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analyzer.tcl @ 6705

Last change on this file since 6705 was 6705, checked in by clarksm, 6 years ago
Enable "ionhelper" to execute jobs and immediately put results in cache. This includes reporting run.xml location with absolute path.
File size: 78.2 KB

Line
1	# -- mode: tcl; indent-tabs-mode: nil --
2	# ----------------------------------------------------------------------
3	# COMPONENT: analyzer - output area for Rappture
4	#
5	# This widget acts as the output side of a Rappture application.
6	# When the input has changed, it displays a Simulate button that
7	# launches the simulation. When a simulation is running, this
8	# area shows status. When it is finished, the results appear
9	# in place of the button, according to the specs in the <analyze>
10	# XML data.
11	# ======================================================================
12	# AUTHOR: Michael McLennan, Purdue University
13	# Copyright (c) 2004-2012 HUBzero Foundation, LLC
14	#
15	# See the file "license.terms" for information on usage and
16	# redistribution of this file, and for a DISCLAIMER OF ALL WARRANTIES.
17	# ======================================================================
18	package require Itk
19
20	option add *Analyzer.width 3.5i widgetDefault
21	option add *Analyzer.height 4i widgetDefault
22	option add *Analyzer.simControl "auto" widgetDefault
23	option add *Analyzer.simControlBackground "" widgetDefault
24	option add *Analyzer.simControlOutline gray widgetDefault
25	option add *Analyzer.simControlActiveBackground #ffffcc widgetDefault
26	option add *Analyzer.simControlActiveOutline black widgetDefault
27	option add *Analyzer.notebookpage "about" widgetDefault
28
29	option add *Analyzer.font \
30	--helvetica-medium-r-normal--12-* widgetDefault
31	option add *Analyzer.codeFont \
32	--courier-medium-r-normal--12-* widgetDefault
33	option add *Analyzer.textFont \
34	--helvetica-medium-r-normal--12-* widgetDefault
35	option add *Analyzer.boldTextFont \
36	--helvetica-bold-r-normal--12-* widgetDefault
37
38	itcl::class Rappture::Analyzer {
39	inherit itk::Widget
40
41	itk_option define -codefont codeFont Font ""
42	itk_option define -textfont textFont Font ""
43	itk_option define -boldtextfont boldTextFont Font ""
44	itk_option define -simcontrol simControl SimControl ""
45	itk_option define -simcontroloutline simControlOutline Background ""
46	itk_option define -simcontrolbackground simControlBackground Background ""
47	itk_option define -simcontrolactiveoutline simControlActiveOutline Background ""
48	itk_option define -simcontrolactivebackground simControlActiveBackground Background ""
49	itk_option define -holdwindow holdWindow HoldWindow ""
50	itk_option define -notebookpage notebookPage NotebookPage ""
51
52	constructor {tool args} {
53	# defined below
54	}
55	destructor {
56	# defined below
57	}
58
59	public method simulate {args}
60	public method reset {{when -eventually}}
61	public method load {xmlobj}
62	public method reload { fileName }
63	public method clear {{xmlobj "all"}}
64	public method download {option args}
65	public method buildMenu { w url appName }
66
67	protected method _plot {args}
68	protected method _reorder {comps}
69	protected method _autoLabel {xmlobj path title cntVar}
70	protected method _fixResult {}
71	protected method _fixResultSet {args}
72	protected method _fixSize {}
73	protected method _fixSimControl {}
74	protected method _fixNotebook {}
75	protected method _simState {state args}
76	protected method _simLogError {message}
77	protected method _simLogOutput {message}
78	protected method _simOutput {message}
79	protected method _resultTooltip {}
80	protected method _isPdbTrajectory {data}
81	protected method _isLammpsTrajectory {data}
82	protected method _pdbToSequence {xmlobj path id child data}
83	protected method _lammpsToSequence {xmlobj path id child data}
84	protected method _trajToSequence {xmlobj {path ""}}
85	protected method _pop_uq_dialog {win}
86	protected method _setWaitVariable {state}
87	protected method _adjust_level {win}
88
89	private variable _done 0
90	private variable _tree ""
91	private variable _saved
92	private variable _name ""
93	private variable _revision 0; # Tool revision
94	private variable _tool "" ;# belongs to this tool
95	private variable _appName "" ;# Name of application
96	private variable _control "manual" ;# start mode
97	private variable _resultset "" ;# ResultSet object with all results
98	private variable _pages 0 ;# number of pages for result sets
99	private variable _label2page ;# maps output label => result set
100	private variable _label2desc ;# maps output label => description
101	private variable _label2item ;# maps output label => output.xxx item
102	private variable _lastlabel "" ;# label of last example loaded
103	private variable _plotlist "" ;# items currently being plotted
104	private variable _lastPlot
105	private variable _uq_active 0 ;# a UQ variables has been used
106	private variable _wait_uq 0
107	private common job ;# array var used for blt::bgexec jobs
108
109	private method BuildQuestionDialog { popup }
110	private method BuildSimulationTable { w }
111	private method Cancel {}
112	private method CheckSimsetDetails {}
113	private method CleanName { name }
114	private method CreateSharedPath { path }
115	private method EditSimset {}
116	private method ExportFile { src msgFile }
117	private method ExportURL { appName installdir }
118	private method FindSimsetsForApp { appName }
119	private method GetSimset { name }
120	private method InstallSharedFile { installdir file }
121	private method LoadSimulations { runfiles }
122	private method Ok {}
123	private method OverwriteSaveFile {}
124	private method PostMenu { menu }
125	private method ReadSimsetFile { fileName }
126	private method Save {}
127	private method SaveSimulations {}
128	private method SelectSimsetForDeletion {}
129	private method SelectSimsetForLoading {}
130	private method SelectSimsetNameAndSave {}
131	private method SelectSimsetToShare {}
132	private method WriteSimsetFile { appName fileName share }
133	}
134
135	itk::usual Analyzer {
136	keep -background -cursor foreground -font
137	}
138
139	# ----------------------------------------------------------------------
140	# CONSTRUCTOR
141	# ----------------------------------------------------------------------
142	itcl::body Rappture::Analyzer::constructor {tool args} {
143	set _tool $tool
144	set _tree [blt::tree create]
145
146	# use this to store all simulation results
147	set _resultset [Rappture::ResultSet ::\#auto]
148	$_resultset notify add $this [itcl::code $this _fixResultSet]
149
150	# widget settings...
151	itk_option add hull.width hull.height
152	pack propagate $itk_component(hull) no
153
154	frame $itk_interior.simol -borderwidth 1 -relief flat
155	pack $itk_interior.simol -fill x
156
157	itk_component add simbg {
158	frame $itk_interior.simol.simbg -borderwidth 0
159	} {
160	usual
161	rename -background -simcontrolcolor simControlColor Color
162	}
163	pack $itk_component(simbg) -expand yes -fill both
164
165	set simtxt [string trim [$tool xml get tool.action.label]]
166	if {"" == $simtxt} {
167	set simtxt "Simulate"
168	}
169	itk_component add simulate {
170	button $itk_component(simbg).simulate -text $simtxt \
171	-command [itcl::code $this simulate]
172	} {
173	usual
174	rename -highlightbackground -simcontrolcolor simControlColor Color
175	}
176	pack $itk_component(simulate) -side left -padx 4 -pady 4
177
178	# BE CAREFUL: Shift focus when we click on "Simulate".
179	# This shifts focus away from input widgets and causes them to
180	# finalize and log any pending changes. A better way would be
181	# to have the "sync" operation finalize/sync, but this works
182	# for now.
