From 49e67839cb217c00e3c44dae16238cab8e1fa694 Mon Sep 17 00:00:00 2001 From: Anna Doner Date: Mon, 12 Aug 2024 16:59:46 -0400 Subject: [PATCH] reset to main, then added check for reversibility before treating a reaction as pdep --- rmgpy/rmg/model.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/rmgpy/rmg/model.py b/rmgpy/rmg/model.py index 1ab45dc67c..994bdf5558 100644 --- a/rmgpy/rmg/model.py +++ b/rmgpy/rmg/model.py @@ -849,6 +849,8 @@ def process_new_reactions(self, new_reactions, new_species, pdep_network=None, g pdep = rxn.generate_high_p_limit_kinetics() elif any([any([x.is_subgraph_isomorphic(q) for q in self.unrealgroups]) for y in rxn.reactants + rxn.products for x in y.molecule]): pdep = False + elif not rxn.reversible: + pdep = False # If pressure dependence is on, we only add reactions that are not unimolecular; # unimolecular reactions will be added after processing the associated networks