A Synthesizer is a "machine" that given a RouteNode, knows
how to apply all the reactions in the RouteNode in the right order to a
list of starting materials to give the final product.
|
|
__init__(self,
route,
id_property='s_m_title')
Create a synthesizer from a route. |
|
|
|
|
_compile(self,
route)
Turn the route tree into a list of instructions for the stack-based
machine implemented in the run() method. |
|
|
|
Mol, or None if the synthesis failed
|
run(self,
starting_materials)
Return the final product of the RouteNode given a list of starting
materials. |
|
|
|
|
| _popReactants(self,
reaction,
stack) |
|
|
|
|
| _applyReaction(self,
reaction,
reactants) |
|
|
|
generator of Mol
|
synthesizeCombinations(self,
reagent_sources)
A generator of all combinations of products that can be synthesized
by the route using the given sets of starting materials. |
|
|
|
|
| _gotMultipleProducts(self,
products) |
|
|
|
|
| _setProductProperties(self,
product,
starting_materials) |
|
|
|
|
| _clearProductProperties(self,
mol) |
|
|
|
|
|
|
Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__repr__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
|