syndirella.slipper._placement_data
==================================

.. py:module:: syndirella.slipper._placement_data

.. autoapi-nested-parse::

   syndirella.slipper._placement_data.py

   This module contains functions to get the placement data from a Fragmenstein run.



Functions
---------

.. autoapisummary::

   syndirella.slipper._placement_data.get_placement_data
   syndirella.slipper._placement_data.find_products_csv
   syndirella.slipper._placement_data.make_fragmenstein_placements_csv
   syndirella.slipper._placement_data.get_delta_delta_G
   syndirella.slipper._placement_data.get_bound_unbound
   syndirella.slipper._placement_data.make_success_csv_row


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

.. py:function:: get_placement_data(products: pandas.DataFrame, fragmenstein_output: str, library_output_dir: str) -> pandas.DataFrame

.. py:function:: find_products_csv(library_output_dir: str) -> str

   Given a directory, find the products and non-placements csv file.


.. py:function:: make_fragmenstein_placements_csv(output_path: str, library_output_dir: str) -> str

   This function makes a fragmenstein_placements.csv by looking through outputs of Fragmenstein.

   :param output_path: str: The path to the output directory of Fragmenstein.
   :param library_output_dir: str: The path to the directory where the final products csv is located.


.. py:function:: get_delta_delta_G(data: dict) -> float

.. py:function:: get_bound_unbound(data: dict) -> tuple

   Get the bound and unbound energy values from the JSON file. Accounts for different formats


.. py:function:: make_success_csv_row(subdir: str, data: dict) -> list

   Make a row for the success.csv file.