meld.system.param_sampling.ScaledExponentialDiscretePrior

class meld.system.param_sampling.ScaledExponentialDiscretePrior(u0, temperature_scaler, scaler)[source]

Exponential prior on a discrete variable, scaled by temperature and force constant.

Parameters

u0 (float) – log_prior in units of kT at T(alpha=0)
temperature_scaler (Optional[TemperatureScaler]) – determines temperature as a function of alpha
scaler (Optional[RestraintScaler]) – scales prior based on alpha

The log_prior is calculated as:

log_prior = u0 * scaler(alpha) * temperature_scaler(0.0) / temperature_scaler(alpha)

Methods

__init__(u0, temperature_scaler, scaler)

log_prior(value, alpha)

Attributes