dtraj - Discrete trajectories functions (msmtools.dtraj)¶
Discrete trajectory io¶
read_discrete_trajectory(filename) |
Read discrete trajectory from ascii file. |
read_dtraj(filename) |
Read discrete trajectory from ascii file. |
write_discrete_trajectory(filename, dtraj) |
Write discrete trajectory to ascii file. |
write_dtraj(filename, dtraj) |
Write discrete trajectory to ascii file. |
load_discrete_trajectory(filename) |
Read discrete trajectory form binary file. |
load_dtraj(filename) |
Read discrete trajectory form binary file. |
save_discrete_trajectory(filename, dtraj) |
Write discrete trajectory to binary file. |
save_dtraj(filename, dtraj) |
Write discrete trajectory to binary file. |
Simple statistics¶
count_states(dtrajs[, ignore_negative]) |
returns a histogram count |
visited_set(dtrajs) |
returns the set of states that have at least one count |
number_of_states(dtrajs[, only_used]) |
returns the number of states in the given trajectories. |
index_states(dtrajs[, subset]) |
Generates a trajectory/time indexes for the given list of states |
Sampling trajectory indexes¶
sample_indexes_by_distribution(indexes, ...) |
Samples trajectory/time indexes according to the given probability distributions |
sample_indexes_by_state(indexes, nsample[, ...]) |
Samples trajectory/time indexes according to the given sequence of states |
sample_indexes_by_sequence(indexes, sequence) |
Samples trajectory/time indexes according to the given sequence of states |