A worked example on scientific computing with Python

 

 

 

User input

We can in this example easily set the input data directly in the program, e.g., in the call to the solve function, as demonstrated above. However, most users will find it more convenient to set parameters through a user interface rather than editing the source code directly.

Positional command-line arguments

The simplest, and often also the most effective type of user interface is to use the command line. Suppose \( m \), \( k \), and \( v \), as well as the URL or filename for the road shapes, are fixed parameters and that the user is allowed to vary \( b \) only. Then it is convenient, both for the user and the programmer, to specify \( b \) as the first command-line argument to the program. If the name of the program file is bumpy.py and \( b=10 \) is desired, we can write 

Terminal> python bumpy.py 10

The corresponding code in the program for setting input data and extract the user-given value of \( b \) reads 

def prepare_input():
    url = 'http://hplbit.bitbucket.org/data/bumpy/bumpy.dat.gz'
    m = 60
    k = 60
    v = 5
    try:
        b = float(sys.argv[1])
    except IndexError:
        b = 80  # default
    return url, m, b, k, v

The command-line arguments are available as strings in the list sys.argv, from the element with index 1 and onward. The first command-line argument sys.argv[1] is a string so it must be converted to a float object (representing real number) prior to computations. If the command-line argument is missing, sys.argv[1] is illegal indexing and the IndexError exception is raised. We can test for this error and provide a default value. Without the try-except construction, the program will abort with an error message if no command-line argument is given.

Option-value pairs on the command line

Letting the user set many parameters on the command line is most conveniently done by allowing option-value pairs, e.g., 

Terminal> python bumpy.py --m 40 --b 280

All parameters have a default value which can be overridden on the command line by providing the string (option) --name, where name is the name of the parameter, followed by the desired value of the parameter. Implementation of option-value input is most easily carried out using Python's argparse module. The recipe goes as follows. 

def command_line_options():
    import argparse
    parser = argparse.ArgumentParser()
    parser.add_argument('--m', '--mass', type=float,
                        default=60, help='mass of vehicle')
    parser.add_argument('--k', '--spring', type=float,
                        default=60, help='spring parameter')
    parser.add_argument('--b', '--damping', type=float,
                        default=80, help='damping parameter')
    parser.add_argument('--v', '--velocity', type=float,
                        default=5, help='velocity of vehicle')
    url = 'http://hplbit.bitbucket.org/data/bumpy/bumpy.dat.gz'
    parser.add_argument('--roadfile', type=str,
              default=url, help='filename/URL with road data')
    args = parser.parse_args()
    # Extract input parameters
    m = args.m; k = args.k; b = args.b; v = args.v
    url = args.roadfile
    return url, m, b, k, v

We may offer two options for each parameter, one reflecting the mathematical symbol (like --v) and one more descriptive text (like --velocity).