Closed GoogleCodeExporter closed 9 years ago
The C++ function Kinetics.reactionString actually does include "+M" for
three-body and "(+M)" for falloff reactions, but the Python interface
reimplements this function (inaccurately), presumably because translating C++
strings to Python strings is kind of tricky.
I'm currently working on a new Python module written in Cython that makes use
of the underlying C++ functions directly, so the inclusion of the third-body
will be taken care of automatically once that's done.
I like the idea of being able to specify the string used for the reaction
arrows, though that really should be implemented at the C++ level so it's
present in all the interfaces. It might be interesting to combine the "latex"
style with a formatter that made the element quantities into subscripts as well.
I'm not sure I understand the use case for specifying the direction of the
arrow besides what's indicated by the reaction's reversibility.
Original comment by yarmond
on 28 Aug 2012 at 4:34
The direction of the arrow was actually the reason for me to start this issue.
I was plotting forward and reverse reaction rates and needed an identifier to
distinguish between those two. I agree with you that only few people are going
to use this feature, though.
Original comment by thetruet...@googlemail.com
on 28 Aug 2012 at 4:54
In that case, would be better to just provide 'reactantString' and
'productString' functions, and you can join them with whatever delimiter you
like?
Original comment by yarmond
on 29 Aug 2012 at 6:35
You're right, this is probably more intuitive and more general as well.
Original comment by thetruet...@googlemail.com
on 30 Aug 2012 at 7:46
This issue was closed by revision r3018.
Original comment by yarmond
on 20 Jun 2014 at 6:45
Original issue reported on code.google.com by
thetruet...@googlemail.com
on 28 Aug 2012 at 2:42Attachments: