Update read_reaction_set_data API #261
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GRINS is good with this PR. |
roystgnr
reviewed
Jul 10, 2018
| @@ -80,6 +80,7 @@ O 16.00000 1.5420000000e7 1.5 0 | |||
| O+ 15.99945 9.7560000000e7 1.5 1 | |||
| O2 32.00000 0.000000000000 2.5 0 | |||
| O2+ 31.99945 3.6370000000e7 2.5 1 | |||
| O3 48.00000 3.0104166666e6 3.0 0 | |||
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Is this also from http://cccbdb.nist.gov/hf0K.asp ?
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Correct. I should've included in the commit log that the comment exactly as stated is still correct. I'll force push an amendment to the commit log.
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👍 now if you're still consistent with that comment; 👍 after you cite a source otherwise. |
This one takes a pointer to a ParserBase object and then does the read. Slight refactoring of existing function to reuse existing capability. Really, this should just all be in the ParserBase and XMLParser classes, but until we address libantioch#260, we're stuck with this simple change/(gross) API extension.
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lol, just force pushed a small API update to my new API. I'd copy-pasted, but the filename argument in the new function was unnecessary/superfluous. Not sure why compiler didn't throw unused-variable warning. |
We'll use this in a forthcoming unit test. The comment in the file regarding the source of the formation enthalpy still exactly applies to this file after this commit. Namely, the O3 formation enthalpy was sourced from http://cccbdb.nist.gov/hf0K.asp
Also, this explicitly tests parsing an XML file with multiple species and reaction sections within.
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OK, force pushed again with amended commit log on the Antioch default data. |
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In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
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In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
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Jul 11, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
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Jul 19, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
added a commit
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Jul 19, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
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Jul 19, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
added a commit
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Jul 25, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
pbauman
added a commit
to pbauman/grins
that referenced
this pull request
Jul 25, 2018
In reality, both formats are using XML to parse the kinetics, but the ASCII format requires an additional flag for the filename for the kinetics data whereas XML it will all be stashed in one place. This commit is also leveraging a new Antioch API that was part of libantioch/antioch#261. Thus, the minimum Antioch hash that will be required after this commit is libantioch/antioch@7cebf19. We'll work on ChemKinParser support later.
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This adds a new overload of
read_reaction_set_datathat takes an existing pointer to aParserBaseobject. Really, we just want to do #260, but I need this right away so that I can leverage the mixture specification in the XML file (which requires the constructor from #254 and is not exposed to the otherread_reaction_set_datamethods). So with this PR, I can construct the XMLParser object myself and just pass to this method. Added unit test of the function that also tests xml file with multiple species and reaction sections in it.I'd like to merge quickly after a little GRINS testing.