import os, argparse, pickle, tempfile, concurrent
from openfold.data import parsers
from concurrent.futures import ProcessPoolExecutor

def parse_stockholm_file(alignment_dir: str, stockholm_file: str):
    path = os.path.join(alignment_dir, stockholm_file)
    file_name,_ = os.path.splitext(stockholm_file)
    with open(path, "r") as infile:
        msa = parsers.parse_stockholm(infile.read())
        infile.close()
    return {file_name: msa}

def parse_a3m_file(alignment_dir: str, a3m_file: str):
    path = os.path.join(alignment_dir, a3m_file)
    file_name,_ = os.path.splitext(a3m_file)
    with open(path, "r") as infile:
        msa = parsers.parse_a3m(infile.read())
        infile.close()
    return {file_name: msa}

def run_parse_all_msa_files_multiprocessing(stockholm_files: list, a3m_files: list, alignment_dir:str):
    # Number of workers based on the tasks
    msa_results={}
    a3m_tasks = [(alignment_dir, f) for f in a3m_files]
    sto_tasks = [(alignment_dir, f) for f in stockholm_files]
    with ProcessPoolExecutor(max_workers = len(a3m_tasks) + len(sto_tasks)) as executor:
        a3m_futures = {executor.submit(parse_a3m_file, *task): task for task in a3m_tasks}
        sto_futures = {executor.submit(parse_stockholm_file, *task): task for task in sto_tasks}

        for future in concurrent.futures.as_completed(a3m_futures | sto_futures):
            try:
                result = future.result()
                msa_results.update(result)
            except Exception as exc:
                print(f'Task generated an exception: {exc}')
        return msa_results

def main():  
    parser = argparse.ArgumentParser(description='Process msa files in parallel')
    parser.add_argument('--alignment_dir', type=str, help='path to alignment dir')
    args = parser.parse_args()
    alignment_dir = args.alignment_dir
    stockholm_files = [i for i in os.listdir(alignment_dir) if (i.endswith('.sto') and ("hmm_output" not in i))]
    a3m_files = [i for i in os.listdir(alignment_dir) if i.endswith('.a3m')]
    msa_data = run_parse_all_msa_files_multiprocessing(stockholm_files, a3m_files, alignment_dir)
    with tempfile.NamedTemporaryFile('wb', suffix='.pkl', delete=False) as outfile:
        pickle.dump(msa_data, outfile)
        print(outfile.name)

if __name__ == "__main__":
    main()