From 1de94e0ee12dc5d95e3a904638e2abad239bb921 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Tue, 28 Aug 2012 22:36:26 +0000 Subject: [PATCH] Fixed handling of falloff reactions with specific third bodies --- interfaces/python/ctml_writer.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/interfaces/python/ctml_writer.py b/interfaces/python/ctml_writer.py index c4ef4fb35..7da286874 100644 --- a/interfaces/python/ctml_writer.py +++ b/interfaces/python/ctml_writer.py @@ -1282,15 +1282,16 @@ class falloff_reaction(reaction): if 'M)' in self._r: del self._r['M)'] del self._p['M)'] - if 'm)' in self._r: + elif 'm)' in self._r: del self._r['m)'] del self._p['m)'] else: for r in self._r.keys(): if r[-1] == ')' and r.find('(') < 0: + species = r[:-1] if self._eff: - raise CTI_Error('(+ '+mspecies+') and '+self._eff+' cannot both be specified') - self._eff = r[-1]+':1.0' + raise CTI_Error('(+ '+species+') and '+self._eff+' cannot both be specified') + self._eff = species+':1.0' self._effm = 0.0 del self._r[r]