def test_map(): coords = [np.random.rand(10, 3) for i in range(10)] t = np.arange(0, 10, 0.1) traj = Trajectory(coords, t) summed_coords = traj.map(np.sum, attributes="coords") print np.array(list(summed_coords))
def test_attributes(): coords = [np.random.rand(10, 3) for i in range(10)] t = np.arange(0, 10, 0.1) traj = Trajectory(coords, t) system = System.from_arrays(r_array=coords[0]) system.update(traj.at(1)) npeq_(system.r_array, coords[1])
def test_init(): coords = [np.random.rand(10, 3) for i in range(10)] t = np.arange(0, 10, 0.1) traj = Trajectory(coords, t) npeq_(traj.at(1)["coords"], coords[1])