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IMDMgr Class Reference

High level interactive MD simulation management and update management. More...

#include <IMDMgr.h>

Inheritance diagram for IMDMgr:

List of all members.

Public Methods
	IMDMgr (VMDApp *)
	~IMDMgr ()
void	set_trans_rate (int)
int	get_trans_rate () const
void	set_keep_rate (int)
int	get_keep_rate () const
const char *	gethost () const
	Get the name of the remote host, or NULL if none was found. More...
int	getport () const
int	connected ()
Molecule *	get_imdmol ()
	XXX should be const Molecule *. More...
int	connect (Molecule *, const char *, int)
	Connect to interactive simulation and return whether successful. More...
int	send_forces (int, const int *, const float *)
	Send forces to remote simulation. More...
void	pause ()
void	unpause ()
void	togglepause ()
void	detach ()
void	kill ()
int	check_event ()
	check for an event, and queue it if found. Return TRUE if an event was generated. More...
int	act_on_command (int, Command *)
	update the display due to a command being executed. Return whether any action was taken on this command. Arguments are the command type, command object, and the success of the command (T or F). More...

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Detailed Description

High level interactive MD simulation management and update management.

Definition at line 31 of file IMDMgr.h.

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Constructor & Destructor Documentation

IMDMgr::IMDMgr (  VMDApp *    )

Definition at line 29 of file IMDMgr.C. References Command::MOL_DEL, NULL, and UIObject::want_command.

IMDMgr::~IMDMgr (    )

Definition at line 42 of file IMDMgr.C. References detach.

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Member Function Documentation

int IMDMgr::act_on_command (  int    type, Command *    cmd )  [virtual]

update the display due to a command being executed. Return whether any action was taken on this command. Arguments are the command type, command object, and the success of the command (T or F). Reimplemented from UIObject. Definition at line 174 of file IMDMgr.C. References detach, Command::MOL_DEL, and NULL.

int IMDMgr::check_event (  void    )  [virtual]

check for an event, and queue it if found. Return TRUE if an event was generated. Reimplemented from UIObject. Definition at line 131 of file IMDMgr.C. References DrawMolecule::append_frame, detach, IMDEnergies::Eangle, IMDEnergies::Ebond, IMDEnergies::Edihe, IMDEnergies::Eelec, IMDEnergies::Eimpr, Timestep::energy, IMDEnergies::Epot, IMDEnergies::Etot, IMDEnergies::Evdw, DrawMolecule::force_recalc, DrawMolecule::get_last_frame, IMDSim::get_next_ts, BaseMolecule::id, IMDSim::isConnected, DrawMolItem::MOL_REGEN, BaseMolecule::nAtoms, IMDSim::next_ts_available, DrawMolecule::numframes, Timestep::pos, UIObject::runcommand, IMDEnergies::T, Timestep::timesteps, TSE_ANGLE, TSE_BOND, TSE_COUL, TSE_DIHE, TSE_HBOND, TSE_IMPR, TSE_KE, TSE_PE, TSE_TEMP, TSE_TOTAL, TSE_VDW, IMDEnergies::tstep, and IMDSim::update.

int IMDMgr::connect (  Molecule *   , const char *   , int    )

Connect to interactive simulation and return whether successful. Definition at line 49 of file IMDMgr.C. References IMDSim::isConnected, and stringdup. Referenced by VMDApp::imd_connect.

int IMDMgr::connected (    )  [inline]

Definition at line 45 of file IMDMgr.h. Referenced by imdconnect, and text_cmd_imd.

void IMDMgr::detach (    )

Definition at line 90 of file IMDMgr.C. References IMDSim::detach, and NULL. Referenced by act_on_command, check_event, detach, VMDApp::imd_disconnect, text_cmd_imd, and ~IMDMgr.

Molecule* IMDMgr::get_imdmol (    )  [inline]

XXX should be const Molecule *. Definition at line 48 of file IMDMgr.h. Referenced by VMDApp::imd_connected, and VMDApp::imd_disconnect.

int IMDMgr::get_keep_rate (    )  const [inline]

Definition at line 40 of file IMDMgr.h. Referenced by keep.

int IMDMgr::get_trans_rate (    )  const [inline]

Definition at line 37 of file IMDMgr.h. Referenced by transfer.

const char* IMDMgr::gethost (    )  const [inline]

Get the name of the remote host, or NULL if none was found. Definition at line 43 of file IMDMgr.h. Referenced by text_cmd_imd.

int IMDMgr::getport (    )  const [inline]

Definition at line 44 of file IMDMgr.h. Referenced by text_cmd_imd.

void IMDMgr::kill (    )

Definition at line 97 of file IMDMgr.C. References IMDSim::kill, and NULL. Referenced by kill, and text_cmd_imd.

void IMDMgr::pause (    )

Definition at line 73 of file IMDMgr.C. References IMDSim::pause. Referenced by text_cmd_imd.

int IMDMgr::send_forces (  int   , const int *   , const float *    )

Send forces to remote simulation. Definition at line 104 of file IMDMgr.C. References IMDSim::send_forces. Referenced by VMDApp::imd_sendforces.

void IMDMgr::set_keep_rate (  int    )

Definition at line 125 of file IMDMgr.C. Referenced by keep, and text_cmd_imd.

void IMDMgr::set_trans_rate (  int    )

Definition at line 118 of file IMDMgr.C. References IMDSim::set_transrate. Referenced by text_cmd_imd, and transfer.

void IMDMgr::togglepause (    )

Definition at line 81 of file IMDMgr.C. References IMDSim::getSimState, IMDSim::IMDPAUSED, IMDSim::IMDRUNNING, IMDSim::pause, and IMDSim::unpause. Referenced by pause, and text_cmd_imd.

void IMDMgr::unpause (    )

Definition at line 77 of file IMDMgr.C. References IMDSim::unpause. Referenced by text_cmd_imd.

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

• IMDMgr.h
• IMDMgr.C

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