scm.reactmap.heuristicsΒΆ

heuristics is a submodule for using heuristic techniques to generate upper and lower bounds for reaction mapping problems. The HeuristicManager class interfaces with all heuristic techniques and manages the best values for upper and lower bounds to the problem. The HeuristicManager class should be sufficient for most users to try different heuristics.

Classes

HeuristicsManager(settings)

The HeuristicsManager class is responsible for executing the heuristics (upper and lower bounds) on a reaction problem.

Submodules

lower_bound

This submodule contains functions for finding lower bounds.

upper_bound

This submodule contains functions for finding upper bounds.