AtomPairEntanglements¶

class pylimer_tools_cpp.AtomPairEntanglements(self: pylimer_tools_cpp.AtomPairEntanglements)¶

Bases: pybind11_object

A struct to store pairs of atoms that are close together and could be entanglements.

Get an instance of this struct

Attributes Summary

`pair_of_atom`	An index in the pairs_of_atoms if the atom is part of a pair, -1 else.
`pairs_of_atoms`	A list of pairs of atom ids that are close together and could be entanglements

Attributes Documentation

pair_of_atom¶: An index in the pairs_of_atoms if the atom is part of a pair, -1 else.

pairs_of_atoms¶: A list of pairs of atom ids that are close together and could be entanglements