version 1.113 | version 1.114 |
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| |
Tcl_Interp *interp, int argc, char *argv[]) { | Tcl_Interp *interp, int argc, char *argv[]) { |
ScriptTcl *script = (ScriptTcl *)clientData; | ScriptTcl *script = (ScriptTcl *)clientData; |
script->initcheck(); | script->initcheck(); |
| |
| if ( argc == 1 ) { // get param value |
| char buf[MAX_SCRIPT_PARAM_SIZE]; |
| SimParameters *simParams = Node::Object()->simParameters; |
| char *result = simParams->getfromparseopts("structure",buf); |
| if ( result ) { |
| Tcl_SetResult(interp, result,TCL_VOLATILE); |
| return TCL_OK; |
| } else { |
| Tcl_SetResult(interp,"unknown structure",TCL_VOLATILE); |
| return TCL_ERROR; |
| } |
| } |
| |
int ok = 0; | int ok = 0; |
if (argc == 2) ok = 1; | if (argc == 2) ok = 1; |
if (argc == 4 && ! strcmp(argv[2],"pdb")) ok = 1; | if (argc == 4 && ! strcmp(argv[2],"pdb")) ok = 1; |
| |
iout << "TCL: Reloading molecular structure from file " << argv[1]; | iout << "TCL: Reloading molecular structure from file " << argv[1]; |
if ( argc == 4 ) iout << " and pdb file " << argv[3]; | if ( argc == 4 ) iout << " and pdb file " << argv[3]; |
iout << "\n" << endi; | iout << "\n" << endi; |
| script->config->find("structure")->set(argv[1]); |
| if (argc == 4) script->config->find("coordinates")->set(argv[3]); |
Node::Object()->reloadStructure(argv[1], (argc == 4) ? argv[3] : 0); | Node::Object()->reloadStructure(argv[1], (argc == 4) ? argv[3] : 0); |
| |
script->barrier(); | script->barrier(); |