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[ck2cti] Allowing negative reaction orders requires '--permissive' option

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This commit is contained in:
Ray Speth 2017-12-02 13:59:09 -05:00
parent 8f02c777a5
commit 4771874c75
1 changed files with 8 additions and 4 deletions
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12
interfaces/cython/cantera/ck2cti.py
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@ -256,9 +256,10 @@ class Reaction(object):
"""
def __init__(self, index=-1, reactants=None, products=None, kinetics=None,
def __init__(self, parser, index=-1, reactants=None, products=None, kinetics=None,
reversible=True, duplicate=False, fwdOrders=None,
thirdBody=None, ID=''):
self.parser = parser
self.index = index
self.reactants = reactants # list of (stoichiometry, species) tuples
self.products = products # list of (stoichiometry, specis) tuples
@ -320,7 +321,8 @@ class Reaction(object):
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))
self.parser.warn('Negative reaction order for reaction {} ({}{}{}).'.format(
self.index, self.reactantString, arrow, self.productString))
if len(options) == 1:
optStr = repr(options[0])
@ -1239,7 +1241,8 @@ class Parser(object):
raise InputParseError("Failed to find reactant/product delimiter in reaction string.")
# Create a new Reaction object for this reaction
reaction = Reaction(reactants=[], products=[], reversible=reversible)
reaction = Reaction(reactants=[], products=[], reversible=reversible,
parser=self)
def parseExpression(expression, dest):
falloff3b = None
@ -1362,7 +1365,8 @@ class Parser(object):
revReaction = Reaction(reactants=reaction.products,
products=reaction.reactants,
thirdBody=reaction.thirdBody,
reversible=False)
reversible=False,
parser=self)
revReaction.kinetics = Arrhenius(
A=(float(tokens[0].strip()), klow_units),