183	bind $itk_component(simulate) <ButtonPress> {focus %W}
184
185	# if there's a hub url, then add "About" and "Questions" links
186	global rapptureInfo
187	if { $rapptureInfo(appName) == "" } {
188	set _appName [$_tool xml get "tool.id"]
189	} else {
190	set _appName $rapptureInfo(appName)
191	}
192	set num [$_tool xml get "tool.version.application.revision"]
193	if { $num == "" } {
194	set num 0
195	}
196	set _revision $num
197	set url [Rappture::Tool::resources -huburl]
198
199	itk_component add hubcntls {
200	frame $itk_component(simbg).hubcntls
201	} {
202	usual
203	rename -background -simcontrolcolor simControlColor Color
204	}
205	pack $itk_component(hubcntls) -side right -padx 4
206
207	itk_component add help {
208	menubutton $itk_component(hubcntls).help \
209	-image [Rappture::icon hamburger_menu] \
210	-highlightthickness 0 \
211	-menu $itk_component(hubcntls).help.menu
212	} {
213	usual
214	ignore -highlightthickness
215	rename -background -simcontrolcolor simControlColor Color
216	}
217	pack $itk_component(help) -side left
218	buildMenu $itk_component(help).menu $url $_appName
219
220	itk_component add simstatus {
221	text $itk_component(simbg).simstatus -borderwidth 0 \
222	-highlightthickness 0 -height 1 -width 1 -wrap none \
223	-state disabled
224	} {
225	usual
226	ignore -highlightthickness
227	rename -background -simcontrolcolor simControlColor Color
228	rename -font -textfont textFont Font
229	}
230	pack $itk_component(simstatus) -side left -expand yes -fill x
231
232	$itk_component(simstatus) tag configure popup \
233	-underline 1 -foreground blue
234
235	$itk_component(simstatus) tag bind popup \
236	<Enter> {%W configure -cursor center_ptr}
237	$itk_component(simstatus) tag bind popup \
238	<Leave> {%W configure -cursor ""}
239	$itk_component(simstatus) tag bind popup \
240	<ButtonPress> {after idle {Rappture::Tooltip::tooltip show %W}}
241
242
243	itk_component add notebook {
244	Rappture::Notebook $itk_interior.nb
245	}
246	pack $itk_interior.nb -expand yes -fill both
247
248	# ------------------------------------------------------------------
249	# ABOUT PAGE
250	# ------------------------------------------------------------------
251	set w [$itk_component(notebook) insert end about]
252
253	Rappture::Scroller $w.info -xscrollmode off -yscrollmode auto
254	pack $w.info -expand yes -fill both -padx 4 -pady 20
255	itk_component add toolinfo {
256	text $w.info.text -width 1 -height 1 -wrap word \
257	-borderwidth 0 -highlightthickness 0
258	} {
259	usual
260	ignore -borderwidth -relief
261	rename -font -textfont textFont Font
262	}
263	$w.info contents $w.info.text
264
265	# ------------------------------------------------------------------
266	# SIMULATION PAGE
267	# ------------------------------------------------------------------
268	set w [$itk_component(notebook) insert end simulate]
269	frame $w.cntls
270	pack $w.cntls -side bottom -fill x -pady 12
271	frame $w.cntls.sep -background black -height 1
272	pack $w.cntls.sep -side top -fill x
273
274	itk_component add abort {
275	button $w.cntls.abort -text "Abort" \
276	-command [itcl::code $_tool abort]
277	}
278	pack $itk_component(abort) -side left -expand yes -padx 4 -pady 4
279
280	Rappture::Scroller $w.info -xscrollmode auto -yscrollmode auto
281	pack $w.info -expand yes -fill both -padx 4 -pady 4
282	itk_component add runinfo {
283	text $w.info.text -width 1 -height 1 -wrap none \
284	-borderwidth 0 -highlightthickness 0 \
285	-state disabled
286	} {
287	usual
288	ignore -borderwidth -relief
289	rename -font -codefont codeFont Font
290	}
291	$w.info contents $w.info.text
292
293	itk_component add progress {
294	Rappture::Progress $w.progress
295	}
296
297	# ------------------------------------------------------------------
298	# ANALYZE PAGE
299	# ------------------------------------------------------------------
300	set w [$itk_component(notebook) insert end analyze]
301
302	frame $w.top
303	pack $w.top -side top -fill x -pady 8
304	label $w.top.l -text "Result:" -font $itk_option(-font)
305	pack $w.top.l -side left
306
307	itk_component add viewselector {
308	Rappture::Combobox $w.top.sel -width 10 -editable no
309	} {
310	usual
311	rename -font -textfont textFont Font
312	}
313	pack $itk_component(viewselector) -side left -expand yes -fill x
314	bind $itk_component(viewselector) <<Value>> [itcl::code $this _fixResult]
315	bind $itk_component(viewselector) <Enter> \
316	[itcl::code $this download coming]
317
318	Rappture::Tooltip::for $itk_component(viewselector) \
319	"@[itcl::code $this _resultTooltip]"
320
321	$itk_component(viewselector) choices insert end \
322	--- "---"
323
324	itk_component add download {
325	button $w.top.dl -image [Rappture::icon download] -anchor e \
326	-borderwidth 1 -relief flat -overrelief raised \
327	-command [itcl::code $this download start $w.top.dl]
328	}
329	pack $itk_component(download) -side right -padx {4 0}
330	bind $itk_component(download) <Enter> \
331	[itcl::code $this download coming]
332
333	$itk_component(viewselector) choices insert end \
334	@download [Rappture::filexfer::label download]
335
336	if {[Rappture::filexfer::enabled]} {
337	Rappture::Tooltip::for $itk_component(download) "Downloads the current result to a new web browser window on your desktop. From there, you can easily print or save results.
338
339	NOTE: Your web browser must allow pop-ups from this site. If your output does not appear, look for a 'pop-up blocked' message and enable pop-ups."
340	} else {
341	Rappture::Tooltip::for $itk_component(download) "Saves the current result to a file on your desktop."
342	}
343
344	itk_component add results {
345	Rappture::Panes $w.pane \
346	-sashwidth 2 -sashrelief solid -sashpadding {2 0}
347	} {
348	usual
349	ignore -sashwidth -sashrelief -sashpadding
350	}
351	pack $itk_component(results) -expand yes -fill both
352	set f [$itk_component(results) pane 0]
353
354	itk_component add resultpages {
355	Rappture::Notebook $f.nb
356	}
357	pack $itk_component(resultpages) -expand yes -fill both
358	set f [$itk_component(results) insert end -fraction 0.1]
359	itk_component add resultselector {
360	Rappture::ResultSelector $f.rsel -resultset $_resultset \
361	-settingscommand [itcl::code $this _plot]
362	}
363	pack $itk_component(resultselector) -expand yes -fill both
364	bind $itk_component(resultselector) <<Layout>> [itcl::code $this _fixSize]
365	bind $itk_component(results) <Configure> [itcl::code $this _fixSize]
366
367	eval itk_initialize $args
368
369	$itk_component(runinfo) tag configure ERROR -foreground red
370	$itk_component(runinfo) tag configure text -font $itk_option(-textfont)
371
372	#
373	# Load up tool info on the first page.
374	#
375	$itk_component(toolinfo) tag configure title \
376	-font $itk_option(-boldtextfont)
377
378	set mesg [string trim [$tool xml get tool.title]]
379	if {"" != $mesg} {
380	$itk_component(toolinfo) insert end $mesg title
381	$itk_component(toolinfo) insert end "\n\n"
382	}
383
384	set mesg [string trim [$tool xml get tool.about]]
385	if {"" != $mesg} {
386	$itk_component(toolinfo) insert end $mesg
387	}
388	$itk_component(toolinfo) configure -state disabled
389	$itk_component(notebook) current about
390
391	# tool can run on "manual" (default) or "auto"
392	set cntl [string trim [$tool xml get tool.control]]
393	if {"" == $cntl} {
394	set cntl [string trim [$tool xml get tool.control.type]]
395	}
396	if {"" != $cntl} {
397	set _control $cntl
398	}
399
400	# reset everything to a clean state
401	reset
402	}
403
404	# ----------------------------------------------------------------------
405	# DESTRUCTOR
406	# ----------------------------------------------------------------------
407	itcl::body Rappture::Analyzer::destructor {} {
408	after cancel [itcl::code $this simulate]
409	$_resultset notify remove $this
410	itcl::delete object $_resultset
411	}
412
413	# ----------------------------------------------------------------------
414	# USAGE: simulate ?-ifneeded?
415	# USAGE: simulate ?<path1> <value1> <path2> <value2> ...?
416	#
417	# Kicks off the simulator by executing the tool.command associated
418	# with the tool. If any arguments are specified, they are used to
419	# set parameters for the simulation. While the simulation is running,
420	# it shows status. When the simulation is finished, it switches
421	# automatically to "analyze" mode and shows the results.
422	# ----------------------------------------------------------------------
423	itcl::body Rappture::Analyzer::simulate {args} {
424
425	set uq [$_tool get_uq -uq_type smolyak -uq_args 2]
426
427	# pop up UQ window
428	if {[$uq num_runs] > 1} {
429	set _uq_active 1
430	set status [$uq run_dialog $itk_component(simulate)]
431	if {$status == 0} {
432	# cancelled
433	return
434	}
435	lappend args -uq_type [$uq type]
436	lappend args -uq_args [$uq args]
437	# Need to put these UQ values into the driver file
438	# so the call to resultset::contains will be correct.
439	set _xml [$_tool xml object]
440	$_xml put uq.type.current [$uq type]
441	$_xml put uq.args.current [$uq args]
442	$_xml put uq.args.about.label "level"
443	$_xml put uq.args.about.description "Polynomial Degree of Smolyak GPC method."
