delabeler

qcmanybody.utils.delabeler(item)[source]

Back-form from label into tuple.

Returns:

Tuple of opaque or pretty-print model chemistry (may be None for latter), fragments and bases (1-indexed by convention).

delabeler('["mp2", [1], [1, 2]]')
#> ('mp2', [1], [1, 2])
delabeler("§mp2_(1)@(1, 2)")
#> ('mp2', [1], [1, 2])

Return type:

mcfragbas

Parameters:

item (str)