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Fix Chebyshev rate constant when using local quantity units #600

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merged 1 commit into from
Mar 1, 2019

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speth
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@speth speth commented Feb 26, 2019

Since the leading Chebyshev coefficient has effective units like log(cm^3/kmol), it needs to be converted directly to the default units of the CTI file.

Analogous to the fix for PLOG reactions in #435.

@speth speth added bug Input Input parsing and conversion (for example, ck2yaml) labels Feb 26, 2019
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codecov bot commented Feb 26, 2019

Codecov Report

Merging #600 into master will increase coverage by <.01%.
The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #600      +/-   ##
==========================================
+ Coverage    68.5%   68.51%   +<.01%     
==========================================
  Files         363      363              
  Lines       39957    39959       +2     
==========================================
+ Hits        27374    27376       +2     
  Misses      12583    12583
Impacted Files Coverage Δ
test/kinetics/pdep.cpp 100% <100%> (ø) ⬆️

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codecov bot commented Feb 26, 2019

Codecov Report

Merging #600 into master will increase coverage by <.01%.
The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #600      +/-   ##
==========================================
+ Coverage    68.5%   68.51%   +<.01%     
==========================================
  Files         363      363              
  Lines       39957    39959       +2     
==========================================
+ Hits        27374    27376       +2     
  Misses      12583    12583
Impacted Files Coverage Δ
test/kinetics/pdep.cpp 100% <100%> (ø) ⬆️

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
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@bryanwweber
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Hey @speth, just curious what you changed to fix the previous CI errors so I can learn from it 😄

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speth commented Feb 26, 2019

The first version of this didn't update all of the affected tests. I hadn't noticed the failure because I was only running a subset of the test suite locally.

@@ -65,6 +65,8 @@
'KJOULES/MOL': 'kJ/mol',
'KJOULES/MOLE': 'kJ/mol'}

Avogadro = 6.02214129e23 # in molec/mol
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Can you document where this number comes from? For instance, it is different from the CODATA value: https://physics.nist.gov/cgi-bin/cuu/Value?na

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It is the 2010 CODATA value, consistent with the value in ct_defs.h.

Since the leading Chebyshev coefficient has effective units like
log(cm^3/kmol), it needs to be converted directly to the default units of
the CTI file.

Analogous to the fix for PLOG reactions in Cantera#435.
@speth speth merged commit 5ad656e into Cantera:master Mar 1, 2019
@speth speth deleted the fix-chebyshev-units branch March 1, 2019 03:38
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