444	}
445	#puts "simulate args=$args"
446
447	if {[lindex $args 0] == "-ifneeded"} {
448	# check to see if simulation is really needed
449	$_tool sync
450	if {[$_resultset contains [$_tool xml object]] &&
451	![string equal $_control "manual-resim"]} {
452	# not needed -- show results and return
453	$itk_component(notebook) current analyze
454	return
455	}
456	set args [lreplace $args 0 0]
457	}
458
459	# simulation is needed -- go to simulation page
460	$itk_component(notebook) current simulate
461
462	# no progress messages yet
463	pack forget $itk_component(progress)
464	lappend args -output [itcl::code $this _simOutput]
465	lappend args -stderr [itcl::code $this _simLogError]
466	# lappend args -stdout [itcl::code $this _simLogOutput]
467
468	_simState off
469	$itk_component(runinfo) configure -state normal
470	$itk_component(runinfo) delete 1.0 end
471	$itk_component(runinfo) insert end "Running simulation...\n\n" text
472	$itk_component(runinfo) configure -state disabled
473
474	# if the hold window is set, then put up a busy cursor
475	if {$itk_option(-holdwindow) != ""} {
476	blt::busy hold $itk_option(-holdwindow)
477	raise $itk_component(hull)
478	}
479
480	# execute the job
481	#puts "$_tool run $args"
482
483	foreach {status result} [eval $_tool run $args] break
484
485	# if job was aborted, then allow simulation again
486	if {$result == "ABORT"} {
487	_simState on "Aborted"
488	}
489
490	# load results from run.xml into analyzer
491	if {$status == 0 && $result != "ABORT"} {
492	set status [catch {load $result} result]
493	}
494
495	# back to normal
496	if {$itk_option(-holdwindow) != ""} {
497	blt::busy release $itk_option(-holdwindow)
498	}
499	$itk_component(abort) configure -state disabled
500
501	if {$status != 0} {
502	$itk_component(runinfo) configure -state normal
503	# Don't erase program error messages.
504	# $itk_component(runinfo) delete 1.0 end
505	$itk_component(runinfo) insert end "\n\nProblem launching job:\n\n" text
506	_simOutput $result
507	$itk_component(runinfo) configure -state disabled
508	$itk_component(runinfo) see 1.0
509
510	# Try to create a support ticket for this error.
511	# It may be a real problem.
512	if {[Rappture::bugreport::shouldReport for jobs]} {
513	set ::errorInfo "\n\n== RAPPTURE INPUT ==\n[$_tool xml xml]"
514	Rappture::bugreport::register "Problem launching job:\n$result"
515	Rappture::bugreport::attachment [$_tool xml xml]
516	Rappture::bugreport::send
517	}
518	} else {
519	$itk_component(notebook) current analyze
520	}
521
522	# do this last -- after _simOutput above
523	pack forget $itk_component(progress)
524	}
525
526
527	# ----------------------------------------------------------------------
528	# USAGE: reset ?-eventually\|-now?
529	#
530	# Used to reset the analyzer whenever the input to a simulation has
531	# changed. Sets the mode back to "simulate", so the user has to
532	# simulate again to see the output. If the <start> option is set
533	# to "auto", the simulation is invoked immediately.
534	# ----------------------------------------------------------------------
535	itcl::body Rappture::Analyzer::reset {{when -eventually}} {
536	if {$when == "-eventually"} {
537	after cancel [list catch [itcl::code $this reset -now]]
538	after idle [list catch [itcl::code $this reset -now]]
539	return
540	}
541
542	# check to see if simulation is really needed
543	$_tool sync
544	if {![$_resultset contains [$_tool xml object]] \|\|
545	[string equal $_control "manual-resim"]} {
546	# if control mode is "auto", then simulate right away
547	if {[string match auto* $_control]} {
548	# auto control -- don't need button
549	pack forget $itk_interior.simol
550
551	after cancel [itcl::code $this simulate]
552	after idle [itcl::code $this simulate]
553	} else {
554	_simState on "new input parameters"
555	}
556	} else {
557	_simState off
558	}
559	}
560
561	# ----------------------------------------------------------------------
562	# USAGE: load <xmlobj>
563	#
564	# Loads the data from the given <xmlobj> into the appropriate results
565	# sets. If necessary, new results sets are created to store the data.
566	# ----------------------------------------------------------------------
567	itcl::body Rappture::Analyzer::load {xmlobj} {
568	# only show the last result? then clear first
569	if {[string trim [$_tool xml get tool.analyzer]] == "last"} {
570	clear
571	}
572	#puts "Analyzer::load"
573	$_resultset add $xmlobj
574
575	# NOTE: Adding will trigger a !change event on the ResultSet
576	# object, which will trigger calls to _fixResultSet to add
577	# the results to display.
578	}
579
580	# ----------------------------------------------------------------------
581	# USAGE: clear ?<xmlobj>?
582	#
583	# Discards one or more results previously loaded into the analyzer.
584	# If an <xmlobj> is specified, then that one result is cleared.
585	# Otherwise, all results are cleared.
586	# ----------------------------------------------------------------------
587	itcl::body Rappture::Analyzer::clear {{xmlobj "all"}} {
588	if {$xmlobj eq "" \|\| $xmlobj eq "all"} {
589	$_resultset clear
590	} else {
591	$_resultset clear $xmlobj
592	}
593
594	# NOTE: Clearing will trigger a !change event on the ResultSet
595	# object, which will trigger calls to _fixResultSet to clean up
596	# the results being displayed.
597	}
598
599	# ----------------------------------------------------------------------
600	# USAGE: download coming
601	# USAGE: download controls <downloadCommand>
602	# USAGE: download start ?widget?
603	# USAGE: download now ?widget?
604	#
605	# Spools the current result so the user can download it.
606	# ----------------------------------------------------------------------
607	itcl::body Rappture::Analyzer::download {option args} {
608	set title [$itk_component(viewselector) value]
609	set page [$itk_component(viewselector) translate $title]
610
611	switch -- $option {
612	coming {
613	#
614	# Warn result that a download is coming, in case
615	# it needs to take a screen snap.
616	#
617	if {![regexp {^(\|@download\|---)$} $page]} {
618	set f [$itk_component(resultpages) page $page]
619	$f.rviewer download coming
620	}
621	}
622	controls {
623	# no controls for this download yet
624	return ""
625	}
626	start {
627	set widget $itk_component(download)
628	if {[llength $args] > 0} {
629	set widget [lindex $args 0]
630	if {[catch {winfo class $widget}]} {
631	set widget $itk_component(download)
632	}
633	}
634	#
635	# See if this download has any controls. If so, then
636	# post them now and let the user continue the download
637	# after selecting a file format.
638	#
639	if {$page != ""} {
640	set ext ""
641	set f [$itk_component(resultpages) page $page]
642	set arg [itcl::code $this download now $widget]
643	set popup [$f.rviewer download controls $arg]
644	if {"" != $popup} {
645	$popup activate $widget below
646	} else {
647	download now $widget
648	}
649	} else {
650	# this shouldn't happen
651	set file error.html
652	set data "<h1>Not Found</h1>There is no result selected."
653	}
654	}
655	now {
656	set widget $itk_component(download)
657	if {[llength $args] > 0} {
658	set widget [lindex $args 0]
659	if {[catch {winfo class $widget}]} {
660	set widget $itk_component(download)
661	}
662	}
663	#
664	# Perform the actual download.
665	#
666	if {$page != ""} {
667	set ext ""
668	set f [$itk_component(resultpages) page $page]
669	set item [$itk_component(viewselector) value]
670	set result [$f.rviewer download now $widget $_appName $item]
671	if { $result == "" } {
672	return; # User cancelled the download.
673	}
674	foreach {ext data} $result break
675	if {"" == $ext} {
676	if {"" != $widget} {
677	Rappture::Tooltip::cue $widget \
678	"Can't download this result."
679	}
680	return
681	}
682	regsub -all {[\ -\/\:-\@\{-\~]} $title {} title
683	set file "$title$ext"
684	} else {
685	# this shouldn't happen
686	set file error.html
687	set data "<h1>Not Found</h1>There is no result selected."
688	}
689
690	Rappture::Logger::log download [$itk_component(viewselector) value]
691	set mesg [Rappture::filexfer::download $data $file]
692	if {[string length $mesg] > 0} {
693	Rappture::Tooltip::cue $widget $mesg
694	}
695	}
696	default {
697	error "bad option \"$option\": should be coming, controls, now, start"
698	}
699	}
700	}
701
702	# ----------------------------------------------------------------------
703	# USAGE: _plot ?<index> <options> <index> <options>...?
704	#
705	# Used internally to update the plot shown in the current result
706	# viewer whenever the resultselector settings have changed. Causes the
707	# desired results to show up on screen.
708	# ----------------------------------------------------------------------
709	itcl::body Rappture::Analyzer::_plot {args} {
710	#puts "analyzer::_plot"
711	set _plotlist $args
712
713	set page [$itk_component(viewselector) value]
714	set page [$itk_component(viewselector) translate $page]
715	if {"" != $page} {
716	set f [$itk_component(resultpages) page $page]
717	$f.rviewer plot clear
718	foreach {index opts} $_plotlist {
719	$f.rviewer plot add $index $opts
720	}
721	}
722	}
723
724	# ----------------------------------------------------------------------
725	# USAGE: _reorder <compList>
726	#
727	# Used internally to change the order of a series of output components
728	# found in the <output> section. Moves the <log> elements to the end
729	# and returns the updated list.
730	# ----------------------------------------------------------------------
731	itcl::body Rappture::Analyzer::_reorder {comps} {
732	set i 0
733	set max [llength $comps]
734	while {$i < $max} {
735	set c [lindex $comps $i]
736	if {[string match log* $c]} {
737	set comps [lreplace $comps $i $i]
738	lappend comps $c
739	incr max -1
740	} else {
741	incr i
742	}
743	}
744	return $comps
745	}
746
747	# ----------------------------------------------------------------------
748	# USAGE: _autoLabel <xmlobj> <path> <title> <cntVar>
749	#
750	# Used internally to check for an about.label property at the <path>
751	# in <xmlobj>. If this object doesn't have a label, then one is
752	# supplied using the given <title>. The <cntVar> is an array of
753	# counters in the calling scopes for titles that have been used
754	# in the past. This is used to create titles like "Plot #2" the
755	# second time it is encountered.
