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py_imd.C File Reference

#include "py_commands.h"
#include "CmdIMD.h"
#include "CommandQueue.h"
#include "VMDApp.h"
#include "MoleculeList.h"
#include "IMDMgr.h"

Go to the source code of this file.

Functions
PyObject *	imdconnect (PyObject *self, PyObject *args, PyObject *keywds)
PyObject *	pause (PyObject *self, PyObject *args)
PyObject *	detach (PyObject *self, PyObject *args)
PyObject *	kill (PyObject *self, PyObject *args)
PyObject *	transfer (PyObject *self, PyObject *args, PyObject *keywds)
PyObject *	keep (PyObject *self, PyObject *args, PyObject *keywds)
PyObject *	copyunitcell (PyObject *self, PyObject *args)
PyObject *	imdconnected (PyObject *self, PyObject *args)
void	initimd ()
Variables
PyMethodDef	methods []

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Function Documentation

PyObject* copyunitcell (  PyObject *    self, PyObject *    args )  [static]

Definition at line 136 of file py_imd.C. References VMDApp::commandQueue, CmdIMDCopyUnitCell::COPYCELL_OFF, CmdIMDCopyUnitCell::COPYCELL_ON, get_vmdapp, VMDApp::imdMgr, NULL, CommandQueue::runcommand, and IMDMgr::set_copyunitcell.

PyObject* detach (  PyObject *    self, PyObject *    args )  [static]

Definition at line 74 of file py_imd.C. References VMDApp::commandQueue, CmdIMDSim::DETACH, IMDMgr::detach, get_vmdapp, VMDApp::imdMgr, NULL, and CommandQueue::runcommand.

PyObject* imdconnect (  PyObject *    self, PyObject *    args, PyObject *    keywds )  [static]

Definition at line 32 of file py_imd.C. References IMDMgr::connected, get_vmdapp, BaseMolecule::id, VMDApp::imd_connect, VMDApp::imdMgr, VMDApp::moleculeList, NULL, and MoleculeList::top.

PyObject* imdconnected (  PyObject *    self, PyObject *    args )  [static]

Definition at line 153 of file py_imd.C. References IMDMgr::connected, get_vmdapp, VMDApp::imdMgr, and NULL.

void initimd (    )

Definition at line 188 of file py_imd.C. References methods.

PyObject* keep (  PyObject *    self, PyObject *    args, PyObject *    keywds )  [static]

Definition at line 116 of file py_imd.C. References VMDApp::commandQueue, IMDMgr::get_keep_rate, get_vmdapp, VMDApp::imdMgr, CmdIMDRate::KEEP, NULL, CommandQueue::runcommand, and IMDMgr::set_keep_rate.

PyObject* kill (  PyObject *    self, PyObject *    args )  [static]

Definition at line 85 of file py_imd.C. References VMDApp::commandQueue, get_vmdapp, VMDApp::imdMgr, CmdIMDSim::KILL, IMDMgr::kill, NULL, and CommandQueue::runcommand.

PyObject* pause (  PyObject *    self, PyObject *    args )  [static]

Definition at line 63 of file py_imd.C. References VMDApp::commandQueue, get_vmdapp, VMDApp::imdMgr, NULL, CmdIMDSim::PAUSE_TOGGLE, CommandQueue::runcommand, and IMDMgr::togglepause.

PyObject* transfer (  PyObject *    self, PyObject *    args, PyObject *    keywds )  [static]

Definition at line 97 of file py_imd.C. References VMDApp::commandQueue, IMDMgr::get_trans_rate, get_vmdapp, VMDApp::imdMgr, NULL, CommandQueue::runcommand, IMDMgr::set_trans_rate, and CmdIMDRate::TRANSFER.

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Variable Documentation

PyMethodDef methods[] [static]

Initial value: { {(char *)"connected", (vmdPyMethod)imdconnected, METH_VARARGS, (char *)"connected() -- True/False" }, {(char *)"connect", (PyCFunction)imdconnect, METH_VARARGS | METH_KEYWORDS, (char *)"connect(host, port) -- establish IMD connection simulation on host:port"}, {(char *)"pause", (vmdPyMethod)pause, METH_VARARGS, (char *)"pause() -- pause a running IMD simulation"}, {(char *)"detach", (vmdPyMethod)detach, METH_VARARGS, (char *)"detach() -- detach from a running IMD simulation"}, {(char *)"kill", (vmdPyMethod)kill, METH_VARARGS, (char *)"kill() -- halt a running IMD simulation (also detaches)"}, {(char *)"transfer", (PyCFunction)transfer,METH_VARARGS | METH_KEYWORDS, (char *)"transfer(rate = -1) -- set/get how often timesteps are sent"}, {(char *)"keep", (PyCFunction)keep, METH_VARARGS | METH_KEYWORDS, (char *)"keep(rate = -1) -- set/get how often timesteps are saved "}, {(char *)"copyunitcell", (PyCFunction)copyunitcell, METH_VARARGS, (char *)"copyunitcell(True/False) -- copy unitcell information from previous frame"}, {NULL, NULL} } Definition at line 160 of file py_imd.C. Referenced by initimd.

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