syndirella.slipper._placement_data

syndirella.slipper._placement_data.py

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

Functions

`get_placement_data`(→ pandas.DataFrame)
`find_products_csv`(→ str)	Given a directory, find the products and non-placements csv file.
`make_fragmenstein_placements_csv`(→ str)	This function makes a fragmenstein_placements.csv by looking through outputs of Fragmenstein.
`get_delta_delta_G`(→ float)
`get_bound_unbound`(→ tuple)	Get the bound and unbound energy values from the JSON file. Accounts for different formats
`make_success_csv_row`(→ list)	Make a row for the success.csv file.

syndirella.slipper._placement_data.get_placement_data(products: pandas.DataFrame, fragmenstein_output: str, library_output_dir: str) → pandas.DataFrame[source]

syndirella.slipper._placement_data.find_products_csv(library_output_dir: str) → str[source]: Given a directory, find the products and non-placements csv file.

syndirella.slipper._placement_data.make_fragmenstein_placements_csv(output_path: str, library_output_dir: str) → str[source]

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

Parameters:

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

syndirella.slipper._placement_data.get_delta_delta_G(data: dict) → float[source]

syndirella.slipper._placement_data.get_bound_unbound(data: dict) → tuple[source]: Get the bound and unbound energy values from the JSON file. Accounts for different formats

syndirella.slipper._placement_data.make_success_csv_row(subdir: str, data: dict) → list[source]: Make a row for the success.csv file.