Python add_options Examples

Example #1

File: ice_21_wales.py Project: pauliparkkinen/ice_package

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)

    (options, args) = parser.parse_args()
    wa =  Wales()
    hr = HandleResults(wa)
    wa.execute_commands(options, args)
    hr.execute_commands(options, args)

Example #2

File: ice_bilayer.py Project: pauliparkkinen/ice_package

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    add_options_ih(parser)

    (options, args) = parser.parse_args()
    wa = IceIh(n_x=options.n_x, n_y=options.n_y)
    hr = HandleResults(wa)
    wa.execute_commands(options, args)
    hr.execute_commands(options, args)

Example #3

File: run.py Project: pauliparkkinen/ice_package

def handle_options():
    from handle_results import get_parser

    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)

    (options, args) = parser.parse_args()
    hr = Run(options, args)
    hr.initialize()
    hr.execute_commands()

Example #4

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    add_options_ih(parser)
    add_options_limit(parser)
    
    (options, args) = parser.parse_args()
    wa =  IceIhLimited(n_x = options.n_x, n_y = options.n_y, n_z = options.n_z, slab = options.slab, orth = options.orth, misc = options.misc, limit = options.limit)
    wa.classification = Classification(wa) 
    hr = HandleResults(wa)
    wa.invariant_count = options.invariant_count
    wa.execute_commands(options, args)
    wa.execute_local_commands(options, args)
    hr.execute_commands(options, args)

Example #5

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    add_options_ih(parser)

    (options, args) = parser.parse_args()
    hr = IceIhLimited(n_x=options.n_x,
                      n_y=options.n_y,
                      n_z=options.n_z,
                      slab=options.slab,
                      orth=options.orth,
                      misc=options.misc,
                      options=options,
                      args=args)
    hr.execute_commands()

Example #6

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    parser.add_option("--number_of_nodes",
                      dest='n',
                      action="store",
                      type="int",
                      help="Number of 4 molecule nodes in wire.",
                      default=1)

    (options, args) = parser.parse_args()
    wa = Wire(n=options.n)
    wa.execute_commands(options, args)
    hr = HandleResults(wa)
    hr.execute_commands(options, args)

Example #7

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    add_options_ih(parser)

    (options, args) = parser.parse_args()
    wa = IceIh(n_x=options.n_x,
               n_y=options.n_y,
               n_z=options.n_z,
               slab=options.slab,
               orth=options.orth,
               misc=options.misc)
    hr = HandleResults(wa)
    wa.execute_commands(options, args)
    wa.execute_local_commands(options, args)
    hr.execute_commands(options, args)

Example #8

File: ice_nt.py Project: pauliparkkinen/ice_package

def handle_options():
    from water_algorithm import add_options
    parser = get_parser()
    add_options(parser)
    parser.add_option("--number_of_molecules_in_layer",
                      dest='n',
                      action="store",
                      type="int",
                      help="Number of molecules in a layer",
                      default=2)
    parser.add_option("--number_of_layers",
                      dest='m',
                      action="store",
                      type="int",
                      help="Number layers in a nanotube",
                      default=4)

    (options, args) = parser.parse_args()
    wa = INT(m=options.m, n=options.n, options=options, args=args)
    wa.execute_commands()