cgexplore.molecular.Ensemble
============================

.. currentmodule:: cgexplore.molecular

.. autoclass:: Ensemble
   :members:
   :inherited-members:
   :undoc-members:
   :show-inheritance:


   
   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~Ensemble.add_conformer
      ~Ensemble.get_base_molecule
      ~Ensemble.get_conformer
      ~Ensemble.get_lowest_e_conformer
      ~Ensemble.get_molecule_num_atoms
      ~Ensemble.get_num_conformers
      ~Ensemble.load_data
      ~Ensemble.load_trajectory
      ~Ensemble.write_conformers_to_file
      ~Ensemble.yield_conformers