friendzone.utils.unwrap_inputs
==============================

.. py:module:: friendzone.utils.unwrap_inputs


Functions
---------

.. autoapisummary::

   friendzone.utils.unwrap_inputs._compare_mol_and_point
   friendzone.utils.unwrap_inputs.unwrap_inputs


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

.. py:function:: _compare_mol_and_point(mol, points)

   This function is essentially a work around for the comparisons not being
   exposed to Python.


.. py:function:: unwrap_inputs(pt, inputs)

   Code factorization for unwrapping a module's inputs.

   Many of our friends expose interfaces which are analogous to high-level
   property types like TotalEnergy, AOEnergy, and EnergyNuclearGradient.
   Furthermore, most of our friends expose all of these calculations through
   a single interface. The result is that many of our modules start by having
   dispatch logic akin to "if we're doing an energy calculation, unwrap this
   way." Or "if we're doing a gradient, unwrap this other way." This function
   factors that logic out into a single function.