Create a model_maker python script

#!/bin/python3

#   Copyright (C) 2024   INAF - Osservatorio Astronomico di Cagliari

#

#   This program is free software: you can redistribute it and/or modify

#   it under the terms of the GNU General Public License as published by

#   the Free Software Foundation, either version 3 of the License, or

#   (at your option) any later version.

#   

#   This program is distributed in the hope that it will be useful,

#   but WITHOUT ANY WARRANTY; without even the implied warranty of

#   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the

#   GNU General Public License for more details.

#   

#   A copy of the GNU General Public License is distributed along with

#   this program in the COPYING file. If not, see: <https://www.gnu.org/licenses/>.

## @package pycompare

#  \brief Script to build models from YAML configuration files

import cmath

import yaml

from sys import argv

## \brief Main execution code

#

# `main()` is the function that handles the creation of the code configuration.

# It returns an integer value as exit code, using 0 to signal successful execution.

#

# \returns result: `int` Number of detected error-level inconsistencies.

def main():

    result = 0

    if (len(argv) < 2):

        print_help()

    else:

        model = load_model(argv[1])

        if model is not None:

            result = write_sconf(model)

        else:

            print("ERROR: could not create configuration.")

            result = 1

    return result

def load_model(model_file):

    result = None

    try:

        with open(model_file, 'r') as stream:

            result = yaml.safe_load(stream)

    except yaml.YAMLError:

        print("ERROR: " + model_file + " is not a valid configuration!")

        result = None

    except FileNotFoundError:

        print("ERROR: " + model_file + " was not found!")

    return result

## \brief Print a command-line help summary.

def print_help():

    print("                                               ")

    print("***              MODEL_MAKER                ***")

    print("                                               ")

    print("Create input files for FORTRAN and C++ code.   ")

    print("                                               ")

    print("Usage: \"./model_maker.py CONFIG [OPTIONS]\"   ")

    print("                                               ")

    print("CONFIG must be a valid YAML configuration file.")

    print("                                               ")

    print("Valid options are:                             ")

    print("--help                Print this help and exit.")

    print("                                               ")

def write_sconf(model, form='legacy'):

    result = 0

    out_file = (

        model['input_settings']['input_folder'] + "/" +

        model['input_settings']['spheres_file']

    )

    #print("DEBUG: out_file = " + out_file)

    nsph = model['particle_settings']['n_spheres']

    ies = 1 if model['particle_settings']['application'] == "inclusion" else 0

    exri= float(model['material_settings']['extern_refr'])

    wp = float(model['radiation_settings']['wp'])

    xip = float(model['radiation_settings']['xip'])

    scale_start = float(model['radiation_settings']['scale_start'])

    scale_end = float(model['radiation_settings']['scale_end'])

    scale_step = float(model['radiation_settings']['scale_step'])

    idfc = int(model['radiation_settings']['diel_flag'])

    instpc = int(model['radiation_settings']['step_flag'])

    xi_flag = 3

    nxi = 1 + int((scale_end - scale_start) / scale_step)

    if form == 'legacy':

        # Write legacy output

        #print("DEBUG: writing to file.")

        output = open(out_file, 'w')

        str_line = " {0:3d}{1:3d}\n".format(nsph, ies)

        output.write(str_line)

        str_line = " {0:12.7E} {1:12.7E} {2:12.7E} {3:2d} {4:7d} {5:4d} {6:3d}\n".format(

            exri, wp, xip, idfc, nxi, instpc, xi_flag

        )

        output.write(str_line)

        output.close()

    return result

def write_gconf(model, out_file):

    return

## \brief Exit code (0 for success)

exit_code = main()

exit(exit_code)