Checkpointing¶

BaseChkptMol¶

Base class for checkpointed molecules. Not to be used directly. All times are in seconds.

Attributes:¶

id: int¶

species: Species¶

diffusion_time: float¶

birthday: float¶

flags: int¶

unimol_rxn_time: float¶

- default argument value in constructor: None

ChkptSurfMol¶

Class representing a checkpointed surface molecule. Not to be used directly.

Attributes:¶

pos: Vec2¶

orientation: Orientation¶

geometry_object: GeometryObject¶

wall_index: int¶

grid_tile_index: int¶

id: int¶

species: Species¶

diffusion_time: float¶

birthday: float¶

flags: int¶

unimol_rxn_time: float¶

- default argument value in constructor: None

ChkptVolMol¶

Class representing a checkpointed volume molecule. Not to be used directly.

Attributes:¶

pos: Vec3¶

id: int¶

species: Species¶

diffusion_time: float¶

birthday: float¶

flags: int¶

unimol_rxn_time: float¶

- default argument value in constructor: None

RngState¶

Internal checkpointing structure holding state of the random number generator.

Attributes:¶

randcnt: int¶

aa: int¶

bb: int¶

cc: int¶

randslr: List[int]¶

Must contain RNG_SIZE items.

mm: List[int]¶

Must contain RNG_SIZE items.

rngblocks: int¶

Must contain RNG_SIZE items.