547 lines
28 KiB
Python
547 lines
28 KiB
Python
import pytest
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import numpy as np
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from itertools import permutations
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from matplotlib import pyplot as plt
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from PIL import Image
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from damask import Rotation
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from damask import Orientation
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from damask import Table
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from damask import util
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from damask import grid_filters
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from damask import _crystal
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crystal_families = set(_crystal.lattice_symmetries.values())
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@pytest.fixture
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def res_path(res_path_base):
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"""Directory containing testing resources."""
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return res_path_base/'Orientation'
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@pytest.fixture
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def set_of_rodrigues(set_of_quaternions):
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return Rotation(set_of_quaternions).as_Rodrigues_vector()
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class TestOrientation:
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('shape',[None,5,(4,6)])
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def test_equal(self,family,shape):
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R = Rotation.from_random(shape)
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assert Orientation(R,family=family) == Orientation(R,family=family) if shape is None else \
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(Orientation(R,family=family) == Orientation(R,family=family)).all()
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('shape',[None,5,(4,6)])
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def test_unequal(self,family,shape):
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R = Rotation.from_random(shape)
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assert not ( Orientation(R,family=family) != Orientation(R,family=family) if shape is None else \
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(Orientation(R,family=family) != Orientation(R,family=family)).any())
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('shape',[None,5,(4,6)])
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def test_close(self,family,shape):
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R = Orientation.from_random(family=family,shape=shape)
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assert R.isclose(R.reduced).all() and R.allclose(R.reduced)
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@pytest.mark.parametrize('a,b',[
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(dict(rotation=[1,0,0,0],family='triclinic'),
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dict(rotation=[0.5,0.5,0.5,0.5],family='triclinic')),
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(dict(rotation=[1,0,0,0],family='cubic'),
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dict(rotation=[1,0,0,0],family='hexagonal')),
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])
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def test_unequal_family(self,a,b):
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assert Orientation(**a) != Orientation(**b)
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@pytest.mark.parametrize('a,b',[
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(dict(rotation=[1,0,0,0],lattice='cF',a=1),
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dict(rotation=[1,0,0,0],lattice='cF',a=2)),
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])
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def test_unequal_lattice(self,a,b):
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assert Orientation(**a) != Orientation(**b)
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@pytest.mark.parametrize('kwargs',[
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dict(lattice='aP', alpha=np.pi/4,beta=np.pi/3, ),
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dict(lattice='mP', c=1.2,alpha=np.pi/4, gamma=np.pi/2),
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dict(lattice='oP', c=1.2,alpha=np.pi/4, ),
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dict(lattice='oS',a=1.0, c=2.0,alpha=np.pi/2,beta=np.pi/3, ),
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dict(lattice='tP',a=1.0,b=1.2, ),
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dict(lattice='tI', alpha=np.pi/3, ),
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dict(lattice='hP', gamma=np.pi/2),
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dict(lattice='cI',a=1.0, c=2.0,alpha=np.pi/2,beta=np.pi/2, ),
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dict(lattice='cF', beta=np.pi/3, ),
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])
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def test_invalid_init(self,kwargs):
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with pytest.raises(ValueError):
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Orientation(**kwargs)
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@pytest.mark.parametrize('invalid_family',[None,'fcc','bcc','hello'])
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def test_invalid_family_init(self,invalid_family):
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with pytest.raises(KeyError):
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Orientation(family=invalid_family)
