Fix circular imports

Author: cthoyt

README.md

@@ -75,7 +75,7 @@ python -m chebifier predict --help
 You can also use the package programmatically:
 
 ```python
-from chebifier.ensemble.base_ensemble import BaseEnsemble
+from chebifier import BaseEnsemble
 
 # Instantiate ensemble model. If desired, can pass
 # a path to a configuration, like 'configs/example_config.yml'

chebifier/__init__.py

@@ -1,7 +1,11 @@
 # Note: The top-level package __init__.py runs only once,
 # even if multiple subpackages are imported later.
 
-from ._custom_cache import PerSmilesPerModelLRUCache
+from ._custom_cache import PerSmilesPerModelLRUCache, modelwise_smiles_lru_cache
+from chebifier.ensemble.base_ensemble import BaseEnsemble
 
-
-modelwise_smiles_lru_cache = PerSmilesPerModelLRUCache(max_size=100)
+__all__ = [
+    "BaseEnsemble",
+    "PerSmilesPerModelLRUCache",
+    "modelwise_smiles_lru_cache",
+]

chebifier/_custom_cache.py

@@ -6,6 +6,11 @@
 from functools import wraps
 from typing import Any, Callable
 
+__all__ = [
+    "PerSmilesPerModelLRUCache",
+    "modelwise_smiles_lru_cache",
+]
+
 
 class PerSmilesPerModelLRUCache:
     """
@@ -206,3 +211,6 @@ def _load_cache(self) -> None:
                         self._cache = loaded
             except Exception as e:
                 print(f"[Cache Load Error] {e}")
+
+
+modelwise_smiles_lru_cache = PerSmilesPerModelLRUCache(max_size=100)

chebifier/prediction_models/base_predictor.py

@@ -1,7 +1,7 @@
 import json
 from abc import ABC
 
-from chebifier import modelwise_smiles_lru_cache
+from .._custom_cache import modelwise_smiles_lru_cache
 
 
 class BasePredictor(ABC):