System

BinsBase

Bases: BaseModel

boundaries = Field(default=None)

type = Field(default=None)

BinsMapper

Bases: BaseModel

at = Field(default=None)

bottleneck = Field(default=None)

nbins = Field(default=None)

pca = Field(default=False)

type = Field(default=None)

BinsModel

Bases: BaseModel

base = Field(default_factory=BinsBase)

mappers = Field(default=None)

type = Field(default='RectilinearBinMapper')

This selects the bin mappers which takes vectors of coordinates (or rather, coordinate tuples), and assign each a definite integer value identifying a bin.

See the WESTPA documentation for more information.

SystemConfig

Bases: BaseModel

System settings for WESTPA.

driver = Field(default='westpa.core.systems.WESTSystem')

An import string to a WESTPA system representation. Additional documentation can be found here.

module_path = None

Path where the class is defined.

system_options = Field(default_factory=SystemOptions)

TODO:

SystemOptions

Bases: BaseModel

bin_target_counts = [1]

A vector of target counts, one per bin.

bins = Field(default_factory=BinsModel)

pcoord_dtype = Field(default='np.float64')

The data type of the progress coordinate, which must be callable.

pcoord_len = Field(default=2)

The length of the progress coordinate time series generated by each segment, including both the initial and final values.

pcoord_ndim = Field(default=1)

The number of dimensions in the progress coordinate.