Closed tduigou closed 1 month ago
I just updated the grammar to include most of the remaining atom types, hopefully I got the entire periodic table but feel free to reopen this issue if we are still missing primitives.
It's a bit unwieldy, but one can always add more tokens to the grammar in https://github.com/coleygroup/rdcanon/blob/main/rdcanon/token_parser.py, if you don't want to wait for me to get around to it.
Hello,
To my understanding, some atoms are missing — such as "At" and "Ce" — within the list of PRIMITIVE or PRIMITIVE_SINGLE defined for the Lark parser (in
rdcanon/token_parser.py
). It looks to me a solution would be to define all existing atoms within the list of Lark primitive.Here are instructions to reproduce the bug:
Here is the (long) traceback:
Thanks for you work!