chemcoord.Cartesian.reindex_similar
- Cartesian.reindex_similar(other, n_sphere=4)
Reindex
other
to be similarly indexed asself
.Returns a reindexed copy of
other
that minimizes the distance for each atom to itself in the same chemical environemt fromself
toother
. Read more about the definition of the chemical environment inCartesian.partition_chem_env()
Note
It is necessary to align
self
and other before applying this method. This can be done viaalign()
.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: