def load_traj():
"Load up a 3 frame, 4 atom trajectory for testing"
empty = np.array([])
frame0 = np.array([[1, 1, 1], [2, 2, 2], [3, 3, 3], [4, 4, 4]])
frame1 = np.array([[-1, -1, -1], [-2, -2, -2], [-3, -3, -3], [-4, -4, -4]])
frame2 = np.array([[1, 2, 1], [3, 2, 2], [3, 4, 3], [5, 4, 4]])
traj = Trajectory({
'ChainID': empty,
'AtomNames': empty,
'ResidueNames': empty,
'ResidueID': empty,
'AtomID': empty,
'XYZList': np.empty(shape=(3, 4, 3))
})
traj['XYZList'][0] = frame0
traj['XYZList'][1] = frame1
traj['XYZList'][2] = frame2
return traj
import functools
import nose
