From 756c631a9ca2c2e12db258319c95ef611e10559a Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Mon, 8 May 2023 22:47:34 -0700 Subject: [PATCH] update product template after generation --- rmgpy/data/kinetics/family.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/rmgpy/data/kinetics/family.py b/rmgpy/data/kinetics/family.py index 72463aa8fc..08b5483a6e 100644 --- a/rmgpy/data/kinetics/family.py +++ b/rmgpy/data/kinetics/family.py @@ -821,6 +821,9 @@ def load(self, path, local_context=None, global_context=None, depository_labels= self.reverse = local_context.get('reverse', None) self.reversible = True if local_context.get('reversible', None) is None else local_context.get('reversible', None) self.forward_template.products = self.generate_product_template(self.forward_template.reactants) + for entry in self.forward_template.products: + if isinstance(entry.item,Group): + entry.item.update() if self.reversible: self.reverse_template = Reaction(reactants=self.forward_template.products, products=self.forward_template.reactants)