itcsimlib.itc_calc module¶

Base itc calculation routines for handling multiprocessing.

class itcsimlib.itc_calc.ITCCalc(T0, model, in_queue, out_queue)[source]¶

Bases: multiprocessing.context.Process

Worker daemon that uses the provided model to predict titration point enthalpies.

T0¶

The reference temperature used in the simulation.

Type:	float

model¶

The model used to generate per-injection enthalpies.

Type:	ITCModel

iQ¶

The queue to read incoming model parameters and ITCExperiments from.

Type:	Queue

oQ¶

The queue to submit calculated enthalpies (or errors) to.

Type:	Queue

Start processing submitted experiments in the input queue.