From de909f61a9173e7c6dddca72805a54f2ed5b694a Mon Sep 17 00:00:00 2001 From: richard gowers Date: Wed, 24 Jan 2024 09:47:10 +0000 Subject: [PATCH] fix case where mapping is a single ComponentMapping --- openfe/protocols/openmm_rfe/equil_rfe_methods.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/openfe/protocols/openmm_rfe/equil_rfe_methods.py b/openfe/protocols/openmm_rfe/equil_rfe_methods.py index e502b3f9d..ddd5cab28 100644 --- a/openfe/protocols/openmm_rfe/equil_rfe_methods.py +++ b/openfe/protocols/openmm_rfe/equil_rfe_methods.py @@ -203,7 +203,7 @@ def _validate_alchemical_components( """ # Check mapping # For now we only allow for a single mapping, this will likely change - if mapping is None or len(mapping) > 1: + if mapping is None or (isinstance(mapping, list) and len(mapping) > 1): errmsg = "A single LigandAtomMapping is expected for this Protocol" raise ValueError(errmsg)