Class Constants

object --+
         |
        Constants

Manage some constants.

Instance Methods

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

Class Variables

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CHANNEL_FILE = 'CHANNEL_FILE'

NUM_RANDOM_CHANNELS = 0

ALL_RANDOM_CHANNELS = 'all'

NUM_RANDOM_CHANNELS_METAVAR = 'INT or \'%s\'' % ALL_RANDOM_CHA...

ASSOCIATION_TYPE = 'association'

DISSOCIATION_TYPE = 'dissociation'

SINGLE_DISPLACEMENT_TYPE = 'single_displacement'

DOUBLE_DISPLACEMENT_TYPE = 'double_displacement'

ALL_TYPES = 'all'

RANDOM_TYPES_CHOICES = [ASSOCIATION_TYPE, DISSOCIATION_TYPE, S...

DEFAULT_RANDOM_TYPES = [DOUBLE_DISPLACEMENT_TYPE]

RANDOM_SEED = None
hash(x)

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

ALL_SMARTS = 'all'

ALLOW_ADSORPTION_ONTO_METAVAR = 'SMARTS or \'%s\'' % ALL_SMARTS

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

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Inherited from object: __class__

Class Variable Details

[hide private]

NUM_RANDOM_CHANNELS_METAVAR

Value:

'INT or \'%s\'' % ALL_RANDOM_CHANNELS

RANDOM_TYPES_CHOICES

Value:

[ASSOCIATION_TYPE, DISSOCIATION_TYPE, SINGLE_DISPLACEMENT_TYPE, DOUBLE
_DISPLACEMENT_TYPE, ALL_TYPES]

ALLOW_ADSORPTION_ONTO

Value:

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