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gmx::SimulationContext Class Referencefinal

#include <gromacs/mdrun/simulationcontext.h>

Description

Simulation environment and configuration.

SimulationContext allows a simulation module () to retrieve runtime parameters and resources from client code. The client retains ownership of the context and its resources, with exceptions as noted.

The public interface of SimulationContext is not yet well-specified. Client code can create an instance with gmx::createSimulationContext()

Todo:
This class should also handle aspects of simulation environment such as working directory and environment variables.

Public Member Functions

 SimulationContext ()=delete
 Object must be initialized with non-default constructor.
 
 SimulationContext (t_commrec *communicationRecord)
 Initializate with borrowed values. More...
 

Public Attributes

t_commrec * communicationRecord_
 Non-owning communicator handle. More...
 

Constructor & Destructor Documentation

gmx::SimulationContext::SimulationContext ( t_commrec *  communicationRecord)
explicit

Initializate with borrowed values.

Parameters
communicationRecordnon-owning communication record handle.

Client code is responsible for cleaning up communicationRecord after SimulationContext is destroyed.

Member Data Documentation

t_commrec* gmx::SimulationContext::communicationRecord_

Non-owning communicator handle.

Communication record is allocated, initialized, and finalized by client code without clearly transferring ownership.

Todo:
Context should own communicator.

The documentation for this class was generated from the following files: