def __init__(self, config, root_smiles=None):
if root_smiles:
self.root = Node.create_root(smiles=root_smiles, tree=self, config=config)
else:
self.root = None
self._config = config
self._graph = None
def __init__(self, config: Configuration, root_smiles: str = None) -> None:
if root_smiles:
self.root: Optional[Node] = Node.create_root(smiles=root_smiles,
tree=self,
config=config)
else:
self.root = None
self.config = config
self._graph: Optional[nx.DiGraph] = None
def wrapper(smiles):
return Node.create_root(smiles, tree=None, config=default_config)