#!/usr/bin/env python
# -*- coding: utf-8 -*-

"""
This script runs stand-alone simulation on an RMG job.  This is effectively the 
same script as sensitivity.py
"""

import os.path
import argparse

from rmgpy.tools.sensitivity import runSensitivity

################################################################################

def parse_arguments():

    parser = argparse.ArgumentParser()
    parser.add_argument('input', metavar='INPUT', type=str, nargs=1,
        help='RMG input file')
    parser.add_argument('chemkin', metavar='CHEMKIN', type=str, nargs=1,
        help='Chemkin file')
    parser.add_argument('dictionary', metavar='DICTIONARY', type=str, nargs=1,
        help='RMG dictionary file')
    args = parser.parse_args()
    
    inputFile = os.path.abspath(args.input[0])
    chemkinFile = os.path.abspath(args.chemkin[0])
    dictFile = os.path.abspath(args.dictionary[0])

    return inputFile, chemkinFile, dictFile

def main():
    # This might not work anymore because functions were modified for use with webserver

    inputFile, chemkinFile, dictFile = parse_arguments()

    runSensitivity(inputFile, chemkinFile, dictFile)

################################################################################


if __name__ == '__main__':
    main()

    
    
    
Add a standalone simulation script (really a duplicate of sensitivity.py)
Add a standalone simulation script (really a duplicate of sensitivity.py)
