gflownet.proxy.crystals.density
===============================

.. py:module:: gflownet.proxy.crystals.density


Attributes
----------

.. autoapisummary::

   gflownet.proxy.crystals.density.DENSITY_CONVERSION


Classes
-------

.. autoapisummary::

   gflownet.proxy.crystals.density.Density


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

.. py:data:: DENSITY_CONVERSION
   :value: 1.6605778811026237


.. py:class:: Density(**kwargs)

   Bases: :py:obj:`gflownet.proxy.base.Proxy`


   Proxy to compute the density of a crystal, in g/cm3.

   It requires the same inputs as the Dave proxy.


   .. py:method:: setup(env=None)


   .. py:method:: __call__(states)

      :param states: same as DAVE proxy, i.e.
      :type states: torch.Tensor
      :param \* composition: ``states[:, :-7]`` -> length 95 (dummy 0 then 94 elements)
      :param \* space group: ``states[:, -7] - 1``
      :param \* lattice parameters: ``states[:, -6:]``

      :returns: *nd.array* -- -1 * density in g/cm3. Shape: ``(batch,)``.