of_rodrigues[:len(result)]):
|
|
|
|
assert r == Orientation.from_Rodrigues_vector(rho=rho,family=family).in_disorientation_FZ
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
|
|
|
|
@pytest.mark.parametrize('lattice',['cF','cI'])
|
|
|
|
def test_relationship_vectorization(self,set_of_quaternions,lattice,model):
|
|
|
|
r = Orientation(rotation=set_of_quaternions[:200].reshape((50,4,4)),lattice=lattice).related(model)
|
|
|
|
for i in range(200):
|
|
|
|
assert (r.reshape((-1,200))[:,i] == Orientation(set_of_quaternions[i],lattice=lattice).related(model)).all()
|
|
|
|
|
|
|
|
### blending tests ###
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('left,right',[
|
|
|
|
((2,3,2),(2,3,2)),
|
|
|
|
((2,2),(4,4)),
|
|
|
|
((3,1),(1,3)),
|
|
|
|
(None,None),
|
|
|
|
])
|
|
|
|
def test_disorientation_blending(self,family,left,right):
|
|
|
|
o = Orientation.from_random(family=family,shape=left)
|
|
|
|
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)])
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('left,right',[
|
|
|
|
((2,3,2),(2,3,2)),
|
|
|
|
((2,2),(4,4)),
|
|
|
|
((3,1),(1,3)),
|
|
|
|
(None,(3,)),
|
|
|
|
])
|
|
|
|
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]):])]),
|
|
|
|
o.IPF_color(v)[tuple(loc)])
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('family',crystal_families)
|
|
|
|
@pytest.mark.parametrize('left,right',[
|
|
|
|
((2,3,2),(2,3,2)),
|
|
|
|
((2,2),(4,4)),
|
|
|
|
((3,1),(1,3)),
|
|
|
|
(None,(3,)),
|
|
|
|
])
|
|
|
|
def test_to_SST_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)])].to_SST(v[tuple(loc[-len(v.shape[:-1]):])]),
|
|
|
|
o.to_SST(v)[tuple(loc)])
|
|
|
|
|
|
|
|
@pytest.mark.parametrize('lattice,a,b,c,alpha,beta,gamma',
|
|
|
|
[
|
|
|
|
('aP',0.5,2.0,3.0,0.8,0.5,1.2),
|
|
|
|
('mP',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2),
|
|
|
|
('oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('tP',0.5,0.5,3.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
('hP',1.0,1.0,1.6,np.pi/2,np.pi/2,2*np.pi/3),
|
|
|
|
('cF',1.0,1.0,1.0,np.pi/2,np.pi/2,np.pi/2),
|
|
|
|
])
|
|
|
|
@pytest.mark.parametrize('left,right',[
|
|
|
|
((2,3,2),(2,3,2)),
|
|
|
|
((2,2),(4,4)),
|
|
|
|
((3,1),(1,3)),
|
|
|
|
(None,(3,)),
|
|
|
|
])
|
|
|
|
def test_to_pole_blending(self,lattice,a,b,c,alpha,beta,gamma,left,right):
|
|
|
|
o = Orientation.from_random(shape=left,
|
|
|
|
lattice=lattice,
|
|
|
|
a=a,b=b,c=c,
|
|
|
|
alpha=alpha,beta=beta,gamma=gamma)
|
|
|
|
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)])
|
2022-01-15 17:52:15 +05:30
|
|
|
|
|
|
|
def test_mul_invalid(self):
|
|
|
|
with pytest.raises(TypeError):
|
|
|
|
Orientation.from_random(lattice='cF')*np.ones(3)
|