def from_dict(cls, dict_: StrDict, config: Configuration,
molecules: MoleculeDeserializer) -> "State":
"""
Create a new state from a dictionary, i.e. deserialization
:param dict_: the serialized state
:type dict_: dict
:param config: settings of the tree search algorithm
:type config: Configuration
:param molecules: the deserialized molecules
:type molecules: MoleculeDeserializer
:return: a deserialized state
:rtype: State
"""
mols = molecules.get_tree_molecules(dict_["mols"])
return State(mols, config)
def from_dict(
cls,
dict_: StrDict,
tree: SearchTree,
config: Configuration,
molecules: MoleculeDeserializer,
parent: "Node" = None,
) -> "Node":
"""
Create a new node from a dictionary, i.e. deserialization
:param dict_: the serialized node
:param tree: the search tree
:param config: settings of the tree search algorithm
:param molecules: the deserialized molecules
:param parent: the parent node
:return: a deserialized node
"""
state = State.from_dict(dict_["state"], config, molecules)
node = Node(state=state, owner=tree, config=config, parent=parent)
node.is_expanded = dict_["is_expanded"]
node.is_expandable = dict_["is_expandable"]
node._children_values = dict_["children_values"]
node._children_priors = dict_["children_priors"]
node._children_visitations = dict_["children_visitations"]
node._children_actions = []
for action in dict_["children_actions"]:
mol = molecules.get_tree_molecules([action["mol"]])[0]
node._children_actions.append(
RetroReaction(
mol,
action["smarts"],
action["index"],
action.get("metadata", {}),
)
)
node._children = [
Node.from_dict(child, tree, config, molecules, parent=node)
if child
else None
for child in dict_["children"]
]
return node