make_similar¶
-
Cartesian.
make_similar
(Cartesian2, follow_bonds=4, prealign=True)[source]¶ Similarizes two Cartesians.
- Returns a reindexed copy of
Cartesian2
that minimizes the - distance for each atom in the same chemical environemt
from
self
toCartesian2
. - Read more about the definition of the chemical environment in
Cartesian.partition_chem_env()
Warning
- Please check the result with e.g.
Cartesian.move_to()
- It is probably necessary to use the function
Cartesian.change_numbering()
.
Parameters: - Cartesian2 (Cartesian) –
- max_follow_bonds (int) –
- prealign (bool) – The method
Cartesian.align()
is applied before reindexing.
Returns: - Aligned copy of
self
and aligned + reindexed version of
Cartesian2
Return type: tuple
- Returns a reindexed copy of