def pot_dict_from_string(pot_data):
        """
        Creates atomic symbol/potential number dictionary
        forward and reverse

        Arg:
            pot_data: potential data in string format

        Returns:
            forward and reverse atom symbol and potential number dictionaries.
        """

        pot_dict = {}
        pot_dict_reverse = {}
        begin = 0
        ln = -1

        for line in pot_data.split("\n"):
            try:
                if begin == 0 and line.split()[0] == "0":
                    begin += 1
                    ln = 0
                if begin == 1:
                    ln += 1
                if ln > 0:
                    atom = line.split()[2]
                    index = int(line.split()[0])
                    pot_dict[atom] = index
                    pot_dict_reverse[index] = atom
            except (ValueError, IndexError):
                pass
        return pot_dict, pot_dict_reverse
def pot_dict_from_string ( pot_data ) : pot_dict = { } pot_dict_reverse = { } begin = 0 ln = - 1 for line in pot_data . split ( "\n" ) : try : if begin == 0 and line . split ( ) [ 0 ] == "0" : begin += 1 ln = 0 if begin == 1 : ln += 1 if ln > 0 : atom = line . split ( ) [ 2 ] index = int ( line . split ( ) [ 0 ] ) pot_dict [ atom ] = index pot_dict_reverse [ index ] = atom except ( ValueError , IndexError ) : pass return pot_dict , pot_dict_reverse
Creates atomic symbol/potential number dictionary
        forward and reverse

        Arg:
            pot_data: potential data in string format

        Returns:
            forward and reverse atom symbol and potential number dictionaries.