mirror of
https://github.com/pfloos/quack
synced 2024-09-27 20:11:05 +02:00
26 lines
557 B
Python
26 lines
557 B
Python
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import sqlite3
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from molecule import save_molecules_to_json, load_molecules_from_json
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from molecule import create_database, add_molecule_to_db
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from feather_bench import FeatherBench
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# Save molecules to JSON
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#save_molecules_to_json(FeatherBench, 'FeatherBench.json')
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# Load molecules from JSON
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#loaded_molecules = load_molecules_from_json('FeatherBench.json')
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#print(loaded_molecules)
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# Create a database and add molecules
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db_name = 'FeatherBench.db'
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create_database(db_name)
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for molecule in FeatherBench:
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add_molecule_to_db(db_name, molecule)
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