756	#
757	# The <xmlobj> is updated so that the label is inserted directly in
758	# the tree.
759	# ----------------------------------------------------------------------
760	itcl::body Rappture::Analyzer::_autoLabel {xmlobj path title cntVar} {
761	upvar $cntVar counters
762
763	set group [$xmlobj get $path.about.group]
764	set label [$xmlobj get $path.about.label]
765	if {"" == $label} {
766	# no label -- make one up using the title specified
767	if {![info exists counters($group-$title)]} {
768	set counters($group-$title) 1
769	set label $title
770	} else {
771	set label "$title (#[incr counters($group-$title)])"
772	}
773	$xmlobj put $path.about.label $label
774	} else {
775	# handle the case of two identical labels in <output>
776	if {![info exists counters($group-$label)]} {
777	set counters($group-$label) 1
778	} else {
779	set label "$label (#[incr counters($group-$label)])"
780	$xmlobj put $path.about.label $label
781	}
782	}
783	return $label
784	}
785
786	# ----------------------------------------------------------------------
787	# USAGE: _fixResult
788	#
789	# Used internally to change the result page being displayed whenever
790	# the user selects a page from the results combobox.
791	# ----------------------------------------------------------------------
792	itcl::body Rappture::Analyzer::_fixResult {} {
793	set name [$itk_component(viewselector) value]
794	set page ""
795	if {"" != $name} {
796	set page [$itk_component(viewselector) translate $name]
797	}
798	if {$page == "@download"} {
799	# put the combobox back to its last value
800	$itk_component(viewselector) component entry configure -state normal
801	$itk_component(viewselector) component entry delete 0 end
802	$itk_component(viewselector) component entry insert end $_lastlabel
803	$itk_component(viewselector) component entry configure -state disabled
804	# perform the actual download
805	download start $itk_component(download)
806	} elseif {$page == "---"} {
807	# put the combobox back to its last value
808	$itk_component(viewselector) component entry configure -state normal
809	$itk_component(viewselector) component entry delete 0 end
810	$itk_component(viewselector) component entry insert end $_lastlabel
811	$itk_component(viewselector) component entry configure -state disabled
812	} elseif {$page != ""} {
813	set _lastlabel $name
814	$itk_component(resultpages) current $page
815	set f [$itk_component(resultpages) page $page]
816	# We don't want to replot if we're using an existing viewer with the
817	# the same list of objects to plot. So track the viewer and the list.
818	if { ![info exists _lastPlot($f)] \|\| $_plotlist != $_lastPlot($f) } {
819	set _lastPlot($f) $_plotlist
820	set win [winfo toplevel $itk_component(hull)]
821	blt::busy hold $win
822	#puts "rviewer = $f.rviewer"
823	#puts "_plotlist = $_plotlist"
824	$f.rviewer plot clear
825	eval $f.rviewer plot add $_plotlist
826	blt::busy release $win
827	}
828	Rappture::Logger::log output $_label2item($name)
829	Rappture::Tooltip::for $itk_component(viewselector) \
830	"@[itcl::code $this _resultTooltip]" -log $_label2item($name)
831	}
832	}
833
834	# ----------------------------------------------------------------------
835	# USAGE: _fixResultSet ?<eventData>...?
836	#
837	# Used internally to react to changes within the ResultSet. When a
838	# result is added, a new result viewer is created for the object.
839	# When all results are cleared, the viewers are deleted.
840	# ----------------------------------------------------------------------
841	itcl::body Rappture::Analyzer::_fixResultSet {args} {
842	#puts "Analyzer::_fixResultSet $args"
843	array set eventData $args
844	switch -- $eventData(op) {
845	add {
846	set xmlobj $eventData(what)
847
848	# Detect molecule elements that contain trajectory data
849	# and convert to sequences.
850	_trajToSequence $xmlobj output
851
852	# Go through the analysis and find all result sets.
853	set haveresults 0
854	foreach item [_reorder [$xmlobj children output]] {
855	if {[$xmlobj get output.$item.about.uqtype] == ""} {
856	switch -glob -- $item {
857	log* {
858	_autoLabel $xmlobj output.$item "Output Log" counters
859	}
860	number* {
861	_autoLabel $xmlobj output.$item "Number" counters
862	}
863	integer* {
864	_autoLabel $xmlobj output.$item "Integer" counters
865	}
866	mesh* {
867	_autoLabel $xmlobj output.$item "Mesh" counters
868	}
869	string* {
870	_autoLabel $xmlobj output.$item "String" counters
871	}
872	histogram* - curve* - field* {
873	_autoLabel $xmlobj output.$item "Plot" counters
874	}
875	drawing* {
876	_autoLabel $xmlobj output.$item "Drawing" counters
877	}
878	structure* {
879	_autoLabel $xmlobj output.$item "Structure" counters
880	}
881	table* {
882	_autoLabel $xmlobj output.$item "Energy Levels" counters
883	}
884	sequence* {
885	_autoLabel $xmlobj output.$item "Sequence" counters
886	}
887	}
888	}
889	set label [$xmlobj get output.$item.about.group]
890	if {"" == $label} {
891	set label [$xmlobj get output.$item.about.label]
892	}
893
894	set hidden [$xmlobj get output.$item.hide]
895	set hidden [expr {"" != $hidden && $hidden}]
896
897	if {"" != $label && !$hidden} {
898	set haveresults 1
899	}
900	}
901
902	# if there are any valid results, add them to the resultset
903	if {$haveresults} {
904	set index [$_resultset get simnum $xmlobj]
905
906	# add each result to a result viewer
907	foreach item [_reorder [$xmlobj children output]] {
908	set label [$xmlobj get output.$item.about.group]
909	if {"" == $label} {
910	set label [$xmlobj get output.$item.about.label]
911	}
912	set hidden [$xmlobj get output.$item.hide]
913	if {$hidden == ""} {
914	set hidden 0
915	}
916	if {"" != $label && !$hidden} {
917	set uq_part [$xmlobj get output.$item.about.uqtype]
918
919	#puts "label=$label uq_part=$uq_part"
920
921	if {![info exists _label2page($label)]} {
922	#puts "Adding label: '$label'"
923	set name "page[incr _pages]"
924	#puts "Inserting $name into resultpages"
925	set page [$itk_component(resultpages) \
926	insert end $name]
927	set _label2page($label) $page
928	set _label2item($label) output.$item
929	set _label2desc($label) \
930	[$xmlobj get output.$item.about.description]
931	Rappture::ResultViewer $page.rviewer
932	pack $page.rviewer -expand yes -fill both -pady 4
933
934	set end [$itk_component(viewselector) \
935	choices index -value ---]
936	if {$end < 0} {
937	set end "end"
938	}
939	$itk_component(viewselector) choices insert $end \
940	$name $label
941	}
942
943	# add/replace the latest result into this viewer
944	set page $_label2page($label)
945
946	if {![info exists reset($page)]} {
947	$page.rviewer clear $index
948	set reset($page) 1
949	}
950	$page.rviewer add $index $xmlobj output.$item $label $uq_part
951	}
952	}
953	}
954
955	# show the first page by default
956	set max [$itk_component(viewselector) choices size]
957	for {set i 0} {$i < $max} {incr i} {
958	set first [$itk_component(viewselector) choices get -label $i]
959	if {$first != ""} {
960	set page [$itk_component(viewselector) choices get -value $i]
961	set char [string index $page 0]
962	if {$char != "@" && $char != "-"} {
963	$itk_component(resultpages) current $page
964	$itk_component(viewselector) value $first
965	set _lastlabel $first
966	break
967	}
968	}
969	}
970	}
971	clear {
972	if {$eventData(what) ne "all"} {
973	# delete this result from all viewers
974	array set params $eventData(what)
975	foreach label [array names _label2page] {
976	set page $_label2page($label)
977	$page.rviewer clear $params(simnum)
978	}
979	}
980
981	if {[$_resultset size] == 0} {
982	# reset the size of the controls area
983	set ht [winfo height $itk_component(results)]
984	set cntlht [$itk_component(resultselector) size -controlarea]
985	set frac [expr {double($cntlht)/$ht}]
986	$itk_component(results) fraction end $frac
987
988	foreach label [array names _label2page] {
989	set page $_label2page($label)
990	destroy $page.rviewer
991	}
992	$itk_component(resultpages) delete -all
993	set _pages 0
994
995	$itk_component(viewselector) value ""
996	$itk_component(viewselector) choices delete 0 end
997	catch {unset _label2page}
998	catch {unset _label2item}
999	catch {unset _label2desc}
1000	set _plotlist ""
1001
1002	$itk_component(viewselector) choices insert end --- "---"
1003	$itk_component(viewselector) choices insert end \
1004	@download [Rappture::filexfer::label download]
1005	set _lastlabel ""
1006	}
1007
1008	# fix Simulate button state
1009	reset
1010	}
1011	default {
1012	error "don't know how to handle op \"$eventData(op)\""
1013	}
1014	}
1015	}
1016
1017	# ----------------------------------------------------------------------
1018	# USAGE: _fixSize
1019	#
1020	# Used internally to change the size of the result set area whenever
1021	# a new control appears. Adjusts the size available for the result
1022	# set up to some maximum.
