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IMDSimBlocking Class Reference

A single-threaded implementation of the interactive MD coordinate/force update communication loop. More...

#include <IMDSimBlocking.h>

Inheritance diagram for IMDSimBlocking:

List of all members.

Public Methods
	IMDSimBlocking (const char *, int)
	initialize with host and port. More...
virtual	~IMDSimBlocking ()
virtual void	update ()
	Check for available data from the socket. More...
virtual void	get_next_ts (float , IMDEnergies )
	Fetch last received coordinates and energies. Ask for both at the same time so that they at least have a chance of being in sync with each other. More...
virtual void	send_forces (int, int , float )
virtual void	pause ()
virtual void	unpause ()
virtual void	detach ()
virtual void	kill ()
virtual void	set_transrate (int)

Detailed Description

A single-threaded implementation of the interactive MD coordinate/force update communication loop.

Definition at line 29 of file IMDSimBlocking.h.

Constructor & Destructor Documentation

IMDSimBlocking::IMDSimBlocking ( const char * ,

int

)

initialize with host and port.

Definition at line 28 of file IMDSimBlocking.C.
References NULL.

IMDSimBlocking::~IMDSimBlocking ( ) [virtual]

Definition at line 33 of file IMDSimBlocking.C.

Member Function Documentation

void IMDSimBlocking::detach ( ) [virtual]

Reimplemented from IMDSim.
Definition at line 123 of file IMDSimBlocking.C.
References IMDSim::disconnect, imd_disconnect, IMDSim::IMDOFFLINE, IMDSim::isConnected, IMDSim::simstate, and IMDSim::sock.

void IMDSimBlocking::get_next_ts ( float * ,

IMDEnergies *

) [virtual]

Fetch last received coordinates and energies. Ask for both at the same time so that they at least have a chance of being in sync with each other.

Implements IMDSim.
Definition at line 89 of file IMDSimBlocking.C.
References IMDSim::new_coords_ready, IMDSim::numcoords, and IMDSim::swap4_aligned.

void IMDSimBlocking::kill ( ) [virtual]

Reimplemented from IMDSim.
Definition at line 131 of file IMDSimBlocking.C.
References IMDSim::disconnect, imd_kill, IMDSim::IMDOFFLINE, IMDSim::isConnected, IMDSim::simstate, and IMDSim::sock.

void IMDSimBlocking::pause ( ) [virtual]

Reimplemented from IMDSim.
Definition at line 109 of file IMDSimBlocking.C.
References IMDSim::getSimState, imd_pause, IMDSim::IMDOFFLINE, IMDSim::IMDRUNNING, IMDSim::isConnected, IMDSim::simstate, and IMDSim::sock.

void IMDSimBlocking::send_forces ( int ,

int * ,

float *

) [virtual]

Implements IMDSim.
Definition at line 96 of file IMDSimBlocking.C.
References IMDSim::disconnect, imd_send_mdcomm, IMDSim::isConnected, num, IMDSim::sock, and IMDSim::swap4_aligned.

void IMDSimBlocking::set_transrate ( int ) [virtual]

Reimplemented from IMDSim.
Definition at line 139 of file IMDSimBlocking.C.
References imd_trate, IMDSim::isConnected, and IMDSim::sock.

void IMDSimBlocking::unpause ( ) [virtual]

Reimplemented from IMDSim.
Definition at line 116 of file IMDSimBlocking.C.
References IMDSim::getSimState, imd_pause, IMDSim::IMDPAUSED, IMDSim::IMDRUNNING, IMDSim::isConnected, IMDSim::simstate, and IMDSim::sock.

void IMDSimBlocking::update ( ) [virtual]

Check for available data from the socket.

Reimplemented from IMDSim.
Definition at line 37 of file IMDSimBlocking.C.
References IMDSim::disconnect, IMD_ENERGIES, IMD_FCOORDS, IMD_IOERROR, IMD_MDCOMM, imd_recv_header, IMDType, IMDSim::isConnected, length, IMDSim::sock, and vmdsock_selread.

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

Generated on Thu Oct 30 02:47:07 2025 for VMD (current) by

IMDSimBlocking Class Reference

Public Methods

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation