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Currently key=value pairs only allow single values. We can extend the syntax to support lists as values as well. I propose we add support for the following:
12
C 0.00000000 1.14206764 0.90887116
C 0.00000000 1.19134753 -0.47779047
C 0.00000000 0.00000000 -1.18863009
C 0.00000000 -1.19134753 -0.47779047
C 0.00000000 -1.14206764 0.90887116
N 0.00000000 0.00000000 1.58935329
H 0.00000000 2.05493274 1.49740370
H 0.00000000 2.14479192 -0.99199860
H 0.00000000 0.00000000 -2.27369478
H 0.00000000 -2.14479192 -0.99199860
H 0.00000000 -2.05493274 1.49740370
Xx 0.12739120 -0.00077609 2.50049043
conn = 6, 12
active_atoms = 8
Currently conn will be read as '6, 12'. I think splitting on , will be the easiest way to create lists. We can then simply split the value by , first, and then parse each part again in a small list-comprehension. This should then yield conn: list[int] = [6, 12]
The text was updated successfully, but these errors were encountered:
Currently key=value pairs only allow single values. We can extend the syntax to support lists as values as well. I propose we add support for the following:
Currently
conn
will be read as'6, 12'
. I think splitting on,
will be the easiest way to create lists. We can then simply split the value by,
first, and then parse each part again in a small list-comprehension. This should then yieldconn: list[int] = [6, 12]
The text was updated successfully, but these errors were encountered: