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import numpy as np
from ase.utils import rotate, irotate
def test(xyz):
a = rotate(xyz)
ixyz = '%sx,%sy,%sz' % irotate(a)
a2 = rotate(ixyz)
print(xyz)
print(ixyz)
#print np.around(a-a2, 5)
assert abs(a-a2).max() < 1e-10
test('10z')
test('155x,43y,190z')
test('55x,90y,190z')
test('180x,-90y,45z')
test('-180y')
test('40z,50x')
from math import sqrt
from ase import Atoms, Atom
norm = np.linalg.norm
for eps in [1.e-6, 1.e-8]:
struct = Atoms([Atom('H'),
Atom('H',[0, sqrt(1-eps**2), eps])])
struct.rotate(struct[1].position, 'y')
assert abs(norm(struct[1].position) - 1) < 1.e-12
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