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ReactionMechanismGenerator / RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).
http://reactionmechanismgenerator.github.io/RMG-Py/
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NASA polynomial in Chemkin format parser? #73

Closed nickvandewiele closed 10 years ago

nickvandewiele commented 12 years ago

Hi, rather a feature request than a bug:

is there or where should i look for a module that parses a chemkin formatted thermochemistry entry and translates that into thermo.MultiNasa object? The format i mean, looks like this:

He REF ELEMENT          He  1               G   200.000  6000.000 1000.        1
 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
-7.45375000E+02 9.28723974E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00    3
 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28723974E-01 0.00000000E+00    4

My idea would then be to retrieve thermodynamic properties with the existing thermo.convertThermoModel(...) method.

jwallen commented 12 years ago

rmgpy.chemkin.readThermoEntry() should be what you are looking for.