chemcoord.Zmat.change_numbering

Zmat.change_numbering(new_index=None)

Change numbering to a new index.

Changes the numbering of index and all dependent numbering

(bond_with…) to a new_index.

The user has to make sure that the new_index consists of distinct

elements.

Parameters:

new_index (list) – If None the new_index is taken from 1 to the number of atoms.

Returns:

Reindexed version of the zmatrix.

Return type:

Zmat