dtrj_trans_info¶
-
mdtools.run_time_info.
dtrj_trans_info
(dtrj)[source]¶ Generate basic information about the state transitions in a discrete trajectory.
Deprecated since version 0.0.0.dev0:
mdtools.run_time_info.dtrj_trans_info()
will be replaced bymdtools.run_time_info.dtrj_trans_info_new()
in a future release.- Parameters
dtrj (array_like) – The discrete trajectory. Array of shape
(n, f)
, wheren
is the number of compounds andf
is the number of frames. The elements of dtrj are interpreted as the indices of the states in which a given compound is at a given frame.- Returns
n_stay (int) – Number of compounds that are in the same state in all frames.
always_neg (int) – Number of compounds that are in a negative state in all frames.
never_neg (int) – Number of compounds that are not in a negative state in any frame.
n_frames_neg (int) – Total number of frames with negative states (summed over all compounds).
n_trans (int) – Total number of state transitions.
pos2pos (int) – Total number of Positive -> Positive transitions (transitions from one state with a positive/zero state index to another state with a positive/zero state index).
pos2neg (int) – Number of Positive -> Negative transitions.
neg2pos (int) – Number of Negative -> Positive transitions.
neg2neg (int) – Number of Negative -> Negative transitions.
See also
mdtools.run_time_info.dtrj_trans_info_str()
Create a string containing basic information about the state transitions in a discrete trajectory
Note
Positive states are states with a state index equal(!) to or greater than zero. Negative states are states with a state index less than zero.