Package schrodinger :: Package analysis :: Module reaction :: Class RetroSynthesisNode

Class RetroSynthesisNode

object --+    
         |    
      Node --+
             |
            RetroSynthesisNode

A node in a retrosynthetic analysis tree. A node may have one or more reaction instances, which represent the ways of synthesizing the node in a single step.

Instance Methods

[hide private]

__str__(self)
str(x)

addReactionInstance(self, reaction, precursors)
Add a reaction instance to the current node.

list of RouteNode

getRoutes(self)
Enumerate all the possible routes to synthesize the target.

Inherited from Node: __init__, treeAsString

Inherited from Node (private): _asStringList

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

str(self)
(Informal representation operator)

str(x)

Overrides: object.__str__: (inherited documentation)

addReactionInstance(self, reaction, precursors)

Add a reaction instance to the current node. This represents a one-step synthesis of the node from a list of precursor nodes.

Parameters:

reaction (Reaction)
precursors (list of Node-derived objects)

Class RetroSynthesisNode

__str__(self) (Informal representation operator)

addReactionInstance(self, reaction, precursors)

str(self)
(Informal representation operator)