.. _api:

API Documentation
=================


pyddt.cif module
----------------


.. automodule:: pyddt.cif
    :members: to_in, to_struc, visualizer_cif
    

----


pyddt.scatter module
--------------------

.. automodule:: pyddt.scatter
    :members: asfQ, aresE
    

----



pyddt.comparison module
-----------------------

.. automodule:: pyddt.comparison
    :members: phase, triplet
    

----



pyddt.Crystal class
-----------------------

This class is used for performing crystallographic calculations.

.. autoclass:: pyddt.Crystal
    :members: bragg, hkl2Q, Fhkl, hkl_generator, diffraction, triplet_relation, klines
    

----


    
pyddt.crystal_funcs module
^^^^^^^^^^^^^^^^^^^^^^^^^^

.. automodule:: pyddt.crystal_funcs
    :members: lattice, save_diffraction, phase_triplet
    

----

    

pyddt.ExpData class
-----------------------

This class is used for analyzing Renninger scans.

.. autoclass:: pyddt.ExpData
    :members: plot, BC_plot, peak_picker, peak_finder, review, region_of_fit, region_plot, indexer, indexation_plot, fitter, asymmetry_assigner, asymmetry_plot, save, _peak_definer, _index_find 
    

----

    

pyddt.expdata_funcs module
^^^^^^^^^^^^^^^^^^^^^^^^^^

.. automodule:: pyddt.expdata_funcs
    :members: dataframe_BClines, fwhm, peak_fit, bootstrap_resampling
    

----

    
    
pyddt.Structure class
-----------------------

This class is used for structural modelling from *.in* files.

.. autoclass:: pyddt.Structure
    :members: visualizer_in, replace_ion, replace_occupancy, replace_bfactor, append_atom, delete_atom, save_infile
    

----

    

pyddt.AMD class
---------------

This class is used for performing compatibility analysis.

.. autoclass:: pyddt.AMD
    :members: experimental_asymmetries, diagram_positions, theoretical_asymmetries, matching_matrix, twovariable_plot, onevariable_plot
    

----


pyddt.funcs module
-------------------

.. automodule:: pyddt.funcs
    :members: delete_multiple, search_reflection, coupling_reflection, comparison_plot, str_append