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BL-2: List review

Open LierB opened this issue 2 years ago • 5 comments

LierB avatar Aug 12 '22 20:08 LierB

@asukaorr Hey Asuka, changes are being implemented to your list by @LierB . She is validating and making sure we conform to a standard. Can you review her PR and also make sure we all agree with the changes implemented.

Sulstice avatar Aug 14 '22 20:08 Sulstice

As you go through the lists, I wouldn't prioritize canionicalism. I know this sounds stupid but I usually like SMILES I can read. If the canonical version is shit then I try to opt for something else that is more readable.

I really also don't like lowercase letters in SMILES. I don't think you do either.

Sulstice avatar Aug 17 '22 15:08 Sulstice

Yes, I agree with you. But usually I think the canonical SMILES read best. Especially as you point out with the lower case letters!! Here in this list, I didn't like it too much, that the ions were sometimes written in front but mostly at the end. I wanted to unify that as well.

LierB avatar Aug 17 '22 15:08 LierB

Hey @LierB I don't actually know what to do here. Like if we have comments for what it is great, but it can't live like that per se in the code.

We would need a 1 to 1 mapping still of relevant stuff so I think perhaps we should put them as a translated list to common names. So a translator from FDA to Common Names.

What do you think?

The design could look like


class FDAColourTranslator(object):

       def get_mapping(self):

I think moving forward this could actually scale efficiently and have Global-Chem act as a translator for jargon.

Sulstice avatar Aug 22 '22 00:08 Sulstice

Hey @Sulstice I was aware, that it can not stay like this. I just wanted to note it for now, that we can think how we want to include them for later. I like the idea with a translator! When I've seen it, I thought we can also do this with other lists, or even more generally. To translate all Common names to IUPAC or the other way around. There are endless possibilities actually....

LierB avatar Aug 22 '22 12:08 LierB

This PR is stale because it has been open 45 days with no activity. Remove stale label or comment or this will be closed in 10 days.

github-actions[bot] avatar Oct 07 '22 02:10 github-actions[bot]

This PR was closed because it has been stalled for 10 days with no activity.

github-actions[bot] avatar Oct 17 '22 02:10 github-actions[bot]