m2ms / fragalysis-frontend

The React, Redux frontend built by webpack
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allow user to select preferred alias #1540

Open mwinokan opened 3 weeks ago

mwinokan commented 3 weeks ago

Follow on from #1262:

kaliif commented 1 week ago

@mwinokan when loading the compounds_manual.csv, should the loader mark one of the identifiers as the preferred alias? If yes, then how?

mwinokan commented 1 week ago

@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

kaliif commented 1 week ago

@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

mwinokan commented 1 week ago

@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

matej-vavrek commented 1 week ago

@mwinokan, @kaliif do we have some LHS, RHS data compatible with this? It seems that my old data does not work anymore.

mwinokan commented 2 days ago

@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)