Exemple #1
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 def __post_init__(self) -> None:
     self._properties: StrDict = {}
     self.stock = Stock()
     self.expansion_policy = ExpansionPolicy(self)
     self.filter_policy = FilterPolicy(self)
     self.scorers = ScorerCollection(self)
     self.molecule_cost = MoleculeCost()
     self._logger = logger()
Exemple #2
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    def __post_init__(self) -> None:
        self._properties: StrDict = {}
        filename = os.path.join(data_path(), "config.yml")
        with open(filename, "r") as fileobj:
            _config = yaml.load(fileobj.read(), Loader=yaml.SafeLoader)
        self._update_from_config(_config)

        self.stock = Stock()
        self.expansion_policy = ExpansionPolicy(self)
        self.filter_policy = FilterPolicy(self)
        self.scorers = ScorerCollection(self)
        self._logger = logger()
Exemple #3
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def stock():
    stock = Stock()
    return stock