def init():
p = [None, np.asarray([0., 0., 1.])]
S = 1. / np.sqrt(2.)
U1 = np.identity(3)
U2 = np.asarray([[S, 0, S], [0, 1, 0], [S, 0, -S]])
for _p in p:
p2 = 0 if _p is None else np.dot(_p, _p)
try:
_g = gc.TOh.read(p2=p2)
if np.allclose(_g.U3, U1):
g.append(_g)
gt.append(gc.TOh(pref=_p, irreps=True, U3=U2))
elif np.allclose(_g.U3, U2):
gt.append(_g)
a = gc.TOh(pref=_p, irreps=True, U3=U1)
a.save()
g.append(a)
else:
raise IOError
except IOError:
a = gc.TOh(pref=_p, irreps=True, U3=U1)
a.save()
g.append(a)
gt.append(gc.TOh(pref=_p, irreps=True, U3=U2))
if not g or not gt:
print("at least one list is empty")
def init_groups(p2max=4,
prefs=None,
U2=None,
U3=None,
U4=None,
path=None,
fname=None):
groups = []
# check reference vectors
if prefs is None:
_prefs = [[0., 0., 0.], [0., 0., 1.], [1., 1., 0.], [1., 1., 1.],
[0., 0., 2.], [0., 1., 2.], [1., 1., 2.]]
if p2max > 6:
_p2max = 6
else:
_p2max = p2max
else:
_prefs = prefs
if p2max > len(_prefs):
_p2max = len(_prefs)
else:
_p2max = p2max
# check basis change matrices
if U2 is None:
_U2 = np.identity(2)
else:
_U2 = U2
if U3 is None:
_U3 = np.identity(3)
else:
_U3 = U3
if U4 is None:
_U4 = np.identity(4)
else:
_U4 = U4
for p2 in range(p2max):
try:
_g = gc.TOh.read(p2=p2, path=path)
if (not np.allclose(_g.U4, _U4) or not np.allclose(_g.U3, _U3)
or not np.allclose(_g.U2, _U2)):
raise IOError("redo computation")
except IOError:
_g = gc.TOh(pref=prefs[p2], irreps=True, U4=_U4, U3=_U3, U2=_U2)
_g.save(path=path, fname=fname)
groups.append(_g)
return groups
def test_wrong_init(self):
self.assertRaises(RuntimeError, gb.TOhBasis, gc.TOh())
"""Unit test for the group class
"""
import unittest
import numpy as np
import utils
import group_class_quat as gc
import group_basis_quat as gb
try:
g0 = gc.TOh.read(p2=0)
except IOError:
g0 = gc.TOh(irreps=True)
g0.save()
try:
g1 = gc.TOh.read(p2=1)
except IOError:
g1 = gc.TOh(irreps=True)
g1.save()
#@unittest.skip("skip base tests")
class TestBasis(unittest.TestCase):
@classmethod
def setUpClass(self):
self.basis = gb.TOhBasis(g0)
def setUp(self):
self.addTypeEqualityFunc(np.ndarray, utils.check_array)
def setUpClass(self):
tmp = np.asarray([1., 1., 0.])
self.group = gc.TOh(pref=tmp)
def setUpClass(self):
tmp = np.asarray([0., 0., 1.])
self.group = gc.TOh(pref=tmp, debug=0)
def setUpClass(self):
self.pref = np.asarray([1., 1., 1.])
self.group = gc.TOh(self.pref, withinversion=True, irreps=True, debug=0)
def setUpClass(self):
self.pref = np.asarray([0., 0., 1.])
S = 1./np.sqrt(2.)
self.U = np.asarray([[S,0,S],[0,1,0],[S,0,-S]])
self.group = gc.TOh(self.pref, withinversion=True, irreps=True, U3=self.U)
self.g1 = gc.TOh(self.pref, withinversion=True, irreps=True)
def setUpClass(self):
self.group = gc.TOh(withinversion=True, irreps=True)
def setUpClass(self):
self.group = gc.TOh()