geom.functions.rotate
=====================

.. py:module:: geom.functions.rotate


Functions
---------

.. autoapisummary::

   geom.functions.rotate.select_case
   geom.functions.rotate.rotate_angles
   geom.functions.rotate.rotate_1


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

.. py:function:: select_case(inp)

   Selects the appropriate rotation function based on user input.

   :param inp: An instance containing input parameters.
   :type inp: input_class

   :returns: Calls the corresponding rotation function.
   :rtype: None


.. py:function:: rotate_angles(inp)

   Rotates a molecule at a list of angles specified in the input.

   :param inp: An instance containing input parameters.
   :type inp: input_class

   :returns: Saves the rotated geometry for each angle.
   :rtype: None

   .. rubric:: Notes

   - Reads the molecule from the specified geometry file.
   - Adjusts angles based on the specified axis direction.
   - Iterates through the list of angles and applies rotation.
   - Saves each rotated geometry as an output file.


.. py:function:: rotate_1(inp)

   Rotates a molecule to a specified single angle.

   :param inp: An instance containing input parameters.
   :type inp: input_class

   :returns: Saves the rotated geometry.
   :rtype: None

   .. rubric:: Notes

   - Reads the molecule from the specified geometry file.
   - Adjusts the rotation angle based on the specified axis direction.
   - Applies the rotation transformation.
   - Saves the rotated geometry as an output file.