search

jcaiuwyo / cantera

Automatically exported from code.google.com/p/cantera
0 stars 0 forks source link

Full access to reaction parameters from cython interface #208

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago 
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