[update fireworks database] check the structure charge and update the charge #fireworks

update_fw_structure_charge.py

for doc in FW_STORE.query({
    "spec._tasks.0.job.function_args.0.charge": {"$exists": 1}, 
    "spec._tasks.0.job.function.@bound.write_additional_data.info:json": {"$exists": 1},
    # "fw_id" : {"$gt" : 1000}
}
):
    chg_structure = doc["spec"]["_tasks"][0]["job"]["function_args"][0]["charge"]
    chg_defect = doc["spec"]["_tasks"][0]["job"]["function"]["@bound"]["write_additional_data"]["info:json"]["charge_state"]
    if chg_structure != chg_defect:
        print('messed', doc["fw_id"])
        FW_STORE._collection.update_one(
            {"_id": doc["_id"]},
            {"$set": {"spec._tasks.0.job.function_args.0.charge": int(chg_defect)}},
        )
        LPAD.rerun_fw(doc["fw_id"])