Source code for stk.molecular.topology_graphs.topology_graph.optimizers.optimizer

"""
Optimizer
=========

.. toctree::
    :maxdepth: 2

    Collapser <\
stk.molecular.topology_graphs.topology_graph.optimizers.collapser\
>

    Periodic Collapser <\
stk.molecular.topology_graphs.topology_graph.optimizers.\
periodic_collapser\
>

    MCHammer <\
stk.molecular.topology_graphs.topology_graph.optimizers.mchammer\
>
    Spinner <\
stk.molecular.topology_graphs.topology_graph.optimizers.spinner\
>

    NullOptimizer <\
stk.molecular.topology_graphs.topology_graph.optimizers.null\
>

"""


[docs]class Optimizer: """ An abstract base class for optimizers. An optimizer is used to change the structure of the molecule under construction to be more realistic. """
[docs] def optimize(self, state): """ Optimize the structure of a molecule under construction. Parameters ---------- state : :class:`.ConstructionState` The molecule being constructed. Returns ------- :class:`.ConstructionState` The optimized construction state. """ raise NotImplementedError()