DOC: Update release history, docstring

openforcefield · Oct 3, 2024 · 884b221 · 884b221
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diff --git a/docs/releasehistory.md b/docs/releasehistory.md
@@ -23,6 +23,7 @@ Please note that all releases prior to a version 1.0.0 are considered pre-releas
 * 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.
+* The `charge_from_molecules` argument must include only molecules that contain partial charges and are non-isomorphic with each other.
 
 ## 0.3.30 - 2024-08
 

diff --git a/openff/interchange/components/interchange.py b/openff/interchange/components/interchange.py
@@ -109,7 +109,9 @@ def from_smirnoff(
             positions are taken from the molecules in topology, if present on all molecules.
         charge_from_molecules : `List[openff.toolkit.molecule.Molecule]`, optional
             If specified, partial charges will be taken from the given molecules
-            instead of being determined by the force field.
+            instead of being determined by the force field. All molecules in this list
+            must have partial charges assigned and must not be isomorphic with any other
+            molecules in the list.
         partial_bond_orders_from_molecules : List[openff.toolkit.molecule.Molecule], optional
             If specified, partial bond orders will be taken from the given molecules
             instead of being determined by the force field.