besmarts.core.configs module

besmarts.core.configs

class besmarts.core.configs.mapper_config(add_nodes, fill_new_nodes, mode)[source]

Bases: object

copy()[source]
class besmarts.core.configs.smarts_extender_config(depth_min: int, depth_max: int, include_hydrogen: bool)[source]

Bases: object

copy()[source]
depth_max: int
depth_min: int
include_hydrogen: bool
class besmarts.core.configs.smarts_perception_config(splitter: smarts_splitter_config, extender: smarts_extender_config)[source]

Bases: object

copy()[source]
extender
splitter
besmarts.core.configs.smarts_perception_config_copy(self)[source]
class besmarts.core.configs.smarts_splitter_config(bit_search_min, bit_search_limit, branch_min, branch_limit, branch_depth_min, branch_depth_limit, unique=True, return_matches=True, max_splits=None, split_general=True, split_specific=True, unique_complements=True, unique_complements_prefer_min=True, primitives=None)[source]

Bases: object

bit_search_limit: None | int
bit_search_min: int
branch_depth_limit: None | int
branch_depth_min: None | int
branch_limit: None | int
branch_min: None | int
copy()[source]
max_splits
primitives
return_matches: bool
split_general
split_specific
unique: bool
unique_complements: bool
unique_complements_prefer_min: bool
class besmarts.core.configs.smiles_perception_config(allow_unconnected, protonate, strip_hydrogen, aromaticity)[source]

Bases: object