def __init__(self,
configfile: str = None,
configdict: StrDict = None) -> None:
self._logger = logger()
if configfile:
self.config = Configuration.from_file(configfile)
elif configdict:
self.config = Configuration.from_dict(configdict)
else:
self.config = Configuration()
self.expansion_policy = self.config.expansion_policy
self.filter_policy = self.config.filter_policy
def __init__(self, configfile=None, configdict=None):
self._logger = logger()
if configfile:
self.config = Configuration.from_file(configfile)
elif configdict:
self.config = Configuration.from_dict(configdict)
else:
self.config = Configuration()
self.expansion_policy = self.config.expansion_policy
self.filter_policy = self.config.filter_policy
self.stock = self.config.stock
self.scorers = self.config.scorers
self.tree = None
self._target_mol = None
self.search_stats = {}
self.routes = None
self.analysis = None
def __init__(self, configfile: str = None, configdict: StrDict = None) -> None:
self._logger = logger()
if configfile:
self.config = Configuration.from_file(configfile)
elif configdict:
self.config = Configuration.from_dict(configdict)
else:
self.config = Configuration()
self.expansion_policy = self.config.expansion_policy
self.filter_policy = self.config.filter_policy
self.stock = self.config.stock
self.scorers = self.config.scorers
self.tree: Optional[SearchTree] = None
self._target_mol: Optional[Molecule] = None
self.search_stats: StrDict = dict()
self.routes = RouteCollection([])
self.analysis: Optional[TreeAnalysis] = None
def default_config():
return Configuration()