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@pytest.mark.parametrize('invalid_lattice',[None,'fcc','bcc','hello'])
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def test_invalid_lattice_init(self,invalid_lattice):
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with pytest.raises(KeyError):
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Orientation(lattice=invalid_lattice)
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@pytest.mark.parametrize('kwargs',[
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dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4,beta=np.pi/3,gamma=np.pi/2),
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dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3 ),
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dict(lattice='oS',a=1.0,b=1.1,c=1.2, ),
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dict(lattice='tI',a=1.0, c=1.2, ),
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dict(lattice='hP',a=1.0 ),
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dict(lattice='cI',a=1.0, ),
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])
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def test_repr(self,kwargs):
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o = Orientation.from_random(**kwargs)
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assert isinstance(o.__repr__(),str)
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@pytest.mark.parametrize('kwargs',[
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dict(lattice='aP',a=1.0,b=1.1,c=1.2,alpha=np.pi/4,beta=np.pi/3,gamma=np.pi/2),
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dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3 ),
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dict(lattice='oS',a=1.0,b=1.1,c=1.2, ),
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dict(lattice='tI',a=1.0, c=1.2, ),
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dict(lattice='hP',a=1.0 ),
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dict(lattice='cI',a=1.0, ),
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])
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def test_copy(self,kwargs):
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o = Orientation.from_random(**kwargs)
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p = o.copy(rotation=Rotation.from_random())
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assert o != p
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def test_from_quaternion(self):
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assert np.all(Orientation.from_quaternion(q=np.array([1,0,0,0]),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_Euler_angles(self):
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assert np.all(Orientation.from_Euler_angles(phi=np.zeros(3),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_axis_angle(self):
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assert np.all(Orientation.from_axis_angle(n_omega=[1,0,0,0],family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_basis(self):
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assert np.all(Orientation.from_basis(basis=np.eye(3),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_matrix(self):
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assert np.all(Orientation.from_matrix(R=np.eye(3),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_Rodrigues_vector(self):
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assert np.all(Orientation.from_Rodrigues_vector(rho=np.array([0,0,1,0]),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_homochoric(self):
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assert np.all(Orientation.from_homochoric(h=np.zeros(3),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_cubochoric(self):
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assert np.all(Orientation.from_cubochoric(x=np.zeros(3),family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_spherical_component(self):
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assert np.all(Orientation.from_spherical_component(center=Rotation(),
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sigma=0.0,shape=1,family='triclinic').as_matrix()
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== np.eye(3))
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def test_from_fiber_component(self):
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crystal = np.random.rand(2) * [180,360]
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sample = np.random.rand(2) * [180,360]
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r = Rotation.from_fiber_component(crystal=crystal,sample=sample,
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sigma=0.0,shape=1,rng_seed=0)
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assert np.all(Orientation.from_fiber_component(crystal=crystal,sample=sample,
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sigma=0.0,shape=None,rng_seed=0,lattice='cI').quaternion
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== r.quaternion)
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@pytest.mark.parametrize('crystal,sample,direction,color',[([np.pi/4,0],[np.pi/2,0],[1,0,0],[0,1,0]),
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([np.arccos(3**(-.5)),np.pi/4,0],[0,0],[0,0,1],[0,0,1])])
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def test_fiber_IPF(self,crystal,sample,direction,color):
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fiber = Orientation.from_fiber_component(crystal=crystal,sample=sample,family='cubic',shape=200)
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assert np.allclose(fiber.IPF_color(direction),color)
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@pytest.mark.parametrize('kwargs',[
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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),
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dict(lattice='mP',a=1.0,b=1.1,c=1.2, beta=np.pi/3.5),
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dict(lattice='oS',a=1.0,b=1.1,c=1.2,),
