xnn.ffnn.models.oplslib.resolve_bond_type

xnn.ffnn.models.oplslib.resolve_bond_type(bond_types, a, b)

Find the bond-type key for the class pair (a, b).

Parameters:

• bond_types (dict) – The library’s bond-type table.

• a (str) – Atom classes of the two ends.

• b (str) – Atom classes of the two ends.

Returns:

The matching key (either atom order), or None.

Return type:

str or None