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Support for different molecules from HITRAN #628

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EkulRF opened this issue Oct 24, 2023 · 4 comments 路 May be fixed by #630
Open

Support for different molecules from HITRAN #628

EkulRF opened this issue Oct 24, 2023 · 4 comments 路 May be fixed by #630
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enhancement New feature or request

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@EkulRF
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EkulRF commented Oct 24, 2023

馃敄 Feature description

Support for additional molecules found in the Hitran database (particularly acetone, please).

(There may be a good reason they're not there already, please ignore if that's the case!!!)

馃憠 Why you want this feature!!

I've found Radis very helpful in my work but an expanded list of supported common organic compounds would really help me.

@EkulRF EkulRF added the enhancement New feature or request label Oct 24, 2023
@erwanp
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erwanp commented Oct 29, 2023

Hello @EkulRF , thanks for reaching out.

RADIS is up-to-date with HITRAN; i.e. all molecules there should be accessible.
Are you sure Acetone is supported by HITRAN ? I can't find it in the Line-by-line list https://hitran.org/lbl/

Maybe you are refering to Absorption cross-sections (https://hitran.org/xsc/)

In this case unfortunately we currently do not fetch absorption cross-sections... but it's a rather easy implementation.

@EkulRF
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EkulRF commented Nov 1, 2023

Hi @erwanp, thanks so much for this!

Ah yes, this explains why certain chemicals aren't here, thanks for clearing that up!

I am primarily interested in absorption cross-sections, so if Radis could do this then that would be great! If this is something I can help with wrt implementation, let me know. Otherwise, if there's a work around you could suggest, I'd be super grateful.

@erwanp erwanp linked a pull request Nov 1, 2023 that will close this issue
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@erwanp
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erwanp commented Nov 1, 2023

Done in #630 ; you might want to have a look at the changes. Feedback welcome. https://github.com/radis/radis/pull/630/files

Note that this won't auto-download data at this time (you still have to login on the HITRAN website ) , but you can parse and generate Spectrum objects (and therfeore merge; rescale; etc.) directly from Hitran cross sections

@EkulRF EkulRF closed this as completed Nov 1, 2023
@erwanp
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erwanp commented Nov 1, 2023

(hello @EkulRF , re-opening until the PR is actually merged in the develop branch. it will be closed automatically)

@erwanp erwanp reopened this Nov 1, 2023
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