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gmx::ISimulatorElement Class Referenceabstract

#include <gromacs/modularsimulator/modularsimulatorinterfaces.h>

+ Inheritance diagram for gmx::ISimulatorElement:

Description

The general interface for elements of the modular simulator.

Setup and teardown are run once at the beginning of the simulation (after all elements were set up, before the first step) and at the end of the simulation (after the last step, before elements are destructed), respectively. registerRun is periodically called during the run, at which point elements can decide to register one or more run functions to be run at a specific time / step. Registering more than one function is especially valuable for collective elements consisting of more than one single element.

Public Member Functions

virtual void scheduleTask (Step, Time, const RegisterRunFunctionPtr &)=0
 Query whether element wants to run at step / time. More...
 
virtual void elementSetup ()=0
 Method guaranteed to be called after construction, before simulator run.
 
virtual void elementTeardown ()=0
 Method guaranteed to be called after simulator run, before deconstruction.
 
virtual ~ISimulatorElement ()=default
 Standard virtual destructor.
 

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