Gromacs
2020-beta1
|
#include <gromacs/mdrun/simulatorbuilder.h>
Class preparing the creation of Simulator objects.
Objects of this class build Simulator objects, which in turn are used to run molecular simulations. Currently, this only has a single public build
function which takes all arguments needed to build the LegacySimulator
.
Public Member Functions | |
template<typename... Args> | |
std::unique_ptr< ISimulator > | build (bool inputIsCompatibleWithModularSimulator, Args &&...args) |
Build a Simulator object based on input data. More... | |
std::unique_ptr< ISimulator > gmx::SimulatorBuilder::build | ( | bool | inputIsCompatibleWithModularSimulator, |
Args &&... | args | ||
) |
Build a Simulator object based on input data.
Build a Simulator object.
Return a pointer to a simulation object. The use of a parameter pack insulates the builder from changes to the arguments of the Simulator objects.