DOC: Update annotations, release history

openforcefield · Sep 30, 2024 · 2cace3f · 2cace3f
1 parent 95b051c
commit 2cace3f
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Showing 4 changed files with 5 additions and 4 deletions.
diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -22,6 +22,7 @@ Please note that all releases prior to a version 1.0.0 are considered pre-releas
 * Several classes and methods which were deprecated in the 0.3 line of releases are now removed.
 * Previously-deprecated examples are removed.
 * `ProperTorsionKey` no longer accepts an empty tuple as atom indices.
+* Fixes a regression in which some `ElectrostaticsCollection.charges` properties did not return cached values.
 
 ## 0.3.30 - 2024-08
 

diff --git a/openff/interchange/common/_nonbonded.py b/openff/interchange/common/_nonbonded.py
@@ -105,13 +105,13 @@ class ElectrostaticsCollection(_NonbondedCollection):
     # _charges: dict[Any, _ElementaryChargeQuantity] = PrivateAttr(default_factory=dict)
     _charges_cached: bool = PrivateAttr(default=False)
 
-    @computed_field
+    @computed_field  # type: ignore[misc]
     @property
     def charges(
         self,
     ) -> dict[TopologyKey | LibraryChargeTopologyKey | VirtualSiteKey, _ElementaryChargeQuantity]:
         """Get the total partial charge on each atom, including virtual sites."""
-        if len(self._charges) == 0 or self._charges_cached is False:
+        if len(self._charges) == 0 or self._charges_cached is False:  # type: ignore[has-type]
             self._charges = self._get_charges(include_virtual_sites=False)
             self._charges_cached = True
 

diff --git a/openff/interchange/components/potentials.py b/openff/interchange/components/potentials.py
@@ -33,7 +33,7 @@
 if has_package("jax"):
     from jax import Array
 else:
-    Array = Any
+    Array = Any  # type: ignore
 
 
 class Potential(_BaseModel):

diff --git a/openff/interchange/smirnoff/_nonbonded.py b/openff/interchange/smirnoff/_nonbonded.py
@@ -298,7 +298,7 @@ def _charges_without_virtual_sites(
         """Get the total partial charge on each atom, excluding virtual sites."""
         return self._get_charges(include_virtual_sites=False)
 
-    @computed_field
+    @computed_field  # type: ignore[misc]
     @property
     def charges(
         self,