OpenMMDynamics
==============

.. currentmodule:: narupatools.openmm.dynamics

.. autoclass:: OpenMMDynamics

   .. rubric:: Inheritance

   .. inheritance-diagram:: OpenMMDynamics
      :parts: 1

   

   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~OpenMMDynamics.__init__
      ~OpenMMDynamics.check_task
      ~OpenMMDynamics.end_broadcast
      ~OpenMMDynamics.from_simulation
      ~OpenMMDynamics.from_xml_file
      ~OpenMMDynamics.from_xml_string
      ~OpenMMDynamics.get_frame
      ~OpenMMDynamics.health_check
      ~OpenMMDynamics.pause
      ~OpenMMDynamics.play
      ~OpenMMDynamics.reset
      ~OpenMMDynamics.restart
      ~OpenMMDynamics.run
      ~OpenMMDynamics.start
      ~OpenMMDynamics.start_broadcast
      ~OpenMMDynamics.step
      ~OpenMMDynamics.stop

   
   .. automethod:: OpenMMDynamics.__init__
   .. automethod:: OpenMMDynamics.check_task
   .. automethod:: OpenMMDynamics.end_broadcast
   .. automethod:: OpenMMDynamics.from_simulation
   .. automethod:: OpenMMDynamics.from_xml_file
   .. automethod:: OpenMMDynamics.from_xml_string
   .. automethod:: OpenMMDynamics.get_frame
   .. automethod:: OpenMMDynamics.health_check
   .. automethod:: OpenMMDynamics.pause
   .. automethod:: OpenMMDynamics.play
   .. automethod:: OpenMMDynamics.reset
   .. automethod:: OpenMMDynamics.restart
   .. automethod:: OpenMMDynamics.run
   .. automethod:: OpenMMDynamics.start
   .. automethod:: OpenMMDynamics.start_broadcast
   .. automethod:: OpenMMDynamics.step
   .. automethod:: OpenMMDynamics.stop

   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~OpenMMDynamics.dynamic_fields
      ~OpenMMDynamics.elapsed_steps
      ~OpenMMDynamics.elapsed_time
      ~OpenMMDynamics.forces
      ~OpenMMDynamics.imd
      ~OpenMMDynamics.is_paused
      ~OpenMMDynamics.is_playing
      ~OpenMMDynamics.is_running
      ~OpenMMDynamics.kinetic_energy
      ~OpenMMDynamics.masses
      ~OpenMMDynamics.on_field_changed
      ~OpenMMDynamics.on_post_step
      ~OpenMMDynamics.on_pre_step
      ~OpenMMDynamics.on_reset
      ~OpenMMDynamics.playback_interval
      ~OpenMMDynamics.playback_rate
      ~OpenMMDynamics.positions
      ~OpenMMDynamics.potential_energy
      ~OpenMMDynamics.temperature
      ~OpenMMDynamics.timestep
      ~OpenMMDynamics.total_steps
      ~OpenMMDynamics.total_time
      ~OpenMMDynamics.velocities

   
   .. autoattribute:: OpenMMDynamics.dynamic_fields
   .. autoattribute:: OpenMMDynamics.elapsed_steps
   .. autoattribute:: OpenMMDynamics.elapsed_time
   .. autoattribute:: OpenMMDynamics.forces
   .. autoattribute:: OpenMMDynamics.imd
   .. autoattribute:: OpenMMDynamics.is_paused
   .. autoattribute:: OpenMMDynamics.is_playing
   .. autoattribute:: OpenMMDynamics.is_running
   .. autoattribute:: OpenMMDynamics.kinetic_energy
   .. autoattribute:: OpenMMDynamics.masses
   .. autoattribute:: OpenMMDynamics.on_field_changed
   .. autoattribute:: OpenMMDynamics.on_post_step
   .. autoattribute:: OpenMMDynamics.on_pre_step
   .. autoattribute:: OpenMMDynamics.on_reset
   .. autoattribute:: OpenMMDynamics.playback_interval
   .. autoattribute:: OpenMMDynamics.playback_rate
   .. autoattribute:: OpenMMDynamics.positions
   .. autoattribute:: OpenMMDynamics.potential_energy
   .. autoattribute:: OpenMMDynamics.temperature
   .. autoattribute:: OpenMMDynamics.timestep
   .. autoattribute:: OpenMMDynamics.total_steps
   .. autoattribute:: OpenMMDynamics.total_time
   .. autoattribute:: OpenMMDynamics.velocities