chemcoord.Cartesian.reindex_similar

Cartesian.reindex_similar(other, n_sphere=4)

Reindex other to be similarly indexed as self.

Returns a reindexed copy of other that minimizes the distance for each atom to itself in the same chemical environemt from self to other. Read more about the definition of the chemical environment in Cartesian.partition_chem_env()

Note

It is necessary to align self and other before applying this method. This can be done via align().

Note

It is probably necessary to improve the result using change_numbering().

Parameters:

• other (Cartesian)

• n_sphere (int) – Wrapper around the argument for partition_chem_env().

Returns:

Reindexed version of other

Return type:

Cartesian