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[ck2cti] Allow negative reaction orders, with warning

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This commit is contained in:
Jeff Santner 2017-11-14 14:04:45 -08:00 • committed by Ray Speth
parent 0d01d031a9
commit 8f02c777a5
1 changed files with 16 additions and 11 deletions
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27
interfaces/cython/cantera/ck2cti.py
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@ -306,17 +306,6 @@ class Reaction(object):
k_indent = ' ' * (kinstr.find('(') + 1)
options = self.kinetics.options()
if self.duplicate:
options.append('duplicate')
if len(options) == 1:
optStr = repr(options[0])
else:
optStr = repr(options)
if self.duplicate:
kinstr = kinstr[:-1] + ",\n{0}options={1})".format(k_indent, optStr)
if self.fwdOrders:
order = ' '.join('{0}:{1}'.format(k,v)
for (k,v) in self.fwdOrders.items())
@ -325,6 +314,22 @@ class Reaction(object):
if self.ID:
kinstr = kinstr[:-1] + ",\n{0}id={1!r})".format(k_indent, self.ID)
options = self.kinetics.options()
if self.duplicate:
options.append('duplicate')
if any((float(x) < 0 for x in self.fwdOrders.values())):
options.append('negative_orders')
logging.info('Allowing negative reaction order for reaction {0}.'.format(self.index))
if len(options) == 1:
optStr = repr(options[0])
else:
optStr = repr(options)
if options:
kinstr = kinstr[:-1] + ",\n{0}options={1})".format(k_indent, optStr)
return kinstr