search

longemen3000 / ChemicalIdentifiers.jl

chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search
MIT License
19 stars 1 forks source link

Can't find “water.” #12

Open abcdvvvv opened 1 day ago

abcdvvvv commented 1 day ago

Hello. I'm new to this pack. I tried to search for water as shown in the tutorial, but the return value is missing.

using ChemicalIdentifiers
res = search_chemical("water") # return missing
res = search_chemical((7732, 18, 5)) # return missing

May I ask what is going on?

longemen3000 commented 1 day ago

hello,

Thanks for letting me know of this issue. I can reproduce it in my computer. what probably is happening is that the database file (from calebbell/chemicals) was updated, so probably i need to update some code here too

longemen3000 commented 1 day ago

found the issue, water is now in a new database (https://github.com/CalebBell/chemicals/blob/master/chemicals/Identifiers/Inorganic%20db.tsv), it was moved last week. You add that database yourself, or wait for a new version of this package to be released (in a few hours)

abcdvvvv commented 19 hours ago

I see. Thank you for your reply! I will wait for the new version to be released.

longemen3000 commented 9 hours ago

The new version is already released, try it out, and if it solves your problem, feel free to close this issue.