gmx::RestraintMDModuleImpl Class Reference

#include <gromacs/restraint/restraintmdmodule_impl.h>

Description

IMDModule implementation for RestraintMDModule.

Provides IMDModule interface.

Public Member Functions
	RestraintMDModuleImpl (std::shared_ptr< gmx::IRestraintPotential > restraint, const std::vector< int > &sites)
	Wrap an object implementing IRestraintPotential. More...
void	initForceProviders (ForceProviders *forceProviders)
	Implement IMDModule interface. More...
	RestraintMDModuleImpl (RestraintMDModuleImpl &&) noexcept=default
	Allow moves.
RestraintMDModuleImpl &	operator= (RestraintMDModuleImpl &&) noexcept=default

Public Attributes
std::unique_ptr < RestraintForceProvider >	forceProvider_
	handle to RestraintForceProvider implementation

Constructor & Destructor Documentation

gmx::RestraintMDModuleImpl::RestraintMDModuleImpl	(	std::shared_ptr< gmx::IRestraintPotential >	restraint,
		const std::vector< int > &	sites
	)

Wrap an object implementing IRestraintPotential.

Parameters

restraint	handle to restraint to wrap.
sites	list of sites for framework to process for restraint force calculator.

Member Function Documentation

void gmx::RestraintMDModuleImpl::initForceProviders

(

ForceProviders *

forceProviders

)

Implement IMDModule interface.

Parameters

forceProviders

force module manager in the force record that will call this.

The calling code must ensure that this object stays alive as long as forceProviders needs the RestraintForceProvider, since forceProviders can't. Typically that is the duration of a do_md() call.

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

• src/gromacs/restraint/restraintmdmodule_impl.h
• src/gromacs/restraint/restraintmdmodule.cpp