meld.system.scalers.PlateauSmoothScaler

class meld.system.scalers.PlateauSmoothScaler(alpha_min, alpha_one, alpha_two, alpha_max, strength_at_alpha_min=1.0, strength_at_alpha_max=0.001)[source]

Bases: meld.system.scalers.RestraintScaler

A scaler with a plateau shape

This scaler linearly interpolates between 0 and 1 from alpha_min to alpha_one, keeps the value of 1 until alpha_two and then decreases linearly until 0 in alpha_max.

__init__(alpha_min, alpha_one, alpha_two, alpha_max, strength_at_alpha_min=1.0, strength_at_alpha_max=0.001)[source]

Initialize a PlateauSmoothScaler

Parameters
  • alpha_min (float) – minimum alpha value

  • alpha_one (float) – lower range of plateau

  • alpha_two (float) – upper range of plateau

  • alpha_max (float) – maximum alpha value

  • strength_at_alpha_min (float) – strength when alpha <= alpha_min

  • strength_at_alpha_max (float) – strength when alpha >= alpha_max

Methods

__init__(alpha_min, alpha_one, alpha_two, ...)

Initialize a PlateauSmoothScaler