Package schrodinger :: Package application :: Package matsci :: Package rxn_channel :: Module rxn_channel :: Class ChannelDefinition
[hide private]
[frames] | no frames]

Class ChannelDefinition

object --+
         |
        ChannelDefinition

Manage a reaction channel definition.

Instance Methods [hide private]
 
__init__(self, str_definition, logger=None)
Create an instance.
 
__eq__(self, other)
Define class equality.
 
__repr__(self)
Define representation format.
 
setChannelAttrs(self, r_one_a_one, r_two_a_one, r_one_a_two=None, r_two_a_two=None)
Set up some attributes for this class.
 
checkDefStrFormat(self)
Check the format of the string representation of the definition.
 
checkAtomUniqueness(self)
Check for unique atoms.
 
checkAtomZeroIndex(self)
Check for an atom index that is zero.
 
checkDefinition(self)
Check this reaction channel definition.

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

Class Variables [hide private]
  PATTERN = re.compile(r'\s*(\d+)\s*(\d+)?\s*;\s*(\d+)\s*(\d+)?\...
  FIRST_SEP = ';'
  SECOND_SEP = ' '
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, str_definition, logger=None)
(Constructor)

 

Create an instance.

Parameters:
  • str_definition (str) - the string representation of the definition
  • logger (logging.getLogger) - output logger
Overrides: object.__init__

__repr__(self)
(Representation operator)

 

Define representation format.

Overrides: object.__repr__

setChannelAttrs(self, r_one_a_one, r_two_a_one, r_one_a_two=None, r_two_a_two=None)

 

Set up some attributes for this class.

Parameters:
  • r_one_a_one (int) - the first atom of the first reactant
  • r_two_a_one (int) - the first atom of the second reactant
  • r_one_a_two (int) - the second atom of the first reactant
  • r_two_a_two (int) - the second atom of the second reactant

Class Variable Details [hide private]

PATTERN

Value:
re.compile(r'\s*(\d+)\s*(\d+)?\s*;\s*(\d+)\s*(\d+)?\s*$')