Package csb :: Package statistics :: Package samplers :: Package mc :: Module multichain :: Class MDRENS

Class MDRENS

     object --+                    
              |                    
AbstractSampler --+                
                  |                
         AbstractMC --+            
                      |            
     AbstractEnsembleMC --+        
                          |        
         AbstractExchangeMC --+    
                              |    
                   AbstractRENS --+
                                  |
                                 MDRENS

Known Subclasses:

ThermostattedMDRENS

Replica Exchange with Nonequilibrium Switches (RENS, Ballard & Jarzynski 2009) with Molecular Dynamics (MD) trajectories.

Nested Classes
Inherited from `AbstractSampler`: `__metaclass__`

Instance Methods

__init__(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.FastLeapFrog'>)
x.__init__(...) initializes x; see help(type(x)) for signature

source code

Inherited from AbstractExchangeMC: swap

Inherited from AbstractEnsembleMC: sample

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables
	__abstractmethods__ = `frozenset([])`

Properties

Inherited from AbstractExchangeMC: acceptance_rates, param_infos, statistics

Inherited from AbstractEnsembleMC: energy

Inherited from AbstractMC: state

Inherited from object: __class__

Method Details

init(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.FastLeapFrog'>)
(Constructor)

source code

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

samplers (list of AbstractSingleChainMC) - Samplers which sample their respective equilibrium distributions
param_infos (list of MDRENSSwapParameterInfo) - ParameterInfo instance holding information required to perform a MDRENS swap
integrator (type) - Subclass of AbstractIntegrator to be used to calculate the non-equilibrium trajectories

Overrides: object.__init__

(inherited documentation)

Class MDRENS

__init__(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.FastLeapFrog'>) (Constructor)

init(self, samplers, param_infos, integrator=<class 'csb.numeric.integrators.FastLeapFrog'>)
(Constructor)