def __init__(self, configfile=None):
self._logger = logger()
if configfile:
self.config = Configuration.from_file(configfile)
else:
self.config = Configuration()
self.policy = self.config.policy
self.stock = self.config.stock
self.tree = None
self._target_mol = None
self.search_stats = {}
self.routes = None
self.analysis = None
def test_load_stock(write_yaml, shared_datadir):
stock_filename = str(shared_datadir / "stock1.h5")
filename = write_yaml({"stock": {"files": {"test": stock_filename}}})
config = Configuration.from_file(filename)
assert config.stock.available_stocks() == ["test"]
def test_load_default_mongodb(write_yaml, mocker):
mocked_client = mocker.patch("aizynthfinder.mcts.stock.MongoClient")
filename = write_yaml({"stock": {"mongodb": {}}})
config = Configuration.from_file(filename)
mocked_client.assert_called_with(None)
assert config.stock.available_stocks() == ["mongodb_stock"]
def test_load_policy(write_yaml, shared_datadir, mock_policy_model):
templates_filename = str(shared_datadir / "templates.hdf5")
filename = write_yaml(
{"policy": {
"files": {
"test": ["dummy", templates_filename]
}
}})
config = Configuration.from_file(filename)
assert config.policy.available_policies() == ("test", )
def test_load_specific_mongodb(write_yaml, mocker):
mocked_client = mocker.patch("aizynthfinder.mcts.stock.MongoClient")
filename = write_yaml({
"stock": {
"mongodb": {
"host": "myhost",
"database": "mydatabase",
"collection": "mycollection",
}
}
})
config = Configuration.from_file(filename)
mocked_client.assert_called_with("myhost")
assert config.stock.available_stocks() == ["mongodb_stock"]
config.stock["mongodb_stock"].client.__getitem__.assert_called_with(
"mydatabase")
config.stock["mongodb_stock"].database.__getitem__.assert_called_with(
"mycollection")
def test_update_properties(write_yaml):
filename = write_yaml({
"properties": {
"cutoff_number": 300
},
"policy": {
"properties": {
"C": 1.9
}
},
"finder": {
"properties": {
"time_limit": 300
}
},
})
config = Configuration.from_file(filename)
assert config.cutoff_number == 300
assert config.C == 1.9
assert config.time_limit == 300
def default_config():
return Configuration()
def test_load_empty_file(default_config, write_yaml):
filename = write_yaml({})
config = Configuration.from_file(filename)
assert config == default_config