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dict(lattice='tI',a=1.0, c=1.2,),
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dict(lattice='hP',a=1.0 ),
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dict(lattice='cI',a=1.0, ),
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])
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def test_from_directions(self,kwargs):
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for a,b in np.random.random((10,2,3)):
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c = np.cross(b,a)
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if np.allclose(c,0): continue
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o = Orientation.from_directions(uvw=a,hkl=c,**kwargs)
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x = o.to_pole(uvw=a)
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z = o.to_pole(hkl=c)
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assert np.isclose(np.dot(x,np.array([1,0,0])),1) \
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and np.isclose(np.dot(z,np.array([0,0,1])),1)
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@pytest.mark.parametrize('function',[Orientation.from_random,
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Orientation.from_quaternion,
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Orientation.from_Euler_angles,
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Orientation.from_axis_angle,
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Orientation.from_basis,
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Orientation.from_matrix,
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Orientation.from_Rodrigues_vector,
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Orientation.from_homochoric,
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Orientation.from_cubochoric,
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Orientation.from_spherical_component,
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Orientation.from_fiber_component,
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Orientation.from_directions])
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def test_invalid_from(self,function):
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with pytest.raises(TypeError):
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function(c=.1,degrees=True,invalid=66)
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def test_negative_angle(self):
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with pytest.raises(ValueError):
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Orientation(lattice='aP',a=1,b=2,c=3,alpha=45,beta=45,gamma=-45,degrees=True) # noqa
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def test_excess_angle(self):
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with pytest.raises(ValueError):
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Orientation(lattice='aP',a=1,b=2,c=3,alpha=45,beta=45,gamma=90.0001,degrees=True) # noqa
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('angle',[10,20,30,40])
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def test_average(self,angle,family):
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o = Orientation.from_axis_angle(family=family,n_omega=[[0,0,1,10],[0,0,1,angle]],degrees=True)
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avg_angle = o.average().as_axis_angle(degrees=True,pair=True)[1]
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assert np.isclose(avg_angle,10+(angle-10)/2.)
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@pytest.mark.parametrize('family',crystal_families)
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def test_reduced_equivalent(self,family):
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i = Orientation(family=family)
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o = Orientation.from_random(family=family)
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eq = o.equivalent
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FZ = np.argmin(abs(eq.misorientation(i.broadcast_to(len(eq))).as_axis_angle(pair=True)[1]))
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assert o.reduced == eq[FZ]
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@pytest.mark.parametrize('family',crystal_families)
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def test_reduced_corner_cases(self,family):
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# test whether there is always exactly one sym-eq rotation that falls into the FZ
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N = np.random.randint(10,40)
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size = np.ones(3)*np.pi**(2./3.)
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grid = grid_filters.coordinates0_node([N+1,N+1,N+1],size,-size*.5)
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evenly_distributed = Orientation.from_cubochoric(x=grid,family=family)
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assert evenly_distributed.shape == evenly_distributed.reduced.shape
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('N',[1,8,32])
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def test_disorientation(self,family,N):
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o = Orientation.from_random(family=family,shape=N)
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p = Orientation.from_random(family=family,shape=N)
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d,ops = o.disorientation(p,return_operators=True)
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for n in range(N):
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assert np.allclose(d[n].as_quaternion(),
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o[n].equivalent[ops[n][0]]
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.misorientation(p[n].equivalent[ops[n][1]])
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.as_quaternion()) \
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or np.allclose((~d)[n].as_quaternion(),
