-
-
Notifications
You must be signed in to change notification settings - Fork 348
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Deprecate redundant kinetics methods in Python API #1202
Deprecate redundant kinetics methods in Python API #1202
Conversation
1f0098c
to
8ce1924
Compare
8ce1924
to
ab9c4ab
Compare
The method (introduced in f0868c7) is not part of a stable release and holds was intended to facilitate transitional behavior of the Kinetics.reaction_type method. Instead, the Kinetics.reaction_type method is completely replaced by the ReactionRate.type property of a specific Reaction.
Deprecated methods follow the C-API style for reaction-specific information and should be accessed from the associated Reaction object instead.
Codecov Report
@@ Coverage Diff @@
## main #1202 +/- ##
==========================================
- Coverage 65.41% 65.38% -0.03%
==========================================
Files 318 318
Lines 46085 46095 +10
Branches 19604 19604
==========================================
- Hits 30145 30139 -6
- Misses 13426 13442 +16
Partials 2514 2514
Continue to review full report at Codecov.
|
ab9c4ab
to
ed1571e
Compare
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Looks good to me -- I just had one minor suggestion, but I don't think it affects much either way.
Longer term, I'd like to eliminate these from C++ as well, though that would require updating the C / Matlab / Fortran APIs, which currently have no notion of a Reaction
object.
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Thanks @ischoegl! A few small comments.
b9e3e56
to
406ef98
Compare
406ef98
to
0889b09
Compare
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
Ah, I see @speth approved. Feel free to once the checks are all green. |
Changes proposed in this pull request
Kinetics.reaction_type(i)
->Kinetics.reaction(i).reaction_type
Kinetics.is_reversible(i)
->Kinetics.reaction(i).reversible
Kinetics.reaction_equation(i)
->Kinetics.reaction(i).equation
Kinetics.reactants(i)
->Kinetics.reaction(i).reactant_string
Kinetics.products(i)
->Kinetics.reaction(i).product_string
Reaction.__repr__
, where essential information was lost in Eliminate unnecessary specialized Reaction types #1183If applicable, provide an example illustrating new features this pull request is introducing
After #1183, several reactions no longer show specialized information (which is held by the
ReactionRate
), where specifically no identifiable information is shown forChebyshev
andpressure-dependent-Arrhenius
(Plog) (as well as the newBlowers-Masel
andtwo-temperature-plasma
types), e.g.This PR reformats
Reaction.__repr__
to always include information for the rate specialization.Checklist
scons build
&scons test
) and unit tests address code coverage