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Fixed handling of falloff reactions with specific third bodies

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This commit is contained in:
Ray Speth 2012-08-28 22:36:26 +00:00
parent 7ef2bb13e5
commit 1de94e0ee1
1 changed files with 4 additions and 3 deletions
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7
interfaces/python/ctml_writer.py
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@ -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]