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 to Cartesian2.
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