equivalent,related and inFZ vectorized + pytest
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f.basile
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ac09a2912a
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eae9698d22
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@ -77,25 +77,37 @@ class Orientation:
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return (Orientation(r,self.lattice), i,j, k == 1) if symmetries else r # disorientation ...
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# ... own sym, other sym,
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# self-->other: True, self<--other: False
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def inFZ_vec(self):
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"""
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Check if orientations falls into Fundamental Zone
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self.rotation.as_Rodrigues() working fine
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self.rotation.as_Rodrigues(vector=True) doesn't work for several rotations
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i apply dirty fix
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"""
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if not self.rotation.shape:
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return self.lattice.symmetry.inFZ(self.rotation.as_Rodrigues(vector=True))
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else:
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return [self.lattice.symmetry.inFZ(\
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Rotation._qu2ro(self.rotation.as_quaternion())[l][...,:3]\
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*Rotation._qu2ro(self.rotation.as_quaternion())[l][...,3])\
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for l in range(self.rotation.shape[0])]
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def inFZ(self):
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return self.lattice.symmetry.inFZ(self.rotation.as_Rodrigues(vector=True))
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def equivalent(self):
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"""
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List of orientations which are symmetrically equivalent.
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Supported for multiple rotation with same lattice
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Returns list [i] being i=range(24)
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Returns list [i, num_rot] for multiple rotations
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"""
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def equivalent_vec(self):
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"""List of orientations which are symmetrically equivalent."""
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if not self.rotation.shape:
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return [self.__class__(q*self.rotation,self.lattice) \
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for q in self.lattice.symmetry.symmetryOperations()]
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else:
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return np.reshape([self.__class__(q*Rotation.from_quaternion(self.rotation.as_quaternion()[l]),self.lattice) \
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for q in self.lattice.symmetry.symmetryOperations() \
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for l in range(self.rotation.shape[0])], (24,self.rotation.shape[0]))
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for l in range(self.rotation.shape[0])], \
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(len(self.lattice.symmetry.symmetryOperations()),self.rotation.shape[0]))
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def equivalentOrientations(self,members=[]):
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@ -108,6 +120,18 @@ class Orientation:
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return [self.__class__(q*self.rotation,self.lattice) \
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for q in self.lattice.symmetry.symmetryOperations(members)] # yes, return list of rotations
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def relatedOrientations_vec(self,model):
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"""List of orientations related by the given orientation relationship."""
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r = self.lattice.relationOperations(model)
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if not self.rotation.shape:
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return [self.__class__(o*self.rotation,r['lattice']) for o in r['rotations']]
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else:
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return np.reshape(\
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[self.__class__(o*Rotation.from_quaternion(self.rotation.as_quaternion()[l])\
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,r['lattice']) for o in r['rotations'] for l in range(self.rotation.shape[0])]
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,(len(r['rotations']),self.rotation.shape[0]))
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def relatedOrientations(self,model):
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"""List of orientations related by the given orientation relationship."""
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r = self.lattice.relationOperations(model)
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@ -1,33 +0,0 @@
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import damask
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import numpy as np
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rot0= damask.Rotation.from_random()
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rot1= damask.Rotation.from_random()
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rot2= damask.Rotation.from_random()
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ori0=damask.Orientation(rot0,'fcc')
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ori1=damask.Orientation(rot1,'fcc')
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ori2=damask.Orientation(rot2,'fcc')
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quat=np.array([rot0.as_quaternion(),rot1.as_quaternion(),rot2.as_quaternion()])
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rot=damask.Rotation.from_quaternion(quat)
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ori=damask.Orientation(rot,'fcc')
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ori.equivalent()
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# doesn't work this way, don't know why
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#ori.equivalent()[:,0][0] == ori0.equivalentOrientations()[0]
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for s in range(24):
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print(ori.equivalent()[s,0].rotation.as_Eulers() == ori0.equivalentOrientations()[s].rotation.as_Eulers())
