allomorph.init_struct.gen_tnp_al
================================

.. py:module:: allomorph.init_struct.gen_tnp_al

.. autoapi-nested-parse::

   Note:
   - Abbreviations:
       - RAL = randomly distributed alloy
       - RCS = randomly distributed core-shell-like alloy
       - (R)L10 = L1_0 intermetallic alloy (with/without random component)
       - (R)L12 = L1_2 intermetallic alloy (with/without random component)
   - To do:
       - FCC is currently being hard-coded for lattice constant retrieval, might need to be flexible
       - Perhaps could add a parameter to control core thickness



Functions
---------

.. autoapisummary::

   allomorph.init_struct.gen_tnp_al.rand_conv
   allomorph.init_struct.gen_tnp_al._prob_array
   allomorph.init_struct.gen_tnp_al.gen_tnp
   allomorph.init_struct.gen_tnp_al._map_tnp_distribution
   allomorph.init_struct.gen_tnp_al.write_tnp
   allomorph.init_struct.gen_tnp_al.main


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

.. py:function:: rand_conv(obj, element1, element2, element3, ele1Ratio, ele2Ratio, ele3Ratio, rseed, prob)

   Randomly convert elements of atoms until specified ratio is reached.


.. py:function:: _prob_array(prob, indices)

   Return a normalised probability array for *indices* or None.


.. py:function:: gen_tnp(obj, element1, element2, element3, ele1Ratio, ele2Ratio, ele3Ratio, distrib1, distrib2, rseed=0, shape=None, ele_dict=None)

   Generates a TNP alloy structure based on specified distribution types.


.. py:function:: _map_tnp_distribution(distrib1, distrib2)

   Map a (distrib1, distrib2) pair to the canonical TNP distribution name.


.. py:function:: write_tnp(element1, element2, element3, diameter, shape, ele1Ratio, ele2Ratio, ele3Ratio, distrib1, distrib2, rep1=0, replace=False, vis=False, ele_dict=None)

   Generates and writes TNP alloy structures.


.. py:function:: main(replace=False, vis=False, ele_dict=None)

   Main entry point for TNP generation.