1023	# ----------------------------------------------------------------------
1024	itcl::body Rappture::Analyzer::_fixSize {} {
1025	set ht [winfo height $itk_component(results)]
1026	if {$ht <= 1} { set ht [winfo reqheight $itk_component(results)] }
1027	set cntlht [$itk_component(resultselector) size -controlarea]
1028	set frac [expr {double($cntlht)/$ht}]
1029
1030	if {$frac < 0.4} {
1031	$itk_component(results) fraction end $frac
1032	}
1033	_fixSimControl
1034	}
1035
1036	# ----------------------------------------------------------------------
1037	# USAGE: _simState <boolean> ?<message>? ?<settings>?
1038	#
1039	# Used internally to change the "Simulation" button on or off.
1040	# If the <boolean> is on, then any <message> and <settings> are
1041	# displayed as well. If the <boolean> is off, then only display
1042	# the message. The <message> is a note to the user about
1043	# what will be simulated, and the <settings> are a list of
1044	# tool parameter settings of the form {path1 val1 path2 val2 ...}.
1045	# When these are in place, the next Simulate operation will use
1046	# these settings. This helps fill in missing data values.
1047	# ----------------------------------------------------------------------
1048	itcl::body Rappture::Analyzer::_simState {state args} {
1049	if {$state} {
1050	$itk_interior.simol configure \
1051	-background $itk_option(-simcontrolactiveoutline)
1052	configure -simcontrolcolor $itk_option(-simcontrolactivebackground)
1053
1054	$itk_component(abort) configure -state disabled
1055	$itk_component(simulate) configure -state normal \
1056	-command [itcl::code $this simulate]
1057
1058	#
1059	# If there's a special message, then put it up next to the button.
1060	#
1061	set mesg [lindex $args 0]
1062	if {"" != $mesg} {
1063	$itk_component(simstatus) configure -state normal
1064	$itk_component(simstatus) delete 1.0 end
1065	$itk_component(simstatus) insert end $mesg
1066
1067	#
1068	# If there are any settings, then install them in the
1069	# "Simulate" button. Also, pop them up as a tooltip
1070	# for the message.
1071	#
1072	set settings [lindex $args 1]
1073	if {[llength $settings] > 0} {
1074	$itk_component(simulate) configure \
1075	-command [eval itcl::code $this simulate $settings]
1076
1077	set details ""
1078	foreach {path val} $settings {
1079	set str [string trim [$_tool xml get $path.about.label]]
1080	if {"" == $str} {
1081	set str [$_tool xml element -as id $path]
1082	}
1083	append details "$str = $val\n"
1084	}
1085	set details [string trim $details]
1086
1087	Rappture::Tooltip::for $itk_component(simstatus) $details
1088	$itk_component(simstatus) insert end " "
1089	$itk_component(simstatus) insert end "(details...)" popup
1090	}
1091	$itk_component(simstatus) configure -state disabled
1092	}
1093	} else {
1094	if {"" != $itk_option(-simcontrolbackground)} {
1095	set simcbg $itk_option(-simcontrolbackground)
1096	} else {
1097	set simcbg $itk_option(-background)
1098	}
1099	$itk_interior.simol configure \
1100	-background $itk_option(-simcontroloutline)
1101	configure -simcontrolcolor $simcbg
1102
1103	if {$_uq_active == 0} {
1104	$itk_component(simulate) configure -state disabled
1105	}
1106	$itk_component(abort) configure -state normal
1107
1108	$itk_component(simstatus) configure -state normal
1109	$itk_component(simstatus) delete 1.0 end
1110	set mesg [lindex $args 0]
1111	if {"" != $mesg} {
1112	$itk_component(simstatus) insert end $mesg
1113	}
1114	$itk_component(simstatus) configure -state disabled
1115	}
1116	}
1117
1118	itcl::body Rappture::Analyzer::_simLogError {message} {
1119	puts -nonewline stderr $message
1120	}
1121
1122	itcl::body Rappture::Analyzer::_simLogOutput {message} {
1123	puts -nonewline stdout $message
1124	flush stdout
1125	}
1126
1127	# ----------------------------------------------------------------------
1128	# USAGE: _simOutput <message>
1129	#
1130	# Invoked automatically whenever output comes in while running the
1131	# tool. Extracts any =RAPPTURE-???=> messages from the output and
1132	# sends the output to the display. For example, any
1133	# =RAPPTURE-PROGRESS=> message pops up the progress meter and updates
1134	# it to show the latest progress message. This is useful for
1135	# long-running tools, to let the user know how much longer the
1136	# simulation will take.
1137	# ----------------------------------------------------------------------
1138	itcl::body Rappture::Analyzer::_simOutput {message} {
1139	#
1140	# Scan through and pick out any =RAPPTURE-PROGRESS=> messages first.
1141	#
1142	set pattern {=RAPPTURE-PROGRESS=> ([-+]?[0-9]+) +([^\n])(\n\|$)}
1143	while {[regexp -indices $pattern $message match percent mesg]} {
1144
1145	foreach {i0 i1} $percent break
1146	set percent [string range $message $i0 $i1]
1147
1148	foreach {i0 i1} $mesg break
1149	set mesg [string range $message $i0 $i1]
1150
1151	pack $itk_component(progress) -fill x -padx 10 -pady 10
1152	$itk_component(progress) settings -percent $percent -message $mesg
1153
1154	foreach {i0 i1} $match break
1155	set message [string replace $message $i0 $i1]
1156	}
1157
1158	#
1159	# Now handle SUBMIT-PROGRESS
1160	#
1161	while {[regexp -indices {=SUBMIT-PROGRESS=> aborted=([0-9]+) finished=([0-9]+) failed=([0-9]+) executing=([0-9]+)\
1162	waiting=([0-9]+) setting_up=([0-9]+) setup=([0-9]+) %done=([0-9.]+) timestamp=([0-9.]+)(\n\|$)} $message \
1163	match aborted finished failed executing waiting setting_up setup percent ts mesg]} {
1164
1165	set mesg ""
1166	foreach {i0 i1} $percent break
1167	set percent [string range $message $i0 $i1]
1168	foreach {i0 i1} $failed break
1169	set failed [string range $message $i0 $i1]
1170	foreach {i0 i1} $match break
1171	set message [string replace $message $i0 $i1]
1172
1173	if {$failed != 0} {set mesg "$failed jobs failed!"}
1174	if {$percent >= 100} { set mesg "Jobs finished. Analyzing results..."}
1175
1176	pack $itk_component(progress) -fill x -padx 10 -pady 10
1177	$itk_component(progress) settings -percent $percent -message $mesg
1178	}
1179
1180	#
1181	# Break up the remaining lines according to =RAPPTURE-ERROR=> messages.
1182	# Show errors in a special color.
1183	#
1184	$itk_component(runinfo) configure -state normal
1185	set pattern {=RAPPTURE-([a-zA-Z]+)=>([^\n]*)(\n\|$)}
1186	while {[regexp -indices $pattern $message match type mesg]} {
1187	foreach {i0 i1} $match break
1188	set first [string range $message 0 [expr {$i0-1}]]
1189	if {[string length $first] > 0} {
1190	$itk_component(runinfo) insert end $first
1191	$itk_component(runinfo) insert end \n
1192	}
1193
1194	foreach {t0 t1} $type break
1195	set type [string range $message $t0 $t1]
1196	foreach {m0 m1} $mesg break
1197	set mesg [string range $message $m0 $m1]
1198	if {[string length $mesg] > 0 && $type != "RUN"} {
1199	$itk_component(runinfo) insert end $mesg $type
1200	$itk_component(runinfo) insert end \n $type
1201	}
1202
1203	set message [string range $message [expr {$i1+1}] end]
1204	}
1205
1206	if {[string length $message] > 0} {
1207	$itk_component(runinfo) insert end $message
1208	if {[$itk_component(runinfo) get end-2char] != "\n"} {
1209	$itk_component(runinfo) insert end "\n"
1210	}
1211	$itk_component(runinfo) see end
1212	}
1213	$itk_component(runinfo) configure -state disabled
1214	}
1215
1216	# ----------------------------------------------------------------------
1217	# USAGE: _resultTooltip
1218	#
1219	# Used internally to build the tooltip string displayed for the
1220	# result selector. If the current page has an associated description,
1221	# then it is displayed beneath the result.
1222	#
1223	# Returns the string for the tooltip.
1224	# ----------------------------------------------------------------------
1225	itcl::body Rappture::Analyzer::_resultTooltip {} {
1226	set tip ""
1227	set name [$itk_component(viewselector) value]
1228	if {[info exists _label2desc($name)] &&
1229	[string length $_label2desc($name)] > 0} {
1230	append tip "$_label2desc($name)\n\n"
1231	}
1232	if {[array size _label2page] > 1} {
1233	append tip "Use this control to display other output results."
