oolonek / pyclassyfire

A python client for the ClassyFire API

pyclassyfire

This package provides a set of helper functions in python for annotating chemical structures with the chemical ontology developed by Djoumbou et. al using the ClassyFire API

New function dev

The objective is to fetch classyfire results for large table of smiles or inchi encoded structures.

Two problems :

The ClassyFire API now only returns paginated JSON files (10 compounds/page) see http://classyfire.wishartlab.com/access It is thus required to adapt the get_results function.

This first problem is apparently resolved by the proposed get_results_multipage function.

However, when calling the get_results_multipage function from the tabular_query function only the output from chunk 1 are returned. The tabular_query_multipage was written to call get_results_multipage. Did not sucess for now. Looks like a faulty incrementation of the i counter indicating the change of query_id.