aspect-data 0.0.4__tar.gz → 0.0.6__tar.gz

{aspect_data-0.0.4 → aspect_data-0.0.6}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: aspect-data
-Version: 0.0.4
+Version: 0.0.6
 Summary: General purpose, chemistry, and taxonomic featurization of tabular data with caching.
 Author-email: Eachan Johnson <eachan.johnson@crick.ac.uk>
 License: MIT License

{aspect_data-0.0.4 → aspect_data-0.0.6}/aspect/__init__.py

@@ -3,3 +3,5 @@ from importlib.metadata import version
 app_name = "aspect-data"
 __author__ = "Eachan Johnson"
 __version__ = version(app_name)
+
+from .data import DataPipeline

aspect_data-0.0.6/aspect/collate/__init__.py

@@ -0,0 +1,2 @@
+from .base import ColumnCollator, resolve_collator
+from .chemprop import chemprop_collate

{aspect_data-0.0.4 → aspect_data-0.0.6}/aspect/collate/base.py

@@ -1,6 +1,7 @@
 """Specialised column collation."""
 
 from collections.abc import Callable, Mapping, Iterable
+from importlib import import_module
 from typing import Any, TypeAlias
 
 from ..typing import Batch
@@ -9,6 +10,28 @@ from ..typing import Batch
 CollateFn: TypeAlias = Callable[[Iterable[Any]], Any]
 
 
+def resolve_collator(path: str) -> CollateFn:
+    """Resolve ``module:attribute`` to a runtime collator."""
+
+    try:
+        module_name, attribute = path.split(":", 1)
+    except ValueError as error:
+        raise ValueError(
+            "Collator path must have form "
+            f"'module:attribute', but was {path!r}."
+        ) from error
+
+    module = import_module(module_name)
+    collator = getattr(module, attribute)
+
+    if not callable(collator):
+        raise TypeError(
+            f"Resolved collator {path!r} is not callable."
+        )
+
+    return collator
+
+
 class ColumnCollator:
     """Override collation for selected dataset columns."""
 
@@ -16,7 +39,13 @@ class ColumnCollator:
         self,
         collators: Mapping[str, CollateFn] | None = None,
     ):
-        self.collators = collators or {}
+        collators = collators or {}
+        if not isinstance(collators, Mapping):
+            raise ValueError(
+                "If provided, `collators` must be a dict, "
+                f"but was {type(collators)}: {collators}"
+            )
+        self.collators = dict(collators)
 
     def __call__(
         self,

{aspect_data-0.0.4 → aspect_data-0.0.6}/aspect/collate/chemprop.py

@@ -95,7 +95,7 @@ def chemprop_collate(
         raise ValueError("Cannot collate an empty Chemprop batch.")
 
     molgraphs = [
-        _molgraph_from_mapping(value["bmg"])
+        _molgraph_from_mapping(value["mg"])
         for value in values
     ]
     bmg = BatchMolGraph(molgraphs)