mdadash.backend.analyses.msd

MSD Analysis

Classes

`MSDAnalysis`()
`SlidingWindowMSD`(u[, select, dim_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', dim_type: str = 'xyz', show_diffusion_coefficient: bool = False, show_particle_msds: bool = False)[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