DAMASK_EICMD/python/tests/test_Orientation.py

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

n = 1000

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

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:

    @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))

    @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'])
    def test_IPF_cubic(self,color,lattice):
        cube = Orientation(Rotation(),lattice)
        for direction in set(permutations(np.array(color['direction']))):
            assert np.allclose(cube.IPF_color(np.array(direction)),np.array(color['RGB']))

    @pytest.mark.parametrize('lattice',Lattice.lattices)
    def test_IPF_equivalent(self,set_of_quaternions,lattice):
        direction = np.random.random(3)*2.0-1
        for ori in Orientation(Rotation(set_of_quaternions),lattice)[:200]:
            color = ori.IPF_color(direction)
            for equivalent in ori.equivalent:
                assert np.allclose(color,equivalent.IPF_color(direction))

    @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):
        ori = Orientation(Rotation.from_random(),lattice)
        for i,r in enumerate(ori.related(model)):
            ori2 = r.related(model)[i]
            misorientation = ori.rotation.misorientation(ori2.rotation)
            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):
        reference = os.path.join(reference_dir,f'{lattice}_{model}.txt')
        ori = Orientation(Rotation(),lattice)
        eu = np.array([o.rotation.as_Eulers(degrees=True) for o in ori.related(model)])
        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'))

    @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)
        assert np.allclose(R_1.disorientation(R_2).as_matrix(),np.eye(3))

    @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)
        assert np.allclose(R_1.rotation.quaternion,R_2.rotation.quaternion)