A simulation software for organic synthesis on an automated experimentation platform.
The architecture of the simulator is based on the following concepts,
hw.LabObject:
- any physical object except reaction-participating chemicals
- a state machine
hw.Device: a hw.LabObject that
- can, by receiving hw.Instruction, execute its action_methods to
- change its own state
- change other hw.LabObject instances’ states
- move simulation clock
An action_method is always implemented as two separate methods
PreActor(action_parameters)- checks preconditions, error out if not met
- make projections about the action
- what hw.LabObjects will be occupied during this action?
- how long will this action take?
PostActor(action_parameters)- makes state transitions for all involved objects
hw.Instruction:
- carries action_parameters
- knows its preceding/succeeding hw.Instruction instances
- lifecycle
- when triggered, sends one request for each involved
hw.LabObjectinstance - a request returns a place in the queue of that
hw.LabObject(first come first serve) - once all requests are accepted, run the action’s PreActor
- move the simulation clock
- run the action’s PostActor
- releases all occupied
hw.LabObjectinstances - trigger succeeding hw.Instruction instances in its callbacks
- when triggered, sends one request for each involved
A demo of N-Sulfonylation benchmark reaction can be accessed through this temporary link.
The demo simulates the following instructions.
