cgexplore.scram.try_except_construction

cgexplore.scram.try_except_construction(iterator, topology_code, scale_multiplier=None, configuration=None, vertex_positions=None, vertex_alignment=None, reaction_factory=GenericReactionFactory(), optimizer=<stk._internal.optimizers.null.NullOptimizer object>)

Try construction with alignment, then without.

Parameters:

• iterator (TopologyIterator)

• topology_code (TopologyCode)

• scale_multiplier (float | None)

• configuration (Configuration | None)

• vertex_positions (dict[int, ndarray] | None)

• vertex_alignment (VertexAlignment | None)

• reaction_factory (ReactionFactory)

• optimizer (Optimizer)

Return type:

ConstructedMolecule