autofragment.algorithms.optimizer

Fragmentation optimization algorithms.

Functions

import_nx()

Import networkx lazily and return the module.

Classes

ConvergenceCriteria([max_iterations, ...])	Configurable convergence conditions.
FragmentationOptimizer()	Base class for fragmentation optimizers.
FragmentationResult(fragments, broken_bonds, ...)	Result of fragmentation optimization.
GreedyOptimizer([target_fragments, ...])	Greedy fragmentation with local search refinement.
SimulatedAnnealingOptimizer([initial_temp, ...])	Simulated annealing for global optimization.