1234	}
1235	return $tip
1236	}
1237
1238	# ----------------------------------------------------------------------
1239	# USAGE: _fixSimControl
1240	#
1241	# Used internally to add or remove the simulation control at the
1242	# top of the analysis area. This is controlled by the -simcontrol
1243	# option.
1244	# ----------------------------------------------------------------------
1245	itcl::body Rappture::Analyzer::_fixSimControl {} {
1246	switch -- $itk_option(-simcontrol) {
1247	on {
1248	pack $itk_interior.simol -fill x -before $itk_interior.nb
1249	}
1250	off {
1251	pack forget $itk_interior.simol
1252	}
1253	auto {
1254	#
1255	# If we have two or more radiodials, then there is a
1256	# chance of encountering a combination of parameters
1257	# with no data, requiring simulation.
1258	#
1259	if {[$itk_component(resultselector) size -controls] >= 2} {
1260	pack $itk_interior.simol -fill x -before $itk_interior.nb
1261	} else {
1262	pack forget $itk_interior.simol
1263	}
1264	}
1265	default {
1266	error "bad value \"$itk_option(-simcontrol)\": should be on, off, auto"
1267	}
1268	}
1269	}
1270
1271	# ----------------------------------------------------------------------
1272	# USAGE: _fixNotebook
1273	#
1274	# Used internally to switch the active notebook page
1275	# ----------------------------------------------------------------------
1276	itcl::body Rappture::Analyzer::_fixNotebook {} {
1277	switch -- $itk_option(-notebookpage) {
1278	about {
1279	$itk_component(notebook) current about
1280	}
1281	simulate {
1282	$itk_component(notebook) current simulate
1283	}
1284	analyze {
1285	$itk_component(notebook) current analyze
1286	}
1287	default {
1288	error "bad value \"$itk_option(-notebookpage)\": should be about, simulate, analyze"
1289	}
1290	}
1291	}
1292
1293	# ----------------------------------------------------------------------
1294	# USAGE: _isPdbTrajectory <data>
1295	#
1296	# Used internally to determine whether pdb or lammps data represents a
1297	# trajectory rather than a single frame
1298	# ----------------------------------------------------------------------
1299	itcl::body Rappture::Analyzer::_isPdbTrajectory {data} {
1300	if { [llength $data] == 0 } {
1301	return 0
1302	}
1303	set nModels 0
1304	foreach line $data {
1305	if { [string match "MODEL*" $line] } {
1306	incr nModels
1307	if { $nModels > 1 } {
1308	# Stop if more than one model found. No need to count them
1309	# all.
1310	return 1
1311	}
1312	}
1313	}
1314	return 0
1315	}
1316
1317	# ----------------------------------------------------------------------
1318	# USAGE: _isLammpsTrajectory <data>
1319	#
1320	# Used internally to determine whether pdb or lammps data represents a
1321	# trajectory rather than a single frame
1322	# ----------------------------------------------------------------------
1323	itcl::body Rappture::Analyzer::_isLammpsTrajectory { data } {
1324	if { [llength $data] == 0 } {
1325	return 0
1326	}
1327	set nModels 0
1328	foreach line $data {
1329	if { [regexp {^[\t ]*ITEM:[ \t]+TIMESTEP} $line] } {
1330	incr nModels
1331	if { $nModels > 1 } {
1332	# Stop if more than one model found. No need to count them
1333	# all.
1334	return 1
1335	}
1336	}
1337	}
1338	return 0
1339	}
1340
1341	# ----------------------------------------------------------------------
1342	# USAGE: _pdbToSequence <xmlobj> ?<path>?
1343	#
1344	# If the molecule element is a trajectory, delete the original
1345	# and create a sequence of individual molecules.
1346	# Used internally to detect any molecule output elements that contain
1347	# trajectory data. Trajectories will be converted into sequences of
1348	# individual molecules. All other elements will be unaffected. Scans
1349	# the entire xml tree if a starting path is not specified.
1350	# ----------------------------------------------------------------------
1351	itcl::body Rappture::Analyzer::_pdbToSequence {xmlobj path id child data} {
1352
1353	set seqLabel [$xmlobj get ${child}.about.label]
1354	set descr [$xmlobj get ${child}.about.description]
1355	set formula [$xmlobj get ${child}.components.molecule.formula]
1356	$xmlobj remove $child
1357
1358	set sequence $path.sequence($id)
1359	$xmlobj put ${sequence}.about.label $seqLabel
1360	$xmlobj put ${sequence}.about.description $descr
1361	$xmlobj put ${sequence}.index.label "Frame"
1362
1363	set frameNum 0
1364	set numLines [llength $data]
1365	for { set i 0 } { $i < $numLines } { incr i } {
1366	set line [lindex $data $i]
1367	set line [string trim $line]
1368	set contents {}
1369	if { [string match "MODEL*" $line] } {
1370	# Save the contents until we get an ENDMDL record.
1371	for {} { $i < $numLines } { incr i } {
1372	set line [lindex $data $i]
1373	set line [string trim $line]
1374	if { $line == "" } {
1375	continue; # Skip blank lines.
1376	}
1377	if { [string match "ENDMDL*" $line] } {
1378	break;
1379	}
1380	append contents $line\n
1381	}
1382	set frame ${sequence}.element($frameNum)
1383	$xmlobj put ${frame}.index $frameNum
1384
1385	set molecule ${frame}.structure.components.molecule
1386	$xmlobj put ${molecule}.pdb $contents
1387	$xmlobj put ${molecule}.formula $formula
1388	incr frameNum
1389	}
1390	}
1391	}
1392
1393	# ----------------------------------------------------------------------
1394	# USAGE: _lammpsToSequence <xmlobj> ?<path>?
1395	#
1396	# If the molecule element is a trajectory, delete the original
1397	# and create a sequence of individual molecules.
1398	# Used internally to detect any molecule output elements that contain
1399	# trajectory data. Trajectories will be converted into sequences of
1400	# individual molecules. All other elements will be unaffected. Scans
1401	# the entire xml tree if a starting path is not specified.
1402	# ----------------------------------------------------------------------
1403	itcl::body Rappture::Analyzer::_lammpsToSequence {xmlobj path id child data} {
1404
1405	set seqLabel [$xmlobj get ${child}.about.label]
1406	set descr [$xmlobj get ${child}.about.description]
1407	set typemap [$xmlobj get ${child}.components.molecule.lammpstypemap]
1408	$xmlobj remove $child
1409
1410	set sequence ${path}.sequence($id)
1411	$xmlobj put ${sequence}.about.label $seqLabel
1412	$xmlobj put ${sequence}.about.description $descr
1413	$xmlobj put ${sequence}.index.label "Frame"
1414
1415	set frameNum 0
1416	set frameContents ""
1417	set inModel 0
1418	foreach line $data {
1419	set line [string trim $line]
1420	if { $line == "" } {
1421	continue; # Skip blank lines
1422	}
1423	if {[regexp {^[\t ]*ITEM:[ \t]+ATOMS} $line] } {
1424	if { $inModel && $frameContents != "" } {
1425	set frame ${sequence}.element($frameNum)
1426	$xmlobj put ${frame}.index $frameNum
1427
1428	set molecule ${frame}.structure.components.molecule
1429	$xmlobj put ${molecule}.lammps $frameContents
1430	$xmlobj put ${molecule}.lammpstypemap $typemap
1431
1432	incr frameNum
1433	set frameContents ""
1434	}
1435	set inModel 1
1436	} elseif { [scan $line "%d %d %f %f %f" a b c d e] == 5 } {
1437	if { !$inModel } {
1438	puts stderr "found \"$line\" without previous \"ITEM: ATOMS\""
1439	set inModel 1
1440	}
1441	append frameContents $line\n
1442	}
1443	}
1444	if { $frameContents != "" } {
1445	set frame ${sequence}.element($frameNum)
1446	$xmlobj put ${frame}.index $frameNum
1447
1448	set molecule ${frame}.structure.components.molecule
1449	$xmlobj put ${molecule}.lammps $frameContents
1450	$xmlobj put ${molecule}.lammpstypemap $typemap
1451	}
1452	}
1453
1454	# ----------------------------------------------------------------------
1455	# USAGE: _trajToSequence <xmlobj> ?<path>?
1456	#
1457	# Check for PDB and LAMMPS trajectories in molecule data and rewrite
1458	# the individual models as a sequence of molecules. Used internally
1459	# to detect any molecule output elements that contain trajectory data.
1460	# Trajectories will be converted into sequences of individual molecules.
1461	# All other elements will be unaffected. Scans the entire xml tree if a
1462	# starting path is not specified.
1463	#
1464	# ----------------------------------------------------------------------
1465	itcl::body Rappture::Analyzer::_trajToSequence {xmlobj {path ""}} {
1466	# Remove leading dot from path, if present.
1467	if { [string index $path 0] == "." } {
1468	set path [string range $path 1 end]
1469	}
1470	# Otherwise check each child.
