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gmx::MembedHolder Class Reference

#include <gromacs/mdrun/membedholder.h>


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.
MembedHolderoperator= (MembedHolder &&holder) noexcept
 Move assignment is possible.
 MembedHolder (const MembedHolder &)=delete
 Copy is not allowed.
MembedHolderoperator= (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.

[in]fplogHandle to log file.
[in]nfileHow many input files are there.
[in]fnmInput file collection datastructure.
[in,out]mtopHandle to mtop, can be modified.
[in,out]inputrecHandle to inputrec, can be modified.
[in,out]stateSimulation state information, can be modified.
[in,out]crCommunication information.
[out]cptSome kind of checkpoint information.

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