Package CHEM :: Package CombiCDB :: Module SynthesisUtil :: Class BaseRetroProductSelector

Class BaseRetroProductSelector

Base class to define how a retro product selector should behave. Given a collection of retro-reagents and a target molecule, it will apply the retro-reagents to the target molecule. Any of the retro-products (precursors) it deems worthy will be returned, along with a reference to the retro-reagent that created it.

Instance Methods

[hide private]

__init__(self)

__call__(self, retroReagentList, targetMol)
Should return a list of 3-ples, consisting of the accepted / selected retro product information

Method Details

[hide private]

call(self, retroReagentList, targetMol)
(Call operator)

Should return a list of 3-ples, consisting of the accepted / selected retro product information

retroProduct molecule object
retroReagent object reference
iReagent index of the retro reagent in the list of reagents

Class BaseRetroProductSelector

__call__(self, retroReagentList, targetMol) (Call operator)

call(self, retroReagentList, targetMol)
(Call operator)