System
schemas.workflow.westpa.cfg.system.BinsBase
¶
schemas.workflow.westpa.cfg.system.BinsMapper
¶
Bases: BaseModel
at: list[float] | None = Field(default=None)
class-attribute
instance-attribute
¶
bottleneck: bool | None = Field(default=None)
class-attribute
instance-attribute
¶
nbins: list[int] | None = Field(default=None)
class-attribute
instance-attribute
¶
pca: bool = Field(default=False)
class-attribute
instance-attribute
¶
type: str | None = Field(default=None)
class-attribute
instance-attribute
¶
schemas.workflow.westpa.cfg.system.BinsModel
¶
Bases: BaseModel
base: BinsBase | None = Field(default_factory=BinsBase)
class-attribute
instance-attribute
¶
mappers: list[BinsMapper] | None = Field(default=None)
class-attribute
instance-attribute
¶
type: str | None = Field(default='RectilinearBinMapper')
class-attribute
instance-attribute
¶
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.
schemas.workflow.westpa.cfg.system.SystemConfig
¶
Bases: BaseModel
System settings for WESTPA.
driver: str = Field(default='westpa.core.systems.WESTSystem')
class-attribute
instance-attribute
¶
An import string to a WESTPA system representation. Additional documentation can be found here.
module_path: str | None = None
class-attribute
instance-attribute
¶
Path where the class is defined.
system_options: SystemOptions = Field(default_factory=SystemOptions)
class-attribute
instance-attribute
¶
TODO:
schemas.workflow.westpa.cfg.system.SystemOptions
¶
Bases: BaseModel
bin_target_counts: list[int] = [1]
class-attribute
instance-attribute
¶
A vector of target counts, one per bin.
bins: BinsModel | None = Field(default_factory=BinsModel)
class-attribute
instance-attribute
¶
pcoord_dtype: str = Field(default='np.float64')
class-attribute
instance-attribute
¶
The data type of the progress coordinate, which must be callable.
pcoord_len: int = Field(default=2)
class-attribute
instance-attribute
¶
The length of the progress coordinate time series generated by each segment, including both the initial and final values.
pcoord_ndim: int = Field(default=1)
class-attribute
instance-attribute
¶
The number of dimensions in the progress coordinate.