geoschem / geos-chem

GEOS-Chem "Science Codebase" repository. Contains GEOS-Chem science routines, run directory generation scripts, and interface code. This repository is used as a submodule within the GCClassic and GCHP wrappers, as well as in other modeling contexts (external ESMs).
http://geos-chem.org
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[FEATURE REQUEST] Add species database info retrieval separate from State_Chm object #476

Open lizziel opened 3 years ago

lizziel commented 3 years ago

This feature request is for utility functions to extract data from the species database without dependency on the state_chm object.

It would be a nice feature to be able to use species database information within GEOS/GCHP internal state attributes, e.g. species long name, so that it could be written to the restart file. This was previously achieved within GEOS by using the SPC_INFO subroutine. However, this subroutine was recently retired after moving the species database to yaml format. Now species database read and info storage is tied to the State_Chm object, and this problematic for GEOS/GCHP since the information is needed prior to GEOS-Chem state initialization.

msulprizio commented 3 years ago

I have removed the 13.1.0 milestone for now. This item can go in when it is ready, but may not necessarily be a top priority.

lizziel commented 3 years ago

@christophkeller , could you comment on the necessity for this update in GEOS? The issue is long name from species database is not accessible during SetServices following recent updates to how the GEOS-Chem species database is used. I had to comment out some of your code that retrieved the long names when adding species to the internal state.

yantosca commented 1 month ago

@lizziel: Is this still a needed update?

lizziel commented 1 month ago

This is still a very nice to have feature. When GEOS-Chem is used in other models sometimes we may need info from the species database prior to the State_Chm object being created.

yantosca commented 1 month ago

Thanks @lizziel. Maybe we can use the qfyaml parser to get at least the long name and MW.