gmx::MembedHolder Class Reference

#include <gromacs/mdrun/membedholder.h>

Description

Membed SimulatorBuilder parameter type.

Does not (yet) encapsulate ownership semantics of resources. Simulator is not (necessarily) granted ownership of resources. Client is responsible for maintaining the validity of resources for the life time of the Simulator, then for cleaning up those resources.

Public Member Functions
	MembedHolder (int nfile, const t_filenm fnm[])
	Build holder from input information.
	MembedHolder (MembedHolder &&holder) noexcept
	Move is possible.
MembedHolder &	operator= (MembedHolder &&holder) noexcept
	Move assignment is possible.
	MembedHolder (const MembedHolder &)=delete
	Copy is not allowed.
MembedHolder &	operator= (const MembedHolder &)=delete
	Copy assignment is not allowed.
bool	doMembed () const
	Get information about membed being used.
void	initializeMembed (FILE *fplog, int nfile, const t_filenm fnm[], gmx_mtop_t *mtop, t_inputrec *inputrec, t_state *state, t_commrec *cr, real *cpt)
	Fully initialize underlying datastructure. More...
gmx_membed_t *	membed ()
	Get handle to membed object.

Member Function Documentation

void gmx::MembedHolder::initializeMembed	(	FILE *	fplog,
		int	nfile,
		const t_filenm	fnm[],
		gmx_mtop_t *	mtop,
		t_inputrec *	inputrec,
		t_state *	state,
		t_commrec *	cr,
		real *	cpt
	)

Fully initialize underlying datastructure.

Parameters

[in]	fplog	Handle to log file.
[in]	nfile	How many input files are there.
[in]	fnm	Input file collection datastructure.
[in,out]	mtop	Handle to mtop, can be modified.
[in,out]	inputrec	Handle to inputrec, can be modified.
[in,out]	state	Simulation state information, can be modified.
[in,out]	cr	Communication information.
[out]	cpt	Some kind of checkpoint information.

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

• src/gromacs/mdrun/membedholder.h
• src/gromacs/mdrun/membedholder.cpp