/usr/share/pyshared/ase/test/rotate.py is in python-ase 3.6.0.2515-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 | 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')
|