65 lines
3.0 KiB
Python
65 lines
3.0 KiB
Python
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import pytest
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import numpy as np
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from damask import Crystal
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class TestCrystal:
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def test_double_to_lattice(self):
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c = Crystal(lattice='cF')
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with pytest.raises(KeyError):
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c.to_lattice(direction=np.ones(3),plane=np.ones(3))
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def test_double_to_frame(self):
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c = Crystal(lattice='cF')
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with pytest.raises(KeyError):
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c.to_frame(uvw=np.ones(3),hkl=np.ones(3))
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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,None,1.6,np.pi/2,np.pi/2,2*np.pi/3),
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('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_bases_contraction(self,lattice,a,b,c,alpha,beta,gamma):
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c = Crystal(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 np.allclose(np.eye(3),np.einsum('ik,jk',c.basis_real,c.basis_reciprocal))
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@pytest.mark.parametrize('keyFrame,keyLattice',[('uvw','direction'),('hkl','plane'),])
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@pytest.mark.parametrize('vector',np.array([
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[1.,1.,1.],
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[-2.,3.,0.5],
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[0.,0.,1.],
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[1.,1.,1.],
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[2.,2.,2.],
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[0.,1.,1.],
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]))
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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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def test_to_frame_to_lattice(self,lattice,a,b,c,alpha,beta,gamma,vector,keyFrame,keyLattice):
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c = Crystal(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 np.allclose(vector,
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c.to_frame(**{keyFrame:c.to_lattice(**{keyLattice:vector})}))
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@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch','Burgers'])
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def test_relationship_definition(self,model):
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m,o = list(Crystal._orientation_relationships[model])
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assert Crystal._orientation_relationships[model][m].shape[:-1] == \
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Crystal._orientation_relationships[model][o].shape[:-1]
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