hkmoffat / cantera

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Python, activationEnergies(), Cantera Error #147

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. phase1 = GRI30()
2. phase1.activationEnergies()
3.

What is the expected output? What do you see instead?
Expecting a vector with the activation energies. 
Getting instead Cantera error:
Procedure: Kinetics::getActivationEnergies
Error:   The default Base class method was called, when the inherited class's 
method should have been called

What version of the product are you using? On what operating system?
Cantera 2.0.1, Windows 7

Please provide any additional information below.

Original issue reported on code.google.com by sps...@gmail.com on 7 Mar 2013 at 4:30

GoogleCodeExporter commented 9 years ago
This method is not currently implemented for the GasKinetics class. I think the 
reason is that it's not really clear what should be returned for anything but 
the simplest reactions. For example, what's the activation energy for a falloff 
reaction? What about a reaction defined as Chebyshev polynomial?

Proposed resolution: remove the activationEnergies / getActivationEnergies 
methods from all interfaces.

Original comment by yarmond on 9 Mar 2013 at 12:40

GoogleCodeExporter commented 9 years ago
For uncertainty and sensitivity analyses, it would be actually nice to have a 
set/get method for all reaction parameter. I am probably going to explore 
whether I can implement these methods by myself in the source code. Any tip or 
pointer is appreciated.

Original comment by sps...@gmail.com on 9 Mar 2013 at 9:09

GoogleCodeExporter commented 9 years ago
I think the challenge there would be figuring how to implement that in a way 
that works well for different kinds of reaction parameterizations. Your best 
bet might be to generalize the "multiplier" concept that's currently used for 
doing sensitivity w.r.t. the pre-exponential factor.

This is well beyond the scope of the reported bug, so if you want to make a 
feature request for this, then you should create a new issue.

Original comment by yarmond on 12 Mar 2013 at 11:04

GoogleCodeExporter commented 9 years ago
This issue was closed by revision r2613.

Original comment by yarmond on 16 Dec 2013 at 11:21

GoogleCodeExporter commented 9 years ago
Issue 206 has been merged into this issue.

Original comment by yarmond on 2 Mar 2014 at 9:12

GoogleCodeExporter commented 9 years ago
Hello,
sps, did you manage to implement this by yourself? I'm currently writing a 
simulation for which the activation energies would come in very handy. I am 
learning to program as I go along and would appreciate some guidance on how you 
managed this.
Thank you in advance.

Original comment by cantu.na...@gmail.com on 28 May 2014 at 1:57