#include <ScriptTcl.h>
Public Member Functions | |
| ScriptTcl () | |
| ~ScriptTcl () | |
| void | load (char *scriptFile) |
| void | run (char *scriptFile) |
| void | measure (Vector *) |
Friends | |
| class | Controller |
| class | GlobalMasterTcl |
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Definition at line 772 of file ScriptTcl.C. References DebugM, register_cb(), scriptBarrierTag, and tcl_vector_math_init(). 00772 : scriptBarrier(scriptBarrierTag) {
00773 DebugM(3,"Constructing ScriptTcl\n");
00774 #ifdef NAMD_TCL
00775 interp = 0;
00776 callbackname = 0;
00777 #endif
00778 state = new NamdState;
00779 barrierStep = 0;
00780
00781 molfile_dcdplugin_init();
00782 molfile_dcdplugin_register(NULL, register_cb);
00783
00784 runWasCalled = 0;
00785
00786 #ifdef NAMD_TCL
00787 config = new ConfigList;
00788
00789 // Create interpreter
00790 interp = Tcl_CreateInterp();
00791 tcl_vector_math_init(interp);
00792 Tcl_CreateCommand(interp, "exit", Tcl_exit,
00793 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00794 Tcl_CreateCommand(interp, "abort", Tcl_abort,
00795 (ClientData) NULL, (Tcl_CmdDeleteProc *) NULL);
00796 Tcl_CreateCommand(interp, "print", Tcl_print,
00797 (ClientData) NULL, (Tcl_CmdDeleteProc *) NULL);
00798 Tcl_CreateCommand(interp, "unknown", Tcl_config,
00799 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00800 Tcl_CreateCommand(interp, "param", Tcl_config,
00801 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00802 Tcl_CreateCommand(interp, "run", Tcl_run,
00803 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00804 Tcl_CreateCommand(interp, "minimize", Tcl_minimize,
00805 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00806 Tcl_CreateCommand(interp, "move", Tcl_move,
00807 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00808 Tcl_CreateCommand(interp, "moveallby", Tcl_moveallby,
00809 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00810 Tcl_CreateCommand(interp, "output", Tcl_output,
00811 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00812 Tcl_CreateCommand(interp, "measure", Tcl_measure,
00813 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00814 Tcl_CreateCommand(interp, "checkpoint", Tcl_checkpoint,
00815 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00816 Tcl_CreateCommand(interp, "revert", Tcl_revert,
00817 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00818 Tcl_CreateCommand(interp, "reinitvels", Tcl_reinitvels,
00819 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00820 Tcl_CreateCommand(interp, "rescalevels", Tcl_rescalevels,
00821 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00822 Tcl_CreateCommand(interp, "reinitatoms", Tcl_reinitatoms,
00823 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00824 Tcl_CreateCommand(interp, "callback", Tcl_callback,
00825 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00826 Tcl_CreateCommand(interp, "coorfile", Tcl_coorfile,
00827 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00828 Tcl_CreateCommand(interp, "dumpbench", Tcl_dumpbench,
00829 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00830 Tcl_CreateObjCommand(interp, "consForceConfig", Tcl_consForceConfig,
00831 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00832 Tcl_CreateCommand(interp, "reloadCharges", Tcl_reloadCharges,
00833 (ClientData) this, (Tcl_CmdDeleteProc *) NULL);
00834 #endif
00835
00836 }
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Definition at line 882 of file ScriptTcl.C. References DebugM. 00882 {
00883 DebugM(3,"Destructing ScriptTcl\n");
00884 #ifdef NAMD_TCL
00885 if ( interp ) Tcl_DeleteInterp(interp);
00886 delete [] callbackname;
00887 #endif
00888
00889 molfile_dcdplugin_fini();
00890 }
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Definition at line 838 of file ScriptTcl.C. References NAMD_bug(), and NAMD_die(). Referenced by after_backend_init(). 00838 {
00839
00840 #ifdef NAMD_TCL
00841 int code = Tcl_EvalFile(interp,scriptFile);
00842 const char *result = Tcl_GetStringResult(interp);
00843 if (*result != 0) CkPrintf("TCL: %s\n",result);
00844 if (code != TCL_OK) {
00845 const char *errorInfo = Tcl_GetVar(interp,"errorInfo",0);
00846 NAMD_die(errorInfo);
00847 }
00848 #else
00849 NAMD_bug("ScriptTcl::load called without Tcl.");
00850 #endif
00851
00852 }
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Definition at line 447 of file ScriptTcl.C. References Node::coords, Measure::createCommands(), Measure::deleteCommands(), and Node::Object(). Referenced by Output::coordinate(). 00447 {
00448 Measure::createCommands(interp);
00449 Node::Object()->coords = c;
00450 measure_result = Tcl_Eval(interp,measure_command);
00451 Node::Object()->coords = 0;
00452 Measure::deleteCommands(interp);
00453 }
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Definition at line 854 of file ScriptTcl.C. References SimParameters::minimizeCGOn, NAMD_die(), Node::Object(), SCRIPT_END, SCRIPT_MINIMIZE, SCRIPT_RUN, Node::simParameters, and simParams. Referenced by after_backend_init(). 00854 {
00855
00856 #ifdef NAMD_TCL
00857 int code = Tcl_EvalFile(interp,scriptFile);
00858 const char *result = Tcl_GetStringResult(interp);
00859 if (*result != 0) CkPrintf("TCL: %s\n",result);
00860 if (code != TCL_OK) {
00861 const char *errorInfo = Tcl_GetVar(interp,"errorInfo",0);
00862 NAMD_die(errorInfo);
00863 }
00864
00865 #else
00866 if ( NULL == scriptFile || NULL == (config = new ConfigList(scriptFile)) ) {
00867 NAMD_die("Simulation config file is empty.");
00868 }
00869 #endif
00870
00871 if (runWasCalled == 0) {
00872 initcheck();
00873 SimParameters *simParams = Node::Object()->simParameters;
00874 if ( simParams->minimizeCGOn ) runController(SCRIPT_MINIMIZE);
00875 else runController(SCRIPT_RUN);
00876 }
00877
00878 runController(SCRIPT_END);
00879
00880 }
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Definition at line 48 of file ScriptTcl.h. |
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Definition at line 49 of file ScriptTcl.h. |
1.3.9.1