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馃摎 Include other broadening partners than air for ExoMol #602

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minouHub opened this issue Aug 8, 2023 · 0 comments
Open
3 tasks

馃摎 Include other broadening partners than air for ExoMol #602

minouHub opened this issue Aug 8, 2023 · 0 comments
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db:exomol related to the ExoMol database physics involves the physics todo in the short-term roadmap

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@minouHub
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minouHub commented Aug 8, 2023

馃挱 Description

This to-do follows the issue #585 partially solved with #586. The feature request is isolated here.

I implemented an error raised when a user tries to compute the spectrum of an ExoMol molecule with a diluent other than "air". See example below:

from radis import calc_spectrum
s = calc_spectrum(1900, 2100,         # cm-1
                  molecule='CO2',
                  isotope='1',
                  pressure=.001325,   # bar
                  Tgas=4000,
                  mole_fraction=0.1,
                  databank='exomol',  
                  verbose=1,
                  wstep='auto',
                  diluent = "He"    
                  )
NotImplementedError: Only air broadening is implemented in RADIS with ExoMol. Please reach out on https://github.com/radis/radis/issues

The issue can be solved with a bit of patience

  • the list of broadening partners should be added as an attribute in the spectrum factory
  • update set_broadening_coef here so that list of other broadening partners are loaded in df
  • remove the bkgdatm parameter that is not used anymore and replace it with diluent
@minouHub minouHub added the todo in the short-term roadmap label Aug 8, 2023
@minouHub minouHub mentioned this issue Aug 8, 2023
5 tasks
@erwanp erwanp added physics involves the physics db:exomol related to the ExoMol database labels Aug 11, 2023
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Labels
db:exomol related to the ExoMol database physics involves the physics todo in the short-term roadmap
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