Following issues 147 and 206: set/get method for all reaction parameters would
be beneficial for uncertainty and sensitivity analyses (i.e. this would allow
for analytical expressions based on definitions of individual reaction types).
At this point, only the top abstraction level is accessible, which describes
the action of kinetics (via Kinetics.pyx & C++ objects collected in
clib/ct.cpp:KineticsCabinet). As yarmond pointed out, an interface for reaction
parameters at the global level can be ambiguous and existing unimplemented
stubs (e.g. for activation energies) are about to be removed.
It would be nice to be able to access parameter values for individual reactions
as set in the original .cti/.xml files (e.g. using a set of new python objects
that mask the C++ layer for individual reactions, rather than returning a
vector for all reactions at the same time).
Thanks for the consideration.
Original issue reported on code.google.com by ischo...@gmail.com on 3 Mar 2014 at 12:09
Original issue reported on code.google.com by
ischo...@gmail.com
on 3 Mar 2014 at 12:09