def create_randomized_model(num,dir=dir):
lattice_param = 1
perfect = icosahedron(lattice_param,save=True,filename='icosahedron.perfect.xyz')
perfect.write(perfect.filename)
return 0
for i in range(num):
print(i)
a = random.uniform(0,360)
b = random.uniform(0,360)
c = random.uniform(0,360)
#a = random.randrange(0,345,15)
#b = random.randrange(0,345,15)
#c = random.randrange(0,345,15)
imperfect = copy.deepcopy(perfect)
perturb_atom(imperfect,axis='all')
#swap_atom(imperfect)
imperfect.write_real_xyz(dir+'icosahedron.{0}.random.xyz'.format(i))
convert(imperfect,'polyhedron',dir+'icosahedron.{0}.random.txt'.format(i))
rotate(imperfect, a, b, c, degree=True)
imperfect.write_real_xyz(dir+'icosahedron.{0}.random.rot.xyz'.format(i))
convert(imperfect,'polyhedron',dir+'icosahedron.{0}.random.rot.txt'.format(i))
def rotate(self, array=None, alpha=None, beta=None, gamma=None, degree=True, invert=True):
rotate_3d.rotate(self, array, alpha, beta, gamma, degree, invert)