def compute_all_misorientation_voxel(trunc_triangles, grain_ids, M):
"""
Computes misorientation distribution using grain_ids to find grain boundaries.
"""
print 'Computing voxel based misorientation'
symOps=[]
# Unity
symOps.append(np.eye(3))
# 3 fold axis around z
symOps.append(GT.rot_matrix([0,0,1],2*math.pi/3))
symOps.append(GT.rot_matrix([0,0,-1],2*math.pi/3))
# 2 fold axis around (sqrt(3),-1,0)
symOps.append(GT.rot_matrix([math.sqrt(3),-1,0],math.pi))
# 2 fold axis around y
symOps.append(GT.rot_matrix([0,1,0],math.pi))
# 2 fold axis around (sqrt(3),1,0)
symOps.append(GT.rot_matrix([math.sqrt(3),1,0],math.pi))
from collections import defaultdict
areas = defaultdict(int)
angles = defaultdict(float)
for ix in range(M[0]):
nx = (ix + 1) % M[0]
for iy in range(M[1]):
ny = (iy + 1) % M[1]
for iz in range(M[2]):
nz = (iz + 1) % M[2]
ig = grain_ids[ix + iy * M[0] + iz * (M[0] * M[1])]
if ig == 1: continue # Skip the Co-phase
def do_compute(ng):
if ig != ng and ng != 1:
index = (min(ig, ng), max(ig, ng))
areas[index] += 1
if index not in angles:
angles[index] = compute_misorientation_net(trunc_triangles[ig-2], trunc_triangles[ng-2], symOps)
# Check all three neighbours (in the + side)
do_compute(grain_ids[nx + iy * M[0] + iz * (M[0] * M[1])])
do_compute(grain_ids[ix + ny * M[0] + iz * (M[0] * M[1])])
do_compute(grain_ids[ix + iy * M[0] + nz * (M[0] * M[1])])
return angles, areas
def compute_all_misorientation_net(trunc_triangles,nbrList): symOps=[] # Unity symOps.append(np.eye(3)) # 3 fold axis around z symOps.append(GT.rot_matrix([0,0,1],2*math.pi/3)) symOps.append(GT.rot_matrix([0,0,-1],2*math.pi/3)) # 2 fold axis around (sqrt(3),-1,0) symOps.append(GT.rot_matrix([math.sqrt(3),-1,0],math.pi)) # 2 fold axis around y symOps.append(GT.rot_matrix([0,1,0],math.pi)) # 2 fold axis around (sqrt(3),1,0) symOps.append(GT.rot_matrix([math.sqrt(3),1,0],math.pi)) angles=[] for i,t in enumerate(trunc_triangles): for j in xrange(len(nbrList[i])): theta = compute_misorientation_net(t,trunc_triangles[ nbrList[i][j] ],symOps) angles.append(theta) return angles
def compute_all_misorientation_net(trunc_triangles, nbrList):
"""
Computes misorientation given a list of trunc_triangles and a neighborList
Using the net rotation M_1^-1 * M_2, with a few symmetry operations.
This method might not be correct.
"""
symOps = []
# Unity
symOps.append(np.eye(3))
# 3 fold axis around z
symOps.append(GT.rot_matrix([0, 0, 1], 2*math.pi/3))
symOps.append(GT.rot_matrix([0, 0, -1], 2*math.pi/3))
# 2 fold axis around y
symOps.append(GT.rot_matrix([0, 1, 0], math.pi))
angles = []
print('Computing misorientation angles net')
for i, t in enumerate(trunc_triangles):
for j in xrange(len(nbrList[i])):
theta = compute_misorientation_net(t, trunc_triangles[nbrList[i][j]], symOps)
angles.append(theta)
return angles