1471	foreach child [$xmlobj children $path] {
1472	set current ${path}.${child}
1473	if { [string match "structure*" $child] } {
1474	set isTraj [$xmlobj get ${current}.components.molecule.trajectory]
1475	if { $isTraj == "" \|\| !$isTraj } {
1476	continue; # Not a trajectory.
1477	}
1478	# Look for trajectory if molecule element found. Check both pdb
1479	# data and lammps data.
1480	set type [$xmlobj element -as type $current]
1481	set id [$xmlobj element -as id $current]
1482	set pdbdata [$xmlobj get ${current}.components.molecule.pdb]
1483	set lammpsdata [$xmlobj get ${current}.components.molecule.lammps]
1484	if { $pdbdata != "" && $lammpsdata != "" } {
1485	puts stderr \
1486	"found both <pdb> and <lammps> elements: picking pdb"
1487	}
1488	set pdbdata [split $pdbdata \n]
1489	set lammpsdata [split $lammpsdata \n]
1490	if { [_isPdbTrajectory $pdbdata] } {
1491	_pdbToSequence $xmlobj $path $id $current $pdbdata
1492	} elseif { [_isLammpsTrajectory $lammpsdata] } {
1493	_lammpsToSequence $xmlobj $path $id $current $lammpsdata
1494	}
1495	continue
1496	}
1497	}
1498	}
1499
1500	# ----------------------------------------------------------------------
1501	# CONFIGURATION OPTION: -simcontrol
1502	#
1503	# Controls whether or not the Simulate button is showing. In some
1504	# cases, it is not needed.
1505	# ----------------------------------------------------------------------
1506	itcl::configbody Rappture::Analyzer::simcontrol {
1507	_fixSimControl
1508	}
1509
1510	# ----------------------------------------------------------------------
1511	# CONFIGURATION OPTION: -notebookpage
1512	#
1513	# Controls which page of the analyzer notebook is shown. It is
1514	# particularly needed when using rerun, when you don't want to
1515	# "simulate -ifneeded" because an actual simulation might be
1516	# kicked off due to differences between tool.xml and run.xml
1517	# ----------------------------------------------------------------------
1518	itcl::configbody Rappture::Analyzer::notebookpage {
1519	_fixNotebook
1520	}
1521
1522	itcl::body Rappture::Analyzer::PostMenu { m } {
1523	if { [FindSimsetsForApp $_appName] == 0 } {
1524	$m entryconfigure "Load Simulations" -state disable
1525	$m entryconfigure "Share Simulations" -state disable
1526	$m entryconfigure "Delete Simulations" -state disabled
1527	} else {
1528	$m entryconfigure "Load Simulations" -state normal
1529	$m entryconfigure "Share Simulations" -state normal
1530	$m entryconfigure "Delete Simulations" -state normal
1531	}
1532	if { [$_resultset size] == 0 } {
1533	$m entryconfigure "Save Simulations" -state disabled
1534	} else {
1535	$m entryconfigure "Save Simulations" -state normal
1536	}
1537	}
1538
1539	#
1540	# Build Help menu
1541	#
1542	itcl::body Rappture::Analyzer::buildMenu { m url appName } {
1543	menu $m \
1544	-tearoff 0 \
1545	-postcommand [itcl::code $this PostMenu $m]
1546	if { $appName == "" \|\| $url == "" } {
1547	set state disabled
1548	} else {
1549	set state normal
1550	}
1551	set webcmd Rappture::filexfer::webpage
1552	set group "app-$_appName"
1553	if { [info exists env(SESSION)] } {
1554	set referer "&referrer=$url/tools/$appName/session?sess=$env(SESSION)"
1555	} else {
1556	set referer ""
1557	}
1558	$m add command -label "About this tool" \
1559	-command [list $webcmd "$url/tools/$appName"] \
1560	-state $state
1561	$m add command -label "Questions?" \
1562	-command [list $webcmd "$url/resources/$_appName/questions"] \
1563	-state $state
1564	$m add command -label "Tickets" -state $state \
1565	-command [list $webcmd "$url/feedback/report_problems?group=$group$referer"]
1566	$m add command -label "Wish List" -state disabled
1567	$m add separator
1568	$m add command -label "Save Simulations" \
1569	-command [itcl::code $this SelectSimsetNameAndSave] \
1570	-state $state
1571	$m add command -label "Load Simulations" \
1572	-command [itcl::code $this SelectSimsetForLoading] \
1573	-state $state
1574	$m add command -label "Delete Simulations" \
1575	-command [itcl::code $this SelectSimsetForDeletion] \
1576	-state $state
1577	$m add command -label "Share Simulations" \
1578	-command [itcl::code $this SelectSimsetToShare] \
1579	-state $state
1580	return $m
1581	}
1582
1583	itcl::body Rappture::Analyzer::BuildSimulationTable { top } {
1584	# All weirdness is due to the Resultset object.
1585
1586	# First create nodes for each simulation. The node label is the
1587	# simulation number (such as #1, #2, etc).
1588	eval $_tree delete 0
1589	set labels "selected simnum"
1590	foreach {name index} [$_resultset diff values simnum] {
1591	set node [$_tree insert 0 -label $name]
1592	$_tree set $node "simnum" $name
1593	set index2name($index) $name
1594
1595	}
1596	# Next fill in the xmlobj associated with each simulation. We assume
1597	# that the order is the the same as the simulation number.
1598	set index 0
1599	foreach {xmlobj dummy} [$_resultset diff values xmlobj] {
1600	set node [$_tree findchild 0 $index2name($index)]
1601	set runfile [$xmlobj get output.filename]
1602	set version [$xmlobj get output.version]
1603	$_tree set $node \
1604	"selected" 1 "xmlobj" $xmlobj "runfile" $runfile "version" $version
1605	incr index
1606	}
1607	# Finally for each different input, for each simulation add the
1608	# label and value for the specific input.
1609	foreach name [$_resultset diff names] {
1610	# Ignore non-input names.
1611	if { $name == "xmlobj" \|\| $name == "simnum" } {
1612	continue
1613	}
1614	foreach node [$_tree children 0] {
1615	set xmlobj [$_tree get $node xmlobj]
1616	set label [$xmlobj get $name.about.label]
1617	set value [$xmlobj get $name.current]
1618	if { [$_tree exists $node $label] } {
1619	puts stderr "This can't be: $label already exists in $node"
1620	}
1621	if { [lsearch $labels $label] < 0 } {
1622	lappend labels $label
1623	}
1624	$_tree set $node $label $value
1625	}
1626	}
1627	frame $top
1628	set tv $top.tv
1629	blt::treeview $top.tv -tree $_tree \
1630	-height 1i \
1631	-xscrollcommand [list $top.xs set] \
1632	-yscrollcommand [list $top.ys set] \
1633	-font "Arial 10"
1634	scrollbar $top.xs -orient horizontal -command "$tv xview"
1635	scrollbar $top.ys -orient vertical -command "$tv yview"
1636
1637	eval $tv column insert end $labels
1638	$tv style checkbox checkbox -showvalue no
1639	$tv column configure simnum -title "Simulation"
1640	$tv column configure selected -title "Save" -style checkbox \
1641	-width .5i -edit yes
1642	$tv column configure treeView -hide yes
1643	blt::table $top \
1644	0,0 $top.tv -fill both \
1645	0,1 $top.ys -fill y \
1646	1,0 $top.xs -fill x
1647	blt::table configure $top r* c* -resize none
1648	blt::table configure $top r0 c0 -resize both
1649	}
1650
1651	itcl::body Rappture::Analyzer::CleanName { name } {
1652	regsub -all {/} $name {_} name
1653	return $name
1654	}
1655
1656	#
1657	# Get the results and display them in a table.
1658	#
1659	# Use the table to omit specific results
1660	# Use file chooser to save to specific
1661	itcl::body Rappture::Analyzer::SelectSimsetNameAndSave {} {
1662	if { [EditSimset] } {
1663	set name [CleanName $_saved(Name)]
1664	set saveDir [file join ~/data/saved $_appName $name]
1665	set saveDir [file normalize $saveDir]
1666	file mkdir $saveDir
1667	set fileName [file join $saveDir $name.sav]
1668	if { [file exists $fileName] } {
1669	if { ![OverwriteSaveFile] } {
1670	return
1671	}
1672	}
1673	WriteSimsetFile $_appName $fileName 0
1674	}
1675	}
1676
1677	#
1678	# Get the results and display them in a table.
1679	#
1680	# Use the table to omit specific results
1681	# Use file chooser to save to specific
1682	itcl::body Rappture::Analyzer::SelectSimsetToShare {} {
1683	if { [GetSimset "share"] } {
1684	global env
1685	set name [CleanName $_saved(Name)]
1686	set shareDir [file join /data/tools/shared $env(USER) $_appName $name]
1687	if { [catch {
1688	CreateSharedPath $shareDir
1689	} errs] != 0 } {
1690	puts stderr errs=$errs
1691	return
1692	}
1693	set fileName [file join $shareDir $name.sav]
1694	if { [file exists $fileName] } {
1695	if { ![OverwriteSaveFile] } {
1696	return
1697	}
1698	}
1699	WriteSimsetFile $_appName $fileName 1
1700	ExportURL $_appName $shareDir
1701	}
1702	}
1703
1704	#
1705	# Checks editor widgets to see if the name and description have been
1706	# set. If this is so it enables the save button in the editor.