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print(ori.equivalent()[s,1].rotation.as_Eulers() == ori1.equivalentOrientations()[s].rotation.as_Eulers())
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print(ori.equivalent()[s,2].rotation.as_Eulers() == ori2.equivalentOrientations()[s].rotation.as_Eulers())
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@ -0,0 +1,93 @@
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import os
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from itertools import permutations
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import pytest
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import numpy as np
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import damask
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from damask import Rotation
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from damask import Orientation
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from damask import Lattice
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rot0= damask.Rotation.from_random()
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rot1= damask.Rotation.from_random()
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rot2= damask.Rotation.from_random()
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rot3= damask.Rotation.from_random()
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class TestOrientation_vec:
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@pytest.mark.parametrize('lattice',Lattice.lattices)
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def test_equivalentOrientations_vec(self,lattice):
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ori0=damask.Orientation(rot0,lattice)
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ori1=damask.Orientation(rot1,lattice)
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ori2=damask.Orientation(rot2,lattice)
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ori3=damask.Orientation(rot3,lattice)
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quat=np.array([rot0.as_quaternion(),rot1.as_quaternion(),rot2.as_quaternion(),rot3.as_quaternion()])
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rot_vec=damask.Rotation.from_quaternion(quat)
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ori_vec=damask.Orientation(rot_vec,lattice)
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for s in range(len(ori_vec.lattice.symmetry.symmetryOperations())):
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assert all(ori_vec.equivalent_vec()[s,0].rotation.as_Eulers() == \
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ori0.equivalentOrientations()[s].rotation.as_Eulers())
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assert all(ori_vec.equivalent_vec()[s,1].rotation.as_quaternion() == \
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ori1.equivalentOrientations()[s].rotation.as_quaternion())
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assert all(ori_vec.equivalent_vec()[s,2].rotation.as_Rodrigues() == \
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ori2.equivalentOrientations()[s].rotation.as_Rodrigues())
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assert all(ori_vec.equivalent_vec()[s,3].rotation.as_cubochoric() == \
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ori3.equivalentOrientations()[s].rotation.as_cubochoric())
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@pytest.mark.parametrize('lattice',Lattice.lattices)
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def test_inFZ_vec(self,lattice):
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ori0=damask.Orientation(rot0,lattice)
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ori1=damask.Orientation(rot1,lattice)
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ori2=damask.Orientation(rot2,lattice)
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ori3=damask.Orientation(rot3,lattice)
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#ensure 1 of them is in FZ
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ori4=ori0.reduced()
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rot4=ori4.rotation
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quat=np.array([rot0.as_quaternion(),rot1.as_quaternion(),\
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rot2.as_quaternion(),rot3.as_quaternion(), rot4.as_quaternion()])
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rot_vec=damask.Rotation.from_quaternion(quat)
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ori_vec=damask.Orientation(rot_vec,lattice)
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assert ori_vec.inFZ_vec()[0] == ori0.inFZ()
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assert ori_vec.inFZ_vec()[1] == ori1.inFZ()
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assert ori_vec.inFZ_vec()[2] == ori2.inFZ()
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assert ori_vec.inFZ_vec()[3] == ori3.inFZ()
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assert ori_vec.inFZ_vec()[4] == ori4.inFZ()
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@pytest.mark.parametrize('model',['Bain','KS','GT','GT_prime','NW','Pitsch'])
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@pytest.mark.parametrize('lattice',['fcc','bcc'])
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def test_relatedOrientations_vec(self,model,lattice):
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ori0=damask.Orientation(rot0,lattice)
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ori1=damask.Orientation(rot1,lattice)
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ori2=damask.Orientation(rot2,lattice)
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ori3=damask.Orientation(rot3,lattice)
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quat=np.array([rot0.as_quaternion(),rot1.as_quaternion(),rot2.as_quaternion(),rot3.as_quaternion()])
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rot_vec=damask.Rotation.from_quaternion(quat)
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ori_vec=damask.Orientation(rot_vec,lattice)
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for s in range(len(ori1.lattice.relationOperations(model)['rotations'])):
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assert all(ori_vec.relatedOrientations_vec(model)[s,0].rotation.as_Eulers() == \
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ori0.relatedOrientations(model)[s].rotation.as_Eulers())
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assert all(ori_vec.relatedOrientations_vec(model)[s,1].rotation.as_quaternion() == \
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ori1.relatedOrientations(model)[s].rotation.as_quaternion())
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assert all(ori_vec.relatedOrientations_vec(model)[s,2].rotation.as_Rodrigues() == \
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ori2.relatedOrientations(model)[s].rotation.as_Rodrigues())
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assert all(ori_vec.relatedOrientations_vec(model)[s,3].rotation.as_cubochoric() == \
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ori3.relatedOrientations(model)[s].rotation.as_cubochoric())
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