QuAcK/tests/create_database.py

import sqlite3

from molecule import save_molecules_to_json, load_molecules_from_json
from molecule import create_database, add_molecule_to_db

from feather_bench import FeatherBench



# Save molecules to JSON
#save_molecules_to_json(FeatherBench, 'FeatherBench.json')

# Load molecules from JSON
#loaded_molecules = load_molecules_from_json('FeatherBench.json')
#print(loaded_molecules)

# Create a database and add molecules
db_name = 'FeatherBench.db'
create_database(db_name)
for molecule in FeatherBench:
    add_molecule_to_db(db_name, molecule)