apply.py

from moleculeresolver import MoleculeResolver

# if you specify molecule_cache_db_path, you will have a separate cache for 
# the found molecules in each folder. If you leave the default, all instances 
# of MoleculeResolver will share the same cache

with MoleculeResolver(
    available_service_API_keys={"chemeo": "YOUR_CHEMEO_API_KEY"},
    molecule_cache_db_path="test.db",
) as mr:
    names_to_find = ["2-bromobutane", "ethanol", "methanol", "propane", "butane"]

    # search for the names in parallel
    all_names = []
    all_modes = []
    for name in names_to_find:
        names = mr.expand_name_heuristically(name)
        all_names.append(names)
        all_modes.append(["name"])

    molecules_found_in_parallel = mr.find_multiple_molecules_parallelized(
        all_names, all_modes
    )
    print("all_found_in_parallel:", all(molecules_found_in_parallel))

    # search for the names sequentially
    molecules = []
    for name in names_to_find:
        names = mr.expand_name_heuristically(name)
        molecule = mr.find_single_molecule_cross_checked(names, "name")
        molecules.append(molecule)
    print("all_found:", all(molecules))

    # search for CAS numbers
    molecules_found_by_CAS = []
    CAS_numbers = ["7732-18-5", "78-76-2", "64-17-5", "67-56-1", "74-98-6", "106-97-8"]
    for CAS in CAS_numbers:
        molecule = mr.find_single_molecule_cross_checked(CAS, "CAS")
        molecules_found_by_CAS.append(molecule)

    print("all_found_by_CAS:", all(molecules_found_by_CAS))