no direct connection to Orientation object
This commit is contained in:
Martin Diehl
parent
f7e1aad147
commit
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@ -177,8 +177,8 @@ class Orientation(Rotation):
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for m in master:
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self.kinematics[m] = {'direction':master[m][:,0:3],'plane':master[m][:,3:6]} \
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if master[m].shape[-1] == 6 else \
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{'direction':self.Bravais_to_Miller(uvtw=master[m][:,0:4]),
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'plane': self.Bravais_to_Miller(hkil=master[m][:,4:8])}
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{'direction':lattice_.Bravais_to_Miller(uvtw=master[m][:,0:4]),
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'plane': lattice_.Bravais_to_Miller(hkil=master[m][:,4:8])}
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elif lattice in set(lattice_symmetries.values()):
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self.family = lattice
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self.lattice = None
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@ -676,10 +676,10 @@ class Orientation(Rotation):
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o = r[ol]
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p_,_p = np.zeros(m.shape[:-1]+(3,)),np.zeros(o.shape[:-1]+(3,))
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p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else self.Bravais_to_Miller(uvtw=m[...,0,0:4])
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p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else self.Bravais_to_Miller(hkil=m[...,1,0:4])
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_p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else self.Bravais_to_Miller(uvtw=o[...,0,0:4])
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_p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else self.Bravais_to_Miller(hkil=o[...,1,0:4])
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p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else lattice_.Bravais_to_Miller(uvtw=m[...,0,0:4])
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p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else lattice_.Bravais_to_Miller(hkil=m[...,1,0:4])
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_p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else lattice_.Bravais_to_Miller(uvtw=o[...,0,0:4])
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_p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else lattice_.Bravais_to_Miller(hkil=o[...,1,0:4])
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return (Rotation.from_parallel(p_,_p),ol) \
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if return_lattice else \
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@ -1158,64 +1158,6 @@ class Orientation(Rotation):
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)
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@classmethod
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def Bravais_to_Miller(cls,*,uvtw=None,hkil=None):
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"""
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Transform 4 Miller–Bravais indices to 3 Miller indices of crystal direction [uvw] or plane normal (hkl).
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Parameters
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----------
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uvtw|hkil : numpy.ndarray of shape (...,4)
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Miller–Bravais indices of crystallographic direction [uvtw] or plane normal (hkil).
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Returns
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-------
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uvw|hkl : numpy.ndarray of shape (...,3)
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Miller indices of [uvw] direction or (hkl) plane normal.
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"""
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if (uvtw is not None) ^ (hkil is None):
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raise KeyError('Specify either "uvtw" or "hkil"')
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axis,basis = (np.array(uvtw),np.array([[1,0,-1,0],
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[0,1,-1,0],
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[0,0, 0,1]])) \
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if hkil is None else \
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(np.array(hkil),np.array([[1,0,0,0],
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[0,1,0,0],
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[0,0,0,1]]))
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return np.einsum('il,...l',basis,axis)
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@classmethod
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def Miller_to_Bravais(cls,*,uvw=None,hkl=None):
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"""
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Transform 3 Miller indices to 4 Miller–Bravais indices of crystal direction [uvtw] or plane normal (hkil).
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Parameters
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----------
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uvw|hkl : numpy.ndarray of shape (...,3)
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Miller indices of crystallographic direction [uvw] or plane normal (hkl).
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Returns
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-------
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uvtw|hkil : numpy.ndarray of shape (...,4)
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Miller–Bravais indices of [uvtw] direction or (hkil) plane normal.
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"""
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if (uvw is not None) ^ (hkl is None):
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raise KeyError('Specify either "uvw" or "hkl"')
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axis,basis = (np.array(uvw),np.array([[ 2,-1, 0],
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[-1, 2, 0],
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[-1,-1, 0],
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[ 0, 0, 3]])/3) \
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if hkl is None else \
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(np.array(hkl),np.array([[ 1, 0, 0],
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[ 0, 1, 0],
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[-1,-1, 0],
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[ 0, 0, 1]]))
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return np.einsum('il,...l',basis,axis)
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def to_lattice(self,*,direction=None,plane=None):
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"""
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Calculate lattice vector corresponding to crystal frame direction or plane normal.
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@ -1,5 +1,62 @@
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import numpy as _np
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def Bravais_to_Miller(*,uvtw=None,hkil=None):
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"""
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Transform 4 Miller–Bravais indices to 3 Miller indices of crystal direction [uvw] or plane normal (hkl).
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Parameters
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----------
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uvtw|hkil : numpy.ndarray of shape (...,4)
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Miller–Bravais indices of crystallographic direction [uvtw] or plane normal (hkil).
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Returns
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-------
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uvw|hkl : numpy.ndarray of shape (...,3)
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Miller indices of [uvw] direction or (hkl) plane normal.
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"""
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if (uvtw is not None) ^ (hkil is None):
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raise KeyError('Specify either "uvtw" or "hkil"')
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axis,basis = (_np.array(uvtw),_np.array([[1,0,-1,0],
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[0,1,-1,0],
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[0,0, 0,1]])) \
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if hkil is None else \
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(_np.array(hkil),_np.array([[1,0,0,0],
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[0,1,0,0],
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[0,0,0,1]]))
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return _np.einsum('il,...l',basis,axis)
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def Miller_to_Bravais(*,uvw=None,hkl=None):
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"""
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Transform 3 Miller indices to 4 Miller–Bravais indices of crystal direction [uvtw] or plane normal (hkil).
