Source code for uclchem.debug

"""Functions to help debugging UCLCHEM"""

from uclchemwrap import uclchemwrap as wrap




def get_f2py_signature(write=False) -> str:
    """Get the signature of the UCLCHEM fortran code

    Args:
        write (bool, optional): Write to disk. Defaults to False.

    Returns:
        str: Signature of the UCLCHEM fortran code from the f2py wrapper
    """
    signature = wrap.__doc__
    if write:
        with open("signature_file.txt", "w") as fh:
            fh.write(signature)
    return signature