BioSimSpace.Protocol.Minimisation

class BioSimSpace.Protocol.Minimisation(steps=10000)

A class for storing minimisation protocols.

__init__(steps=10000)

Constructor.

Parameters:steps (int) – The maximum number of steps to perform.

Methods

__init__([steps]) Constructor.
getSteps() Return the maximum number of steps.
setSteps(steps) Set the maximum number of steps.
getSteps()

Return the maximum number of steps.

Returns:steps – The maximum number of minimisation steps.
Return type:int
setSteps(steps)

Set the maximum number of steps.

Parameters:steps (int) – The maximum number of minimisation steps.