From ea2c993432074d9de69d3b7c75579cf719630688 Mon Sep 17 00:00:00 2001 From: jaclark5 Date: Wed, 28 Jan 2026 11:02:11 -0500 Subject: [PATCH] Update warning to be more meaningful --- gufe/components/explicitmoleculecomponent.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/gufe/components/explicitmoleculecomponent.py b/gufe/components/explicitmoleculecomponent.py index 24bb56fa..303cd61a 100644 --- a/gufe/components/explicitmoleculecomponent.py +++ b/gufe/components/explicitmoleculecomponent.py @@ -55,7 +55,7 @@ def __init__(self, rdkit: RDKitMol, name: str = ""): if not any(atom.GetAtomicNum() == 1 for atom in rdkit.GetAtoms()): warnings.warn( - "Molecule doesn't have any hydrogen atoms present. " + f"Molecule, {name}, doesn't have any hydrogen atoms present. " "If this is unexpected, consider loading the molecule with `removeHs=False`" )