Reads a serpent input file and writes an OpenMC input file for materials. Usage: `python3 serpent_openmc_mat_converter.py -i <inputfile> -o <outputfile>`

serpent_openmc_mat_converter.py

import sys, getopt

elements = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg',
       'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr',
       'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br',
       'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd',
       'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La',
       'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er',
       'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au',
       'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th',
       'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md',
       'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt', 'Ds', 'Rg', 'Cn',
       'Nh', 'Fl', 'Mc', 'Lv', 'Ts', 'Og']


def iso_from_no(no):
    az = int(no.split('.')[0])
    a = int(az/1000)
    z = az%1000
    el = elements[a-1]
    return el + str(z)

def both_print(string, file):
    print(string)
    if file:
        file.write(string + '\n')

def main(argv):
    inputfile = ''
    outputfile = ''
    try:
        opts, args = getopt.getopt(argv, "hi:o:",["ifile=","ofile="])
    except getopt.GetoptError:
        print('python3 serpent_openmc_mat_converter.py -i <inputfile> -o <outputfile>')
        sys.exit(2)
    for opt, arg in opts:
        if opt == '-h':
            print('python3 serpent_openmc_mat_converter.py -i <inputfile> -o <outputfile>')
            sys.exit()
        elif opt in ("-i", "--ifile"):
            inputfile = arg
        elif opt in ("-o", "--ofile"):
            outputfile = arg
            ofile = open('output', 'w')
    if inputfile == '':
        print('python3 serpent_openmc_mat_converter.py -i <inputfile> -o <outputfile>')
        sys.exit()
    print('Input file is "', inputfile)
    print('Output file is "', ofile)
    reading_mat = False
    for line in open(inputfile, 'r'):
        if line.startswith('mat'):
            reading_mat = True
            ls = line.split()
            matname = ls[1]
            dens = float(ls[2])
            both_print('{} = openmc.Material()'.format(matname), ofile)
            if dens < 0:
                both_print('{}.set_density(\'g/cm3\', {})'.format(matname, -dens), ofile)
            if 'tmp' in ls:
                tmp = float(ls[ls.index('tmp')+1])
                both_print('{}.temperature = {}'.format(matname, tmp), ofile)
        if reading_mat:
            ls = line.split()
            if len(ls) == 2:
                el = iso_from_no(ls[0])
                fract = float(ls[1])
                if fract > 0:
                    both_print('{}.add_nuclide( \'{}\', {}, \'{}\')'.format(
                        matname, el, fract, 'ao'), ofile)
                if fract < 0:
                    both_print('{}.add_nuclide( \'{}\', {}, \'{}\')'.format(
                        matname, el, -fract, 'wo'), ofile)
            if len(ls) == 0:
                reading_mat = False
                both_print('', ofile)
            


if __name__ == "__main__":
    main(sys.argv[1:])