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o[n].equivalent[ops[n][0]]
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.misorientation(p[n].equivalent[ops[n][1]])
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.as_quaternion())
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@pytest.mark.parametrize('family',crystal_families)
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def test_disorientation360(self,family):
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o_1 = Orientation(Rotation(),family=family)
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o_2 = Orientation.from_Euler_angles(family=family,phi=[360,0,0],degrees=True)
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assert np.allclose((o_1.disorientation(o_2)).as_matrix(),np.eye(3))
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@pytest.mark.parametrize('color',[{'label':'red', 'RGB':[1,0,0],'direction':[0,0,1]},
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{'label':'green','RGB':[0,1,0],'direction':[0,1,1]},
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{'label':'blue', 'RGB':[0,0,1],'direction':[1,1,1]}])
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@pytest.mark.parametrize('proper',[True,False])
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def test_IPF_cubic(self,color,proper):
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cube = Orientation(family='cubic')
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for direction in set(permutations(np.array(color['direction']))):
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assert np.allclose(np.array(color['RGB']),
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cube.IPF_color(vector=np.array(direction),proper=proper))
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('proper',[True,False])
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def test_IPF_equivalent(self,set_of_quaternions,family,proper):
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direction = np.random.random(3)*2.0-1.0
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o = Orientation(rotation=set_of_quaternions,family=family).equivalent
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color = o.IPF_color(vector=direction,proper=proper)
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assert np.allclose(np.broadcast_to(color[0,...],color.shape),color)
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@pytest.mark.parametrize('relation',[None,'Peter','Paul'])
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def test_unknown_relation(self,relation):
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with pytest.raises(KeyError):
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Orientation(lattice='cF').related(relation) # noqa
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@pytest.mark.parametrize('relation,lattice,a,b,c,alpha,beta,gamma',
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[
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('Bain', 'aP',0.5,2.0,3.0,0.8,0.5,1.2),
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('KS', 'mP',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2),
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('Pitsch', 'oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2),
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('Burgers','tP',0.5,0.5,3.0,np.pi/2,np.pi/2,np.pi/2),
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('GT', 'hP',1.0,None,1.6,np.pi/2,np.pi/2,2*np.pi/3),
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('Burgers','cF',1.0,1.0,None,np.pi/2,np.pi/2,np.pi/2),
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])
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def test_unknown_relation_lattice(self,relation,lattice,a,b,c,alpha,beta,gamma):
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with pytest.raises(KeyError):
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Orientation(lattice=lattice,
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a=a,b=b,c=c,
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alpha=alpha,beta=beta,gamma=gamma).related(relation) # noqa
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@pytest.mark.parametrize('family',crystal_families)
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@pytest.mark.parametrize('proper',[True,False])
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def test_in_SST(self,family,proper):
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assert Orientation(family=family).in_SST(np.zeros(3),proper)
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@pytest.mark.parametrize('function',['in_SST','IPF_color'])
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def test_invalid_argument(self,function):
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o = Orientation(family='cubic') # noqa
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with pytest.raises(ValueError):
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eval(f'o.{function}(np.ones(4))')
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@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
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@pytest.mark.parametrize('lattice',['cF','cI'])
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def test_relationship_reference(self,update,res_path,model,lattice):
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reference = res_path/f'{lattice}_{model}.txt'
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o = Orientation(lattice=lattice)
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eu = o.related(model).as_Euler_angles(degrees=True)
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if update:
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coords = np.array([(1,i+1) for i,x in enumerate(eu)])
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Table({'Eulers':(3,)},eu).set('pos',coords).save(reference)
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assert np.allclose(eu,Table.load(reference).get('Eulers'))
