stko.AlignmentPotential

class stko.AlignmentPotential(matching_pairs, width)[source]

Bases: Potential

Methods

compute_potential

Calculate potential energy.

Parameters:

matching_pairs (tuple[tuple[str, str], ...])
width (float)

compute_potential(supramolecule)[source]

Calculate potential energy.

Parameters:

supramolecular – Supramolecule to evaluate.
supramolecule (SupraMolecule)

Return type: