From cfd455f66a09f267856ded095f089e173d768554 Mon Sep 17 00:00:00 2001 From: Richard West Date: Tue, 4 Dec 2018 16:39:28 -0500 Subject: [PATCH] Don't check collision limit violations for surface reactions. Closes https://github.com/cfgoldsmith/RMG-Py/issues/46 --- rmgpy/rmg/main.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/rmgpy/rmg/main.py b/rmgpy/rmg/main.py index 72559c91277..d6083dcbd63 100644 --- a/rmgpy/rmg/main.py +++ b/rmgpy/rmg/main.py @@ -977,6 +977,9 @@ def check_model(self): violators = [] num_rxn_violators = 0 for rxn in self.reactionModel.core.reactions: + if rxn.isSurfaceReaction(): + # Don't check collision limits for surface reactions. + continue violator_list = rxn.check_collision_limit_violation(t_min=self.Tmin, t_max=self.Tmax, p_min=self.Pmin, p_max=self.Pmax) if violator_list: