Class Constants

object --+
         |
        Constants

Manage some constants.

Instance Methods

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

Class Variables

CHANNEL_FILE = 'CHANNEL_FILE'

NUM_RANDOM_CHANNELS = 0
hash(x)

ALL_RANDOM_CHANNELS = 'all'

NUM_RANDOM_CHANNELS_METAVAR = 'INT or \'all\''

ASSOCIATION_TYPE = 'association'

DISSOCIATION_TYPE = 'dissociation'

SINGLE_DISPLACEMENT_TYPE = 'single_displacement'

DOUBLE_DISPLACEMENT_TYPE = 'double_displacement'

ALL_TYPES = 'all'

RANDOM_TYPES_CHOICES = ['association', 'dissociation', 'single...

DEFAULT_RANDOM_TYPES = ['double_displacement']

RANDOM_SEED = None
hash(x)

ALLOW_ADSORPTION_ONTO = OrderedDict([('graphene', '[c-0X3][c-0...

ALL_SMARTS = 'all'

ALLOW_ADSORPTION_ONTO_METAVAR = 'SMARTS or \'all\''

DISSOCIATION_BOND_LENGTH = 10.0

NO_MINIMIZATION = False
hash(x)

ISOLATE_PRODUCTS = False
hash(x)

NO_REACTIVE_H = False
hash(x)

SUPPORTED_IN_EXTS = ['.mae', '.mae.gz', '.maegz']

UNIQUE = False
hash(x)

Properties

Inherited from object: __class__

Class Variable Details

Value:

['association',
 'dissociation',
 'single_displacement',
 'double_displacement',
 'all']

Value:

OrderedDict([('graphene', '[c-0X3][c-0X3]([c-0X3]([c-0X3]([c-0X3])[c-0
X3])[c-0X3]([c-0X3])[c-0X3])[c-0X3]')])