def return2fz(euler):
g = bunge2g(euler)
symhex = ef.symhex()
for ii in xrange(symhex.shape[0]):
g_symm = np.dot(symhex[ii, ...], g)
euler_ = g2bunge(g_symm)
euler_ += 2 * np.pi * np.array(euler_ < 0)
if np.all(euler_ < np.array([2 * np.pi, np.pi / 2, np.pi / 3])):
break
return euler_
def is_equiv_g(g1, g2):
symhex = ef.symhex()
is_equiv = False
for ii in xrange(symhex.shape[0]):
g_symm = np.dot(symhex[ii, ...], g1)
if np.all(np.isclose(g2, g_symm)):
is_equiv = True
return is_equiv
import euler_func as ef import h5py """ check whether the database exhibits hexagonal-triclinic crystal symmetry first find 12 symmetric orientations in triclinic FZ (0<=phi1<2*pi, 0<=Phi<=pi, 0<=phi2<2*pi) for each deformation mode sample (theta), check if the value of interest is the same for all symmetric orientations """ np.random.seed() # generate seed for random symhex = ef.symhex() inc = 5 # degree increment for angular variables n_th_max = 120 / inc # number of theta samples in FOS n_max = 360 / inc # number of phi1, Phi and phi2 samples in FOS n_hlf = 180 / inc # half n_max n_th = (60 / inc) + 1 # number of theta samples for FZ n_p1 = 360 / inc # number of phi1 samples for FZ n_P = (90 / inc) + 1 # number of Phi samples for FZ n_p2 = 60 / inc # number of phi2 samples for FZ print "angle space shape: %s" % str(np.array([n_th, n_p1, n_P, n_p2])) # only look at last in series for value of interest
print "N_L = %s" % N_L
# N_L = 10
phi1max = 360
phimax = 90
phi2max = 60
inc = 10.
"""Retrieve Euler angle set"""
euler, n_tot = euler_grid_center(inc, phi1max, phimax, phi2max)
"""Perform the symmetry check"""
symop = ef.symhex()
n_sym = symop.shape[0]
print "number of symmetry operators: %s" % n_sym
euler_sym = np.zeros((n_sym, n_tot, 3))
g_orig = ef.bunge2g(euler[:, 0], euler[:, 1], euler[:, 2])
# find the symmetric equivalents to the euler angle within the FZ
for sym in xrange(n_sym):
op = symop[sym, ...]
# g_sym: array of orientation matrices transformed with a
# symmetry operator
g_sym = np.einsum('ik,...kj', op, g_orig)