m2ms / fragalysis-frontend

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Deconfuse hit navigator's rules for NGL vs tags display #1009

Open boriskovar-m2ms opened 1 year ago

boriskovar-m2ms commented 1 year ago

see this snapshot: https://fragalysis-tibor-default.xchem-dev.diamond.ac.uk/viewer/react/projects/1075/1413

boriskovar-m2ms commented 1 year ago

@phraenquex the [L] button is actually selected for all proteins visible in ngl. image Went through all the rules for sorting and displaying that list (there are quite few of them) and it seems to be correct because proteins should be moved to the top only in situation when protein has something selected (or tags are edited) but tags which are associated with the protein are no longer selected in the Hit list filter. Rest is alphabetically sorted list of proteins which are tagged with tags selected in the Hit list filter.

phraenquex commented 1 year ago

@boriskovar-m2ms

In this snapshot, I can't work out how to get all the NGL ligands listed in the Hit Navigator. There are loads in NGL ligands, and only 4 in hit navigator.
https://fragalysis-tibor-default.xchem-dev.diamond.ac.uk/viewer/react/projects/1075/1413

Also, if you unselect [L] for any ligand, the protein disappears from Hit Navigator -

phraenquex commented 1 year ago

@boriskovar-m2ms I think this needs to go back to "In progress".

boriskovar-m2ms commented 1 year ago

@phraenquex

There are several rules at play (yes it's not getting, it already is pretty convoluted):

  1. When there was no tags the rule was: if there are no tags show all molecules
  2. Now there is one tag created so the rules is: show all molecules tagged by selected tags (no tag is selected in the snapshot but also the tag has no molecules associated with it) - so the result is that no molecules should be visible in the hit navigator
  3. But now another rule is in play: If there are visible molecules in the ngl navigator and they should not be in the Hit navigator because of other rules then they are added to hit navigator and they're sitting at the top of the list followed by the molecules that should be visible according to other rules (in this particular case none)

Maybe I'm doing something wrong but all I see in that snapshot (https://fragalysis-tibor-default.xchem-dev.diamond.ac.uk/viewer/react/projects/1075/1413) is 4 ligands and when I turn them off in hit navigator they're all gone from ngl view.

I don't see any bugs in here per se but yes I agree that lack of clarity why something is in hit navigator is problematic. User expects only molecules which are tagged with tags selected in hit list filter to be visible so maybe for molecules which are violating this rule (i.e. are visible in hit navigator for other reason) we can slap that i in the circle icon on them and tooltip will tell user why the molecule is in the hit navigator.

phraenquex commented 1 year ago

Title updated to reflect the problem; and moved back into the ALC2 lane, for later discussion.

phraenquex commented 11 months ago

Irrelevant for V2.