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.. currentmodule:: openpathsampling.ensemble

Ensembles

The concept of the path ensemble, the (appropriately weighted) set of trajectories satisfying particular conditions, is at the heart of path sampling techniques.

Path ensembles are created as :class:`openpathsampling.Ensemble` objects. Making one is usually as simple as

>>> import openpathsampling as paths
>>> ens = paths.Ensemble()

where you choose the right kind of ensemble and give it the right initialization parameters. What's more, ensembles can be combined using the logical infix operators & (and) and | (or).

Abstract class

.. autosummary::
   :toctree: api/generated/

   Ensemble

Basic Ensembles

.. autosummary::
   :toctree: api/generated/

   EmptyEnsemble
   FullEnsemble

Volume Ensembles

.. autosummary::
   :toctree: api/generated/

   VolumeEnsemble
   AllInXEnsemble
   AllOutXEnsemble
   PartInXEnsemble
   PartOutXEnsemble

Set-based Ensemble combinations

.. autosummary::
   :toctree: api/generated/

   EnsembleCombination
   IntersectionEnsemble
   UnionEnsemble

Length specific Ensembles

.. autosummary::
   :toctree: api/generated/

   LengthEnsemble
   SingleFrameEnsemble
   OptionalEnsemble

Trajectory Altering Ensembles

.. autosummary::
   :toctree: api/generated/

   ReversedTrajectoryEnsemble
   SuffixTrajectoryEnsemble
   PrefixTrajectoryEnsemble
   WrappedEnsemble

Sequential Ensembles

.. autosummary::
   :toctree: api/generated/

   SequentialEnsemble

Specialized Ensembles

.. autosummary::
   :toctree: api/generated/

   TISEnsemble
   MinusInterfaceEnsemble

Ensemble Functions

.. autosummary::
   :toctree: api/generated/

   join_ensembles