geometry: preserve numpy fallback without numba

Author: timodonnell

src/pyconfind/geometry.py

@@ -161,7 +161,7 @@ def _place_batch_kernel_python(
         _place_batch_kernel_python, cache=True, fastmath=False, error_model="numpy",
     )
 else:  # pragma: no cover
-    _place_batch_kernel = _place_batch_kernel_python
+    _place_batch_kernel = _place_batch_numpy
 
 
 def place_batch(

tests/test_geometry.py

@@ -6,11 +6,14 @@
 
 from __future__ import annotations
 
+import importlib
+import sys
 from pathlib import Path
 
 import numpy as np
 import pytest
 
+import pyconfind.geometry as geometry
 from pyconfind.geometry import place_batch, place_one
 from pyconfind.pdb import read_structure
 from pyconfind.rotamers import place_rotamers
@@ -58,6 +61,17 @@ def test_place_batch_matches_place_one() -> None:
         )
 
 
+def test_place_batch_without_numba_uses_numpy_fallback(monkeypatch: pytest.MonkeyPatch) -> None:
+    monkeypatch.setitem(sys.modules, "numba", None)
+    reloaded = importlib.reload(geometry)
+    try:
+        assert reloaded._HAS_NUMBA is False
+        assert reloaded._place_batch_kernel is reloaded._place_batch_numpy
+    finally:
+        monkeypatch.undo()
+        importlib.reload(geometry)
+
+
 def _parse_rout(path: Path) -> dict[tuple[str, int, str, int], dict[str, np.ndarray]]:
     out: dict[tuple[str, int, str, int], dict[str, np.ndarray]] = {}
     cur: tuple[str, int, str, int] | None = None