=======================
View a frame in solvis
=======================

Problem
=======

You have a ``Frame`` and want a solvis ``System`` for a PyVista
view.

Install the extra
=================

.. code-block:: bash

   pip install 'pydseams[solvis]'

The extra pulls ASE as well. Without it, ``to_solvis`` raises
``ImportError`` and names that command.

Wrap the frame
==============

.. code-block:: python

   import pydseams as ds

   frame = ds.read("water.lammpstrj")
   system = frame.to_solvis()
   # or: system = ds.to_solvis(frame)

solvis wraps the same ``Atoms`` ``to_ase`` would return. Pass
``expand_box=False`` to turn off the solvis box expansion (default
``True``).

Classify first if you want ice labels on the exported ``Atoms``:

.. code-block:: python

   frame.chill_plus()
   frame.cages()
   system = frame.to_solvis()

``to_ase`` writes ``arrays["ice_type"]`` after CHILL and
``arrays["hc"]`` / ``arrays["ddc"]`` after ``cages()``. solvis sees
those arrays on the wrapped ``Atoms``.

This is the visualization path. Interactive plots and screenshots
follow the `solvis examples <https://github.com/amritagos/solvis>`_
(PyVista; press ``q`` to close the window). OVITO is not required.

See also
========

- :doc:`ase` : ``from_ase`` / ``to_ase``
- :doc:`../explanation/yoda-surface` : why the viewer stays in Python