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def test_basis_real(self):
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for gamma in np.random.random(2**8)*np.pi:
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basis = np.tril(np.random.random((3,3))+1e-6)
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basis[1,:2] = basis[1,1]*np.array([np.cos(gamma),np.sin(gamma)])
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basis[2,:2] = basis[2,:2]*2-1
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lengths = np.linalg.norm(basis,axis=-1)
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cosines = np.roll(np.einsum('ij,ij->i',basis,np.roll(basis,1,axis=0))/lengths/np.roll(lengths,1),1)
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o = Orientation.from_random(lattice='aP',
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**dict(zip(['a','b','c'],lengths)),
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**dict(zip(['alpha','beta','gamma'],np.arccos(cosines))),
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)
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assert np.allclose(o.to_frame(uvw=np.eye(3)),basis,rtol=1e-4), 'Lattice basis disagrees with initialization'
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@pytest.mark.parametrize('lattice,a,b,c,alpha,beta,gamma',
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[
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('aP',0.5,2.0,3.0,0.8,0.5,1.2),
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('mP',1.0,2.0,3.0,np.pi/2,0.5,np.pi/2),
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('oI',0.5,1.5,3.0,np.pi/2,np.pi/2,np.pi/2),
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('tP',0.5,0.5,3.0,np.pi/2,np.pi/2,np.pi/2),
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('hP',1.0,1.0,1.6,np.pi/2,np.pi/2,2*np.pi/3),
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('cF',1.0,1.0,1.0,np.pi/2,np.pi/2,np.pi/2),
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])
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@pytest.mark.parametrize('kw',['uvw','hkl'])
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@pytest.mark.parametrize('with_symmetry',[False,True])
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@pytest.mark.parametrize('shape',[None,1,(12,24)])
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@pytest.mark.parametrize('vector',[
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np.random.random( 3 ),
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np.random.random( (4,3)),
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np.random.random((4,8,3)),
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])
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def test_to_pole(self,shape,lattice,a,b,c,alpha,beta,gamma,vector,kw,with_symmetry):
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o = Orientation.from_random(shape=shape,
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lattice=lattice,
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a=a,b=b,c=c,
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alpha=alpha,beta=beta,gamma=gamma)
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assert o.to_pole(**{kw:vector,'with_symmetry':with_symmetry}).shape \
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== util.shapeblender(o.shape,vector.shape[:-1]) \
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+ (o.symmetry_operations.shape if with_symmetry else ()) \
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+ vector.shape[-1:]
|
|
|
|
@pytest.mark.parametrize('lattice',['hP','cI','cF']) #tI not included yet
|
|
def test_Schmid(self,update,res_path,lattice):
|
|
O = Orientation(lattice=lattice) # noqa
|
|
for mode in ['slip','twin']:
|
|
reference = res_path/f'{lattice}_{mode}.txt'
|
|
P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
|
|
if update:
|
|
Table({'Schmid':(3,3,)},P.reshape(-1,9)).save(reference)
|
|
assert np.allclose(P,Table.load(reference).get('Schmid'))
|
|
|
|
def test_Schmid_invalid(self):
|
|
with pytest.raises(KeyError):
|
|
Orientation(lattice='fcc').Schmid()
|
|
|
|
|
|
### vectorization tests ###
|
|
|
|
@pytest.mark.parametrize('lattice',['hP','cI','cF']) # tI not included yet
|
|
def test_Schmid_vectorization(self,lattice):
|
|
O = Orientation.from_random(shape=4,lattice=lattice) # noqa
|
|
for mode in ['slip','twin']:
|
|
Ps = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
|
|
for i in range(4):
|
|
P = O[i].Schmid(N_slip='*') if mode == 'slip' else O[i].Schmid(N_twin='*')
|
|
assert np.allclose(P,Ps[:,i])
|
|
|
|
@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))):
|
|
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',[
|
|
((2,3,2),(2,3,2)),
|
|
((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))):
|
|
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)
|
|
@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))):
|
|
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',
|
|
[
|
|
('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))):
|
|
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):
|
|
Orientation.from_random(lattice='cF')*np.ones(3)
|
|
|
|
@pytest.mark.parametrize('OR',['KS','NW','GT','GT_prime','Bain','Pitsch'])
|
|
@pytest.mark.parametrize('pole',[[0,0,1],[0,1,1],[1,1,1]])
|
|
def test_OR_plot(self,update,res_path,tmp_path,OR,pole):
|
|
# https://doi.org/10.3390/cryst13040663 for comparison
|
|
O = Orientation(lattice='cF')
|
|
poles = O.related(OR).to_pole(uvw=pole,with_symmetry=True).reshape(-1,3)
|
|
points = util.project_equal_area(poles,'z')
|
|
|
|
fig, ax = plt.subplots()
|
|
c = plt.Circle((0,0),1, color='k',fill=False)
|
|
ax.add_patch(c)
|
|
ax.scatter(points[:,0],points[:,1])
|
|
ax.set_aspect('equal', 'box')
|
|
fname=f'{OR}-{"".join(map(str,pole))}.png'
|
|
plt.axis('off')
|
|
plt.savefig(tmp_path/fname)
|
|
if update: plt.savefig(res_path/fname)
|
|
current = np.array(Image.open(tmp_path/fname))
|
|
reference = np.array(Image.open(res_path/fname))
|
|
assert np.allclose(current,reference)
|
|
|