Class to do Monte Carlo sampling by using as the set of movements relative positions between rigid bodies. More...

Detailed Description

Class to do Monte Carlo sampling by using as the set of movements relative positions between rigid bodies.

Definition at line 38 of file MonteCarloRelativeMoves.py.

Public Member Functions
def	run_monte_carlo
	Run MonteCarlo sampling to generate possible states for DOMINO. More...

def	run_monte_carlo_with_relative_movers
	Run MonteCarlo sampling to generate possible states for DOMINO. More...

def	set_relative_movers
	Generate the relative models form the transforms. More...

def	set_temperature_pattern
	Set the temperature pattern to use during the Monte Carlo optimizations. More...

Member Function Documentation

def IMP.em2d.MonteCarloRelativeMoves.MonteCarloRelativeMoves.run_monte_carlo ( self )

Run MonteCarlo sampling to generate possible states for DOMINO.

def IMP.em2d.MonteCarloRelativeMoves.MonteCarloRelativeMoves.run_monte_carlo_with_relative_movers ( self )

Run MonteCarlo sampling to generate possible states for DOMINO.

def IMP.em2d.MonteCarloRelativeMoves.MonteCarloRelativeMoves.set_relative_movers	(	self,
		max_translation,
		max_rotation
	)

Generate the relative models form the transforms.

The transforms is a list with triplets [id1, id2, transform_file]

Parameters

max_translation	Maximum translation distance allowed for the moves
max_rotation	Maximum rotation angle allowed for the moves

Definition at line 90 of file MonteCarloRelativeMoves.py.

def IMP.em2d.MonteCarloRelativeMoves.MonteCarloRelativeMoves.set_temperature_pattern	(	self,
		temperatures,
		iterations,
		cycles
	)

Set the temperature pattern to use during the Monte Carlo optimizations.

Parameters

temperatures	List of temperature values
iterations	List with the iterations to do for each of the temperatures.
cycles	Number of repetitions of the pattern of temperatures and iterations

Definition at line 65 of file MonteCarloRelativeMoves.py.

The documentation for this class was generated from the following file: