odatse.algorithm.state module

class odatse.algorithm.state.ContinuousStateSpace(domain, info_param, rng, limitation)

Bases: StateSpace

_wrap_pbc(x: ndarray) → ndarray

Wrap coordinates into [xmin, xmax) for dimensions with PBC.

class odatse.algorithm.state.DiscreteStateSpace(domain, info_param, rng)

Bases: StateSpace

_setup_neighbour(info_param)

Set up the neighbor list for the discrete problem.

Parameters:

info_param (dict) – Dictionary containing algorithm parameters, including the path to the neighbor list file.

Raises:

• KeyError – If neither a neighbor-list/mesh path nor radius is specified in the parameters.

• RuntimeError – If the transition graph made from the neighbor list is not connected or not bidirectional.

class odatse.algorithm.state.StateSpace

Bases: ABC