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.. currentmodule:: openpathsampling.high_level.interface_set

Interface Sets

In transition interface sampling and related methods, we need to define a set of interfaces for each sampling transition. In OPS, this is essentially just a list of volumes. However, it can be useful for that list to carry some addition information (such as the associated collective variable), so the :class:`.InterfaceSet` is a way to package that information.

For TIS, you will usually use the :class:`.VolumeInterfaceSet` or :class:`.PeriodicVolumeInterfaceSet`.

Abstract classes

.. autosummary::
   :toctree: api/generated

   InterfaceSet
   GenericVolumeInterfaceSet

Interface Sets for TIS

.. autosummary::
   :toctree: api/generated

   VolumeInterfaceSet
   PeriodicVolumeInterfaceSet