Update diamond.cti and diamond_cvd.py #630
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@bryanwweber I would like your review on this. |
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If we do this, you can delete |
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@speth I believe this PR is complete now |
Replace data/inputs/diamond.cti with test_problems version that has more information. This results in a change in the default pressure and mole fractions of the gas phase, which in turn changes the result of one of the regression tests. This is fixed by setting the composition and pressure of the gas phase in the test to their original values. The default state from the CTI file matches from the paper. In addition, there was a difference in the reversibility of reaction u between the files. Since the thermo for C(d) specifies that the reaction is irreversible, this is the sense of the reaction that is chosen. Include plotting in the diamond_cvd.py and use open properly.
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Codecov Report
@@ Coverage Diff @@
## master #630 +/- ##
==========================================
- Coverage 70.66% 70.66% -0.01%
==========================================
Files 372 372
Lines 43507 43507
==========================================
- Hits 30745 30744 -1
- Misses 12762 12763 +1
Continue to review full report at Codecov.
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speth
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Aug 5, 2019
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Fixes #313
Changes proposed in this pull request: