Package csb :: Package statmech :: Module wham :: Class AbstractWHAM

Class AbstractWHAM

object --+
         |
        AbstractWHAM

Known Subclasses:

Abstract base class

Nested Classes
	__metaclass__ Metaclass for defining Abstract Base Classes (ABCs).

Instance Methods

__init__(self, ensembles, raw_energies, n)
x.__init__(...) initializes x; see help(type(x)) for signature

source code

estimate(self, *params)
Estimate the density of states

source code

float

log_g(self, normalize=True)
Return the Density of states (DOS).

source code

float or array

log_z(self, beta=1.0, ensembles=None)
Compute the partition function for an ensemble at inverse temperature beta or for a defined ensemble

source code

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

Class Variables
	__abstractmethods__ = `frozenset(['estimate', 'log_z'])`

Properties
	free_energies Free energies
Inherited from `object`: `__class__`

Method Details

init(self, ensembles, raw_energies, n)
(Constructor)

source code

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

Overrides: object.__init__: (inherited documentation)

log_g(self, normalize=True)

source code

Return the Density of states (DOS).

Parameters:

normalize - Ensure that the density of states sums to one

Returns: float

log_z(self, beta=1.0, ensembles=None)

source code

Compute the partition function for an ensemble at inverse temperature beta or for a defined ensemble

Parameters:

beta (float or list) - Inverse Temperature
ensembles (List of ensembles) - List of ensembles for which the partition function should be evaluated

Returns: float or array

Property Details

free_energies

Free energies

Get Method:: unreachable.free_energies(self) - Free energies

Class AbstractWHAM

__init__(self, ensembles, raw_energies, n) (Constructor)

log_g(self, normalize=True)

log_z(self, beta=1.0, ensembles=None)

free_energies

init(self, ensembles, raw_energies, n)
(Constructor)