quemb.molbe.chemfrag.PurelyStructureFragmented.reorder_frags

PurelyStructureFragmented.reorder_frags(idx)

Reorder the fragments of self.

Can, for example, be used to order the fragments by size.

Parameters:

idx (Sequence[int] | ndarray[tuple[int], dtype[integer]]) – The new index, has to be a permutation of [0, ..., len(self)].

Return type:

Self