#!/usr/bin/env python3

"""

Enrichment class for enriching PubChem IDs with their STRINGS representation.

"""

import logging

import requests

import hydra

# Initialize logger

logging.basicConfig(level=logging.INFO)

logger = logging.getLogger(__name__)

def drugbank_id2pubchem_cid(drugbank_id):

    """

    Convert DrugBank ID to PubChem CID.

    Args:

        drugbank_id: The DrugBank ID of the drug.

    Returns:

        The PubChem CID of the drug.

    """

    logger.log(logging.INFO, "Load Hydra configuration for PubChem ID conversion.")

    with hydra.initialize(version_base=None, config_path="../configs"):

        cfg = hydra.compose(config_name='config',

                            overrides=['utils/pubchem_utils=default'])

        cfg = cfg.utils.pubchem_utils

    # Prepare the URL

    pubchem_url_for_drug = cfg.drugbank_id_to_pubchem_cid_url + drugbank_id + '/JSON'

    # Get the data

    response = requests.get(pubchem_url_for_drug, timeout=60)

    data = response.json()

    # Extract the PubChem CID

    cid = None

    for substance in data.get("PC_Substances", []):

        for compound in substance.get("compound", []):

            if "id" in compound and "type" in compound["id"] and compound["id"]["type"] == 1:

                cid = compound["id"].get("id", {}).get("cid")

                break

    return cid