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Parameters
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----------
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uvw|hkl : numpy.ndarray of shape (...,3)
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Miller indices of crystallographic direction [uvw] or plane normal (hkl).
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Returns
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-------
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uvtw|hkil : numpy.ndarray of shape (...,4)
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Miller–Bravais indices of [uvtw] direction or (hkil) plane normal.
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"""
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if (uvw is not None) ^ (hkl is None):
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raise KeyError('Specify either "uvw" or "hkl"')
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axis,basis = (_np.array(uvw),_np.array([[ 2,-1, 0],
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[-1, 2, 0],
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[-1,-1, 0],
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[ 0, 0, 3]])/3) \
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if hkl is None else \
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(_np.array(hkl),_np.array([[ 1, 0, 0],
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[ 0, 1, 0],
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[-1,-1, 0],
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[ 0, 0, 1]]))
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return _np.einsum('il,...l',basis,axis)
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kinematics = {
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'cF': {
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'slip' : _np.array([
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@ -8,7 +8,9 @@ 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 lattice
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from damask._orientation import crystal_families
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from damask import _orientation
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crystal_families = set(_orientation.lattice_symmetries.values())
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@pytest.fixture
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@ -358,14 +360,6 @@ class TestOrientation:
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with pytest.raises(KeyError):
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Orientation(lattice=None).basis_reciprocal # noqa
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def test_double_Bravais_to_Miller(self):
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with pytest.raises(KeyError):
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Orientation.Bravais_to_Miller(uvtw=np.ones(4),hkil=np.ones(4)) # noqa
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def test_double_Miller_to_Bravais(self):
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with pytest.raises(KeyError):
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Orientation.Miller_to_Bravais(uvw=np.ones(4),hkl=np.ones(4)) # noqa
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def test_double_to_lattice(self):
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with pytest.raises(KeyError):
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Orientation().to_lattice(direction=np.ones(3),plane=np.ones(3)) # noqa
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@ -490,26 +484,6 @@ class TestOrientation:
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assert np.allclose(vector,
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L.to_frame(**{keyFrame:L.to_lattice(**{keyLattice:vector})}))
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@pytest.mark.parametrize('vector',np.array([
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[1,0,0],
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[1,1,0],
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[1,1,1],
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[1,0,-2],
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]))
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@pytest.mark.parametrize('kw_Miller,kw_Bravais',[('uvw','uvtw'),('hkl','hkil')])
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def test_Miller_Bravais_Miller(self,vector,kw_Miller,kw_Bravais):
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assert np.all(vector == Orientation.Bravais_to_Miller(**{kw_Bravais:Orientation.Miller_to_Bravais(**{kw_Miller:vector})}))
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@pytest.mark.parametrize('vector',np.array([
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[1,0,-1,2],
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[1,-1,0,3],
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[1,1,-2,-3],
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[0,0,0,1],
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]))
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@pytest.mark.parametrize('kw_Miller,kw_Bravais',[('uvw','uvtw'),('hkl','hkil')])
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def test_Bravais_Miller_Bravais(self,vector,kw_Miller,kw_Bravais):
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assert np.all(vector == Orientation.Miller_to_Bravais(**{kw_Miller:Orientation.Bravais_to_Miller(**{kw_Bravais:vector})}))
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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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@ -0,0 +1,34 @@
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import pytest
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import numpy as np
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from damask import lattice
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class TestLattice:
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def test_double_Bravais_to_Miller(self):
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with pytest.raises(KeyError):
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lattice.Bravais_to_Miller(uvtw=np.ones(4),hkil=np.ones(4)) # noqa
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def test_double_Miller_to_Bravais(self):
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with pytest.raises(KeyError):
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lattice.Miller_to_Bravais(uvw=np.ones(4),hkl=np.ones(4)) # noqa
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@pytest.mark.parametrize('vector',np.array([
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[1,0,0],
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[1,1,0],
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[1,1,1],
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[1,0,-2],
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]))
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@pytest.mark.parametrize('kw_Miller,kw_Bravais',[('uvw','uvtw'),('hkl','hkil')])
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def test_Miller_Bravais_Miller(self,vector,kw_Miller,kw_Bravais):
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assert np.all(vector == lattice.Bravais_to_Miller(**{kw_Bravais:lattice.Miller_to_Bravais(**{kw_Miller:vector})}))
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@pytest.mark.parametrize('vector',np.array([
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[1,0,-1,2],
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[1,-1,0,3],
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[1,1,-2,-3],
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[0,0,0,1],
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]))
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@pytest.mark.parametrize('kw_Miller,kw_Bravais',[('uvw','uvtw'),('hkl','hkil')])
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def test_Bravais_Miller_Bravais(self,vector,kw_Miller,kw_Bravais):
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assert np.all(vector == lattice.Miller_to_Bravais(**{kw_Miller:lattice.Bravais_to_Miller(**{kw_Bravais:vector})}))
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