Gromacs
2019-rc1
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#include <gromacs/mdrun/simulationcontext.h>
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()
This is a minimal placeholder for a more complete implementation. Interfaces for different API levels are not yet final, but also depend on additional development of t_commrec and other resources.
Also reference https://redmine.gromacs.org/issues/2587
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... | |
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explicit |
Initializate with borrowed values.
communicationRecord | non-owning communication record handle. |
Client code is responsible for cleaning up communicationRecord after SimulationContext is destroyed.
SimulationContext should be the owner of these objects and these implementation details are subject to change as ownership semantics are clarified in future development.
t_commrec* gmx::SimulationContext::communicationRecord_ |
Non-owning communicator handle.
Communication record is allocated, initialized, and finalized by client code without clearly transferring ownership.