Open mwinokan opened 3 weeks ago
@mwinokan when loading the compounds_manual.csv
, should the loader mark one of the identifiers as the preferred alias? If yes, then how?
@kaliif for each compound please take the first non-empty alias column to be the preferred one for now. We will need to devise a way to handle this in the f/e in another ticket
@matej-vavrek the api/compounds
endpoint now returns data in this format - attributes current_identifier
and all_identifiers
are now foreign keys to CompoundIdentifiers
object (api/compound-identifiers
)
{
"id": 1,
"inchi": "",
"smiles": "CNC(=O)c1cn(C)c2ccccc12",
"current_identifier": 4,
"all_identifiers": [
1,
4,
7
],
"project_id": [
1
],
"compound_code": "Z100643660",
"inspirations": [],
"description": null,
"comments": null
},
The value of current_identifier
can be changed but only to related objects (those listed under all_identifiers
).
As the merges to staging are currently on hold, the changes are in branch m2ms-1262-compounds-auto
, or if you prefer an image: kaliif/fragalysis-backend:preferred-alias
@phraenquex asks for there to be a modal "Target Settings" available from the hamburger menu in which there should be an option to choose the preferred compound alias for all compounds
@mwinokan, @kaliif do we have some LHS, RHS data compatible with this? It seems that my old data does not work anymore.
@matej-vavrek is blocked because his b/e is not able to process the large tarball (~3GB) in size
@mwinokan please share a smaller tarball with @matej-vavrek and @kaliif current only have CHIKV_combi_soaks_20241016
(or something similarly-named)
Follow on from #1262: