Package schrodinger :: Package application :: Package matsci :: Package nano :: Module xtal :: Class ParserWrapper

Class ParserWrapper

object --+
         |
        ParserWrapper

Manages the argparse module to parse user command line arguments.

Instance Methods

[hide private]

__init__(self, args, scriptname, description)
Create a ParserWrapper object and process it.

loadIt(self)
Load ParserWrapper with options.

parseArgs(self, args)
Parse the command line arguments.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Class Variables

[hide private]

SPACE_GROUP = None
hash(x)

A_PARAM = None
hash(x)

B_PARAM = None
hash(x)

C_PARAM = None
hash(x)

ALPHA_PARAM = None
hash(x)

BETA_PARAM = None
hash(x)

GAMMA_PARAM = None
hash(x)

MIN_ANGLE = 0.0

MAX_ANGLE = 180.0

NCELLA = 1

NCELLB = 1

NCELLC = 1

ORIGIN = [0.0, 0.0, 0.0]

BONDING_THRESHOLD = 100

BOND_ORDERS_THRESHOLD = 100

CHOICE_ON = 'on'

CHOICE_OFF = 'off'

CHOICE_NONE = 'none'

BONDING_CHOICES = ['on', 'off', 'none']

BONDING_DEFAULT = 'none'

BOND_ORDERS_CHOICES = ['on', 'off', 'none']

BOND_ORDERS_DEFAULT = 'none'

TRANSLATE_CHOICES = ['on', 'off', 'none']

TRANSLATE_DEFAULT = 'none'

ATOMS = 'atoms'

MOLECULES = 'molecules'

TRANSLATE_TYPE_CHOICES = ['atoms', 'molecules']

TRANSLATE_TYPE_DEFAULT = 'atoms'

COV_MIN = 0.4

COV_OFFSET = 0.45

COV_FACTOR = 1.0

PRINT_INFO = False
hash(x)

NO_PBC_BONDING = False
hash(x)

PBC_BONDING = True
hash(x)

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, args, scriptname, description)
(Constructor)

Create a ParserWrapper object and process it.

Parameters:

args (tuple) - command line arguments
scriptname (str) - name of this script
description (str) - description of this script

Overrides: object.__init__

parseArgs(self, args)

Parse the command line arguments.

Parameters:

args (tuple) - command line arguments

Class ParserWrapper

__init__(self, args, scriptname, description) (Constructor)

parseArgs(self, args)

init(self, args, scriptname, description)
(Constructor)