Package schrodinger :: Package analysis :: Module reaction :: Class Node

Class Node

object --+
         |
        Node

Known Subclasses:

Base class for a node in a synthetic route or a retrosynthetic tree. A node is associated with a molecule and with a reagent class (both of which may be None). It is also associated with zero or more reaction instances, but the base class does not implement an API to add reaction instances because each subclass has a different policy concerning the number of reaction instances allowed.

Instance Methods

[hide private]

__init__(self, mol, reagent_class)
x.__init__(...) initializes x; see help(type(x)) for signature

str

treeAsString(self, products=True)
Return a recursive string representation of the tree (unlike __str__, which is a short representation of the current node).

_asStringList(self, products, depth)

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, mol, reagent_class)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

reagent_class (str or NoneType)
mol (Mol or NoneType)

Overrides: object.__init__

treeAsString(self, products=True)

Return a recursive string representation of the tree (unlike __str__, which is a short representation of the current node). If 'products' is False, only the reactions and the ultimate starting materials are included. If it is True, the target and intermediates are included too.

Returns: str

Class Node

__init__(self, mol, reagent_class) (Constructor)

treeAsString(self, products=True)

init(self, mol, reagent_class)
(Constructor)