polymerist.mdtools.openmmtools.forces
=====================================

.. py:module:: polymerist.mdtools.openmmtools.forces

.. autoapi-nested-parse::

   For describing, labelling, and extracting information from OpenMM Forces



Attributes
----------

.. autoapisummary::

   polymerist.mdtools.openmmtools.forces.int_value
   polymerist.mdtools.openmmtools.forces.LongRangeNonbondedMethod


Functions
---------

.. autoapisummary::

   polymerist.mdtools.openmmtools.forces.describe_force
   polymerist.mdtools.openmmtools.forces.describe_forces
   polymerist.mdtools.openmmtools.forces.force_added_by_polymerist
   polymerist.mdtools.openmmtools.forces.force_groups_are_unique
   polymerist.mdtools.openmmtools.forces.uniquify_force_groups
   polymerist.mdtools.openmmtools.forces.impose_unique_force_groups
   polymerist.mdtools.openmmtools.forces.forces_by_force_group


Module Contents
---------------

.. py:data:: int_value

.. py:data:: LongRangeNonbondedMethod

.. py:function:: describe_force(force: openmm.Force) -> dict[str, Any]

   Provides a dictionary which summarizes the parameters of a Force


.. py:function:: describe_forces(ommsys: openmm.System, as_str: bool = False) -> Union[str, dict[str, dict[str, Any]]]

   Provides a dictionary (keyed by force names) which summarizes the parameters of each Force in an OpenMM system


.. py:function:: force_added_by_polymerist(force: openmm.Force) -> bool

   Determines if a Force was added by this library


.. py:function:: force_groups_are_unique(system: openmm.System) -> bool

   Check whether the Forces in an OpenMM system share their force group ID with any other forces


.. py:function:: uniquify_force_groups(system: openmm.System, except_for: Container[int] = None) -> None

.. py:function:: impose_unique_force_groups(ommsys: openmm.System, except_for: Container[int] = None) -> None

   Impose unique labels on Forces in an OpenMM System


.. py:function:: forces_by_force_group(system: openmm.System, denest: bool = False) -> dict[int, Union[openmm.Force, list[openmm.Force]]]

   Compile the Forces in an OpenMM system according to their assigned force group labels