DAMASK_EICMD/python/tests/test_Orientation.py

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import os
from itertools import permutations
import pytest
import numpy as np
from damask import Table
from damask import Rotation
from damask import Orientation
from damask import Lattice
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n = 1000
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def IPF_color(orientation,direction):
"""TSL color of inverse pole figure for given axis (non-vectorized)."""
for o in orientation.equivalent:
pole = o.rotation@direction
inSST,color = orientation.lattice.in_SST(pole,color=True)
if inSST: break
return color
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def inverse_pole(orientation,axis,proper=False,SST=True):
if SST:
for eq in orientation.equivalent:
pole = eq.rotation @ axis/np.linalg.norm(axis)
if orientation.lattice.in_SST(pole,proper=proper):
return pole
else:
return orientation.rotation @ axis/np.linalg.norm(axis)
@pytest.fixture
def reference_dir(reference_dir_base):
"""Directory containing reference results."""
return reference_dir_base/'Rotation'
class TestOrientation:
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@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_relationship_vectorize(self,set_of_quaternions,lattice,model):
result = Orientation(set_of_quaternions[:200].reshape(50,4,4),lattice).related(model)
ref_qu = result.rotation.quaternion.reshape(-1,200,4)
for i in range(200):
single = Orientation(set_of_quaternions[i],lattice).related(model).rotation.quaternion
assert np.allclose(ref_qu[:,i,:],single)
@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_IPF_vectorize(self,set_of_quaternions,lattice):
direction = np.random.random(3)*2.0-1
oris = Orientation(Rotation(set_of_quaternions),lattice)[:200]
for i,color in enumerate(oris.IPF_color(direction)):
assert np.allclose(color,IPF_color(oris[i],direction))
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@pytest.mark.parametrize('SST',[False,True])
@pytest.mark.parametrize('proper',[True,False])
@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_inverse_pole_vectorize(self,set_of_quaternions,lattice,SST,proper):
axis = np.random.random(3)*2.0-1
oris = Orientation(Rotation(set_of_quaternions),lattice)[:200]
for i,pole in enumerate(oris.inverse_pole(axis,SST=SST)):
assert np.allclose(pole,inverse_pole(oris[i],axis,SST=SST))
@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]}])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
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def test_IPF_cubic(self,color,lattice):
cube = Orientation(Rotation(),lattice)
for direction in set(permutations(np.array(color['direction']))):
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assert np.allclose(cube.IPF_color(np.array(direction)),np.array(color['RGB']))
@pytest.mark.parametrize('lattice',Lattice.lattices)
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def test_IPF_equivalent(self,set_of_quaternions,lattice):
direction = np.random.random(3)*2.0-1
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for ori in Orientation(Rotation(set_of_quaternions),lattice)[:200]:
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color = ori.IPF_color(direction)
for equivalent in ori.equivalent:
assert np.allclose(color,equivalent.IPF_color(direction))
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@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_reduced(self,set_of_quaternions,lattice):
oris = Orientation(Rotation(set_of_quaternions),lattice)
reduced = oris.reduced
assert np.all(reduced.in_FZ) and oris.rotation.shape == reduced.rotation.shape
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_relationship_forward_backward(self,model,lattice):
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ori = Orientation(Rotation.from_random(),lattice)
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for i,r in enumerate(ori.related(model)):
ori2 = r.related(model)[i]
misorientation = ori.rotation.misorientation(ori2.rotation)
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assert misorientation.as_axis_angle(degrees=True)[3]<1.0e-5
@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
@pytest.mark.parametrize('lattice',['fcc','bcc'])
def test_relationship_reference(self,update,reference_dir,model,lattice):
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reference = os.path.join(reference_dir,f'{lattice}_{model}.txt')
ori = Orientation(Rotation(),lattice)
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eu = np.array([o.rotation.as_Eulers(degrees=True) for o in ori.related(model)])
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if update:
coords = np.array([(1,i+1) for i,x in enumerate(eu)])
table = Table(eu,{'Eulers':(3,)})
table.add('pos',coords)
table.to_ASCII(reference)
assert np.allclose(eu,Table.from_ASCII(reference).get('Eulers'))
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@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_disorientation360(self,lattice):
R_1 = Orientation(Rotation(),lattice)
R_2 = Orientation(Rotation.from_Eulers([360,0,0],degrees=True),lattice)
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assert np.allclose(R_1.disorientation(R_2).as_matrix(),np.eye(3))
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@pytest.mark.parametrize('lattice',Lattice.lattices)
@pytest.mark.parametrize('angle',[10,20,30,40])
def test_average(self,angle,lattice):
R_1 = Orientation(Rotation.from_axis_angle([0,0,1,10],degrees=True),lattice)
R_2 = Orientation(Rotation.from_axis_angle([0,0,1,angle],degrees=True),lattice)
avg_angle = R_1.average(R_2).rotation.as_axis_angle(degrees=True,pair=True)[1]
assert np.isclose(avg_angle,10+(angle-10)/2.)
@pytest.mark.parametrize('lattice',Lattice.lattices)
def test_from_average(self,lattice):
R_1 = Orientation(Rotation.from_random(),lattice)
eqs = [r for r in R_1.equivalent]
R_2 = Orientation.from_average(eqs)
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assert np.allclose(R_1.rotation.quaternion,R_2.rotation.quaternion)