use ma_qa_metric.type instead of .name

[arose]

addressing #597

[arose]

@gtauriello what do you think, does this fix it for you?

[arose]

ping @gtauriello

[gtauriello]

@arose Thanks for looking into this. And sorry for the delayed answer. I was travelling last week and could only look at it now.

I cannot fully judge if the code works as intended (I don't have a setup to test it), but from what I see in the proposed code changes, I would assume that it does the job for the currently existing ModelCIF files.

If it's ok, I comment here on how to make scores available for use (as commented on in #597).

I see 2 separate issues on that:

1. What colour scheme to use for display. In SWISS-MODEL we chose to offer both colour schemes to any type of model ("Confidence gradient" for our classic "QMEAN" scheme and "Confidence class" for the one used by AlphaFold DB; see here for doc and here for an example with both SM and AFDB model). The schemes are scaled to [0,1] or [0,100] depending on the type of score. If you want to use a heuristic to pick between "gradient" and "class" for the user (as done currently), that's of course also fine.
2. What label to set for the confidence score. Personally, I wouldn't call them "pLDDT Score" and "QMEAN Score" but rather label them as "X (Y)" with "X" being "Pred. lDDT" or "Pred. lDDT-CA" (depending on _ma_qa_metric.type) and "Y" being whatever is in _ma_qa_metric.name. This would be more robust for future scores. To clarify the used colour scheme one can additionally add "gradient" or "class" somewhere in the label.

Of course the suggestions above come at some amount of extra complexity for the code as one needs to keep track if we do "gradient" or "class" display, whether range is in [0,1] or [0,100] and what label to have for the score (as opposed to all of those being hard coded as it is now).

As a side note: it seems that ESMFold has been using AF-like pLDDT values but scaled to [0,1]. So if one ever sees ModelCIF files from them, those should have "pLDDT in [0,1]" as type.