run_time_info

Classes and functions for getting run time information.

This module can be called from mdtools via the shortcut rti:

import mdtools as mdt
mdt.rti  # instead of mdt.run_time_info

Functions

ag_info_str

Create a string containing information about an MDAnalysis AtomGroup.

dtrj_trans_info

Generate basic information about the state transitions in a discrete trajectory.

dtrj_trans_info_str

Create a string containing basic information about the state transitions in a discrete trajectory.

get_num_CPUs

Get the number of available CPUs.

mem_usage

Get current memory usage.

run_time_info

Generate some run time information.

run_time_info_str

Create a string containing some run time information.

Classes

ProgressBar

Display a visual progress bar and time estimate.