syndirella.DatabaseSearch

DatabaseSearch.py

This module contains the functionality for a database search. Can do it via Postera or another database (smallworld, etc.).

Classes

DatabaseSearch

This class contains information about the database search. It will perform the database search using the

Module Contents

class syndirella.DatabaseSearch.DatabaseSearch

Bases: abc.ABC

This class contains information about the database search. It will perform the database search using the database_search_function. It will also store the results of the database search as a .csv file.

url = None

api_key = None

abstract perform_database_search(reactant: rdkit.Chem.Mol, reaction_name: str, search_type: str)

This function is used to perform the database search using the database_search_function.

abstract get_resp_json(url: str, data: Dict = None) → Dict | None

Directly get the response json from a request.

abstract save_database_search()

This function is used to save the results of the database search as a .csv file.

abstract load_database_search()

This function is used to load the results of the database search from a .csv file.