Changeset 5029 for branches/uq/gui/scripts/analyzer.tcl
- Timestamp:
- Feb 17, 2015, 5:49:36 PM (10 years ago)
- File:
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- 1 edited
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branches/uq/gui/scripts/analyzer.tcl
r4512 r5029 1 # -*- mode: tcl; indent-tabs-mode: nil -*- 1 # -*- mode: tcl; indent-tabs-mode: nil -*- 2 2 # ---------------------------------------------------------------------- 3 3 # COMPONENT: analyzer - output area for Rappture … … 50 50 itk_option define -notebookpage notebookPage NotebookPage "" 51 51 52 constructor {tool args} { 53 # defined below 54 } 55 destructor { 56 # defined below 52 constructor {tool args} { 53 # defined below 54 } 55 destructor { 56 # defined below 57 57 } 58 58 … … 103 103 itcl::body Rappture::Analyzer::constructor {tool args} { 104 104 set _tool $tool 105 105 puts "Analyzer init" 106 106 # use this to store all simulation results 107 107 set _resultset [Rappture::ResultSet ::\#auto] … … 391 391 # ---------------------------------------------------------------------- 392 392 itcl::body Rappture::Analyzer::simulate {args} { 393 puts "simulate $args" 393 394 if {$args == "-ifneeded"} { 394 395 # check to see if simulation is really needed … … 401 402 } 402 403 set args "" 403 } 404 404 } 405 puts "simulation needed" 405 406 # simulation is needed -- go to simulation page 406 407 $itk_component(notebook) current simulate … … 423 424 424 425 # execute the job 426 puts "$_tool run $args" 427 425 428 foreach {status result} [eval $_tool run $args] break 426 429 … … 443 446 if {$status != 0} { 444 447 $itk_component(runinfo) configure -state normal 445 # Don't erase program error messages. 448 # Don't erase program error messages. 446 449 # $itk_component(runinfo) delete 1.0 end 447 450 $itk_component(runinfo) insert end "\n\nProblem launching job:\n\n" text … … 585 588 $popup activate $widget below 586 589 } else { 587 download now $widget 590 download now $widget 588 591 } 589 592 } else { … … 1282 1285 set frame ${sequence}.element($frameNum) 1283 1286 $xmlobj put ${frame}.index $frameNum 1284 1287 1285 1288 set molecule ${frame}.structure.components.molecule 1286 1289 $xmlobj put ${molecule}.pdb $contents … … 1325 1328 set frame ${sequence}.element($frameNum) 1326 1329 $xmlobj put ${frame}.index $frameNum 1327 1330 1328 1331 set molecule ${frame}.structure.components.molecule 1329 1332 $xmlobj put ${molecule}.lammps $frameContents 1330 1333 $xmlobj put ${molecule}.lammpstypemap $typemap 1331 1334 1332 1335 incr frameNum 1333 1336 set frameContents "" … … 1345 1348 set frame ${sequence}.element($frameNum) 1346 1349 $xmlobj put ${frame}.index $frameNum 1347 1350 1348 1351 set molecule ${frame}.structure.components.molecule 1349 1352 $xmlobj put ${molecule}.lammps $frameContents … … 1355 1358 # USAGE: _trajToSequence <xmlobj> ?<path>? 1356 1359 # 1357 # Check for PDB and LAMMPS trajectories in molecule data and rewrite 1358 # the individual models as a sequence of molecules. Used internally 1360 # Check for PDB and LAMMPS trajectories in molecule data and rewrite 1361 # the individual models as a sequence of molecules. Used internally 1359 1362 # to detect any molecule output elements that contain trajectory data. 1360 1363 # Trajectories will be converted into sequences of individual molecules. 1361 1364 # All other elements will be unaffected. Scans the entire xml tree if a 1362 # starting path is not specified. 1365 # starting path is not specified. 1363 1366 # 1364 1367 # ----------------------------------------------------------------------
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