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Add "negative_A" option if required in cti files #68

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Add "negative_A" option if required in cti files #68

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1eaa17d
Add "negative_A" option if required in cti files
ajuluc Sep 12, 2019
a03740d
Update soln2cti.py
ajuluc Sep 13, 2019
dd495bb
Merge branch 'master' into negativeA
kyleniemeyer Sep 13, 2019
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5 changes: 4 additions & 1 deletion pymars/soln2cti.py
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Original file line number Diff line number Diff line change
Expand Up @@ -432,7 +432,10 @@ def write(solution, output_filename='', path=''):
raise NotImplementedError(f'Unsupported reaction type: {type(reaction)}')

if reaction.duplicate:
reaction_string += ',\n' + indent[8] + 'options = "duplicate"'
if getattr(reaction, 'allow_negative_pre_exponential_factor', default=False):
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Remove the default= so this line is

if getattr(reaction, 'allow_negative_pre_exponential_factor', False):

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@ajuluc ajuluc Sep 13, 2019 •
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I already made that change on my local version of the solution file. I'll adjust it here on the pull request as well.

reaction_string += ',\n' + indent[8] + 'options = ["negative_A", "duplicate"]'
else:
reaction_string += ',\n' + indent[8] + 'options = "duplicate"'

reaction_string += ')\n\n'
the_file.write(reaction_string)
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