{"action":"closed","issue":{"url":"https://api.github.com/repos/mdtraj/mdtraj/issues/792","labels_url":"https://api.github.com/repos/mdtraj/mdtraj/issues/792/labels{/name}","comments_url":"https://api.github.com/repos/mdtraj/mdtraj/issues/792/comments","events_url":"https://api.github.com/repos/mdtraj/mdtraj/issues/792/events","html_url":"https://github.com/mdtraj/mdtraj/issues/792","id":66944767,"number":792,"title":"add unit (nm) in doc","user":{"login":"hainm","id":4451957,"avatar_url":"https://avatars.githubusercontent.com/u/4451957?v=3","gravatar_id":"","url":"https://api.github.com/users/hainm","html_url":"https://github.com/hainm","followers_url":"https://api.github.com/users/hainm/followers","following_url":"https://api.github.com/users/hainm/following{/other_user}","gists_url":"https://api.github.com/users/hainm/gists{/gist_id}","starred_url":"https://api.github.com/users/hainm/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/hainm/subscriptions","organizations_url":"https://api.github.com/users/hainm/orgs","repos_url":"https://api.github.com/users/hainm/repos","events_url":"https://api.github.com/users/hainm/events{/privacy}","received_events_url":"https://api.github.com/users/hainm/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":2,"created_at":"2015-04-07T17:29:45Z","updated_at":"2015-04-07T18:44:22Z","closed_at":"2015-04-07T18:44:22Z","body":"Hi,\r\n\r\nI am working on stealing mdtraj' objects to [pytraj] (https://github.com/pytraj/pytraj) and having hard time to assert the result (like comparing distances from mdtraj and pytraj calculation). It turned out that pytraj used Angstrom for unit and mdtraj use nm (?).\r\n\r\nSince mdtraj targets wider audience, it's really great if you can add unit to the doc in method.\r\n\r\n    Definition:  md.compute_distances(traj, atom_pairs, periodic=True, opt=True)\r\n    Docstring:\r\n    Compute the distances between pairs of atoms in each frame.\r\n\r\n    Parameters\r\n    ----------\r\n    traj : Trajectory\r\n        An mtraj trajectory.\r\n    atom_pairs : np.ndarray, shape=(num_pairs, 2), dtype=int\r\n        Each row gives the indices of two atoms involved in the interaction.\r\n    periodic : bool, default=True\r\n        If `periodic` is True and the trajectory contains unitcell\r\n        information, we will compute distances under the minimum image\r\n        convention.\r\n    opt : bool, default=True\r\n        Use an optimized native library to calculate distances. Our optimized\r\n        SSE minimum image convention calculation implementation is over 1000x\r\n        faster than the naive numpy implementation.\r\n\r\n    Returns\r\n    -------\r\n    distances : np.ndarray, shape=(n_frames, num_pairs), dtype=float\r\n        The distance, in each frame, between each pair of atoms.\r\n"}}