dtrj_trans_info
- mdtools.run_time_info.dtrj_trans_info(dtrj)[source]
Generate basic information about the state transitions in a discrete trajectory.
- 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.