mdadash.backend.analyses.msd

Classes

MSDAnalysis()

SlidingWindowMSD(u[, select, msd_type])

Sliding Window MSD

class mdadash.backend.analyses.msd.MSDAnalysis[source]

Bases: WidgetBase

apply_parallel_results(values)[source]

apply parallel results handler

description = 'Mean squared displacement analysis'
get_parallel_job()[source]

get parallel job handler

name = 'MSD Analysis'
on_input_change(attribute, _old_value, new_value)[source]

on_input_change handler

on_post_connect()[source]

on_post_connect handler

on_post_create()[source]

on_post_create handler

run_every_frame()[source]

every-frame run handler

class mdadash.backend.analyses.msd.SlidingWindowMSD(u: Universe, select: str = 'all', msd_type: str = 'xyz')[source]

Bases: object

Sliding Window MSD

Calculate MSD for a sliding window of frames

run(parallel: bool = False) tuple[source]

Run MSD for the current window