1707	#
1708	itcl::body Rappture::Analyzer::CheckSimsetDetails {} {
1709	set popup .savesimset
1710	if { ![winfo exists $popup] } {
1711	return
1712	}
1713	set inner [$popup component inner]
1714	set name [string trim [$inner.name get]]
1715	set desc [string trim [$inner.desc get 0.0 end]]
1716	$inner.controls.save configure -state disabled
1717	if { $name == "" \|\| $desc == "" } {
1718	return
1719	}
1720	$inner.controls.save configure -state normal
1721	}
1722
1723	#
1724	# Gathers all the information from the simset editor into the _saved array
1725	#
1726	itcl::body Rappture::Analyzer::SaveSimulations {} {
1727	set popup .savesimset
1728	if { ![winfo exists $popup] } {
1729	return
1730	}
1731	set inner [$popup component inner]
1732	array unset _saved
1733	set name [string trim [$inner.name get]]
1734	set desc [string trim [$inner.desc get 0.0 end]]
1735	set _saved(Application) $_appName
1736	set _saved(Revision) $_revision
1737	set _saved(Date) [clock format [clock seconds]]
1738	set _saved(Name) $name
1739	set _saved(Description) $desc
1740	set files {}
1741	foreach node [$_tree children root] {
1742	set fileName [$_tree get $node runfile]
1743	lappend files $fileName
1744	}
1745	set _saved(Files) $files
1746	set _done 1
1747	}
1748
1749	itcl::body Rappture::Analyzer::Cancel {} {
1750	set _done 0
1751	}
1752
1753	itcl::body Rappture::Analyzer::Ok {} {
1754	set popup .selectsimset
1755	if { ![winfo exists $popup] } {
1756	return
1757	}
1758	set inner [$popup component inner]
1759	set tv $inner.tv
1760	if { ![$tv selection present] } {
1761	return
1762	}
1763	set node [$tv curselection]
1764	array unset _saved
1765	array set _saved [$_tree get $node]
1766	set saveDir [file dirname $_saved(FileName)]
1767	set files {}
1768	foreach file $_saved(Files) {
1769	if { [file pathtype $file] == "relative" } {
1770	set file [file join $saveDir $file]
1771	}
1772	lappend files $file
1773	}
1774	set _saved(Files) $files
1775	set _done 1
1776	}
1777
1778	#
1779	# WriteSimsetFile --
1780	#
1781	# Write the .sav file and the runfiles in the
1782	# ~/data/saved/$_appName/$name
1783	# directory.
1784	# The run files will be in the same directory as the .sav file.
1785	# For example, if the simset file is /path/to/appName/myName/myName.sav,
1786	# the runfile directory is /path/to/appName/myName.
1787	#
1788	itcl::body Rappture::Analyzer::WriteSimsetFile { appName fileName share } {
1789	set saveDir [file dirname $fileName]
1790	if { [file exists $saveDir] } {
1791	file delete -force $saveDir
1792	}
1793	if { [catch {
1794	if { $share } {
1795	CreateSharedPath $saveDir
1796	} else {
1797	file mkdir $saveDir
1798	}
1799	set f [open $fileName "w"]
1800	puts $f [list "Name" $_saved(Name)]
1801	puts $f [list "Description" $_saved(Description)]
1802	puts $f [list "Date" $_saved(Date)]
1803	global env
1804	puts $f [list "Creator" $env(USER)]
1805	puts $f [list "Application" $_saved(Application)]
1806	puts $f [list "Revision" $_saved(Revision)]
1807	set runfiles ""
1808	foreach file $_saved(Files) {
1809	set tail [file tail $file]
1810	set dest [file join $saveDir $tail]
1811	if { $share } {
1812	InstallSharedFile $saveDir $file
1813	} else {
1814	file copy -force $file $dest
1815	}
1816	lappend runfiles $tail
1817	}
1818	puts $f [list "Files" $runfiles]
1819	close $f
1820	if { $share } {
1821	file attributes $fileName -permissions o+r,g+rw
1822	}
1823	} errs] != 0 } {
1824	global errorInfo
1825	puts stderr "errs=$errs errorInfo=$errorInfo"
1826	}
1827	}
1828
1829	itcl::body Rappture::Analyzer::EditSimset {} {
1830	set popup .savesimset
1831	if { [winfo exists $popup] } {
1832	destroy $popup
1833	}
1834	# Create a popup for the print dialog
1835	Rappture::Balloon $popup -title "Save set of simulations..."
1836	set inner [$popup component inner]
1837
1838	label $inner.name_l -text "Simulation Set Name"
1839	entry $inner.name -background white
1840	label $inner.desc_l -text "Simulation Set Description" -height 5
1841	text $inner.desc -background white
1842	label $inner.select_l -text "Selected Simulations"
1843	BuildSimulationTable $inner.select
1844	frame $inner.controls
1845	bind $inner.desc <KeyPress> [itcl::code $this CheckSimsetDetails]
1846	bind $inner.name <KeyPress> [itcl::code $this CheckSimsetDetails]
1847	bind $inner.desc <Motion> [itcl::code $this CheckSimsetDetails]
1848	bind $inner.name <Motion> [itcl::code $this CheckSimsetDetails]
1849	button $inner.controls.cancel -text "Cancel" \
1850	-command [itcl::code $this Cancel]
1851	button $inner.controls.save -text "Save" \
1852	-command [itcl::code $this SaveSimulations]
1853	blt::table $inner.controls \
1854	0,0 $inner.controls.cancel \
1855	0,1 $inner.controls.save
1856
1857	blt::table $inner \
1858	0,0 $inner.name_l -anchor ne \
1859	0,1 $inner.name -fill x \
1860	1,0 $inner.desc_l -anchor ne \
1861	1,1 $inner.desc -fill both \
1862	2,0 $inner.select_l -anchor ne \
1863	2,1 $inner.select -fill both \
1864	3,1 $inner.controls -fill x
1865	blt::table configure $inner r1 -height 1i
1866	blt::table configure $inner r2 -pad 20
1867	$popup configure \
1868	-deactivatecommand [itcl::code $this Cancel]
1869
1870	set inner [$popup component inner]
1871	if {[$_resultset size] > 1} {
1872	blt::table $inner \
1873	2,0 $inner.select_l -anchor ne \
1874	2,1 $inner.select -fill both
1875	} else {
1876	blt::table forget $inner.select $inner.select_l
1877	}
1878	CheckSimsetDetails
1879	update
1880	# Activate the popup and call for the output.
1881	$popup activate $itk_component(help) below
1882	Cancel
1883	tkwait variable [itcl::scope _done]
1884	set doSave $_done
1885	$popup deactivate
1886	return $doSave
1887	}
1888
1889
1890	itcl::body Rappture::Analyzer::ReadSimsetFile { fileName } {
1891	if { [catch {
1892	set f [open $fileName "r"]
1893	set contents [read $f]
1894	close $f
1895	array set _saved $contents
1896	} errs] != 0 } {
1897	return 0
1898	}
1899	if { ![info exists _saved(Files)] } {
1900	return 0
1901	}
1902	set saveDir [file dirname $fileName]
1903	foreach file $_saved(Files) {
1904	if { [file pathtype $file] == "relative" } {
1905	set file [file join $saveDir $file]
1906	}
1907	if { ![file readable $file] } {
1908	puts stderr "runfile $file isn't readable"
1909	return 0
1910	}
1911	}
1912	set _saved(FileName) $fileName
1913	return 1
1914	}
1915
1916	#
1917	# Run files can be either explicitly named with their absolute or
1918	# relative path. If the path is relative it is assumed the parent
1919	# directory is relative to the simset file.
1920	#
1921	# /my/path/to/myfile.sav
1922	# /my/path/to/myfile/runfiles...
1923	#
1924	itcl::body Rappture::Analyzer::LoadSimulations { files } {
1925	set loadobjs {}
1926	set saveDir [file dirname $_saved(FileName)]
1927	foreach runfile $files {
1928	if { [file pathtype $runfile] == "relative" } {
1929	set runfile [file join $saveDir $runfile]
1930	}
1931	if { ![file exists $runfile] } {
1932	puts stderr "can't find run: \"$runfile\""
1933	continue
1934	}
1935	set status [catch {Rappture::library $runfile} result]
1936	lappend loadobjs $result
1937	}
1938	clear
1939	foreach runobj $loadobjs {
1940	load $runobj
1941	}
1942	configure -notebookpage analyze
1943	global win
1944	$win.pager configure -nosim 1
1945	$win.pager current analyzer
1946	$win.pager configure -nosim 0
1947	}
1948
1949	#
1950	# Delete selected simulation set.
1951	#
1952	itcl::body Rappture::Analyzer::SelectSimsetForDeletion {} {
1953	if { [FindSimsetsForApp $_appName] == 0 } {
1954	return
1955	}
1956	if { [GetSimset "delete"] } {
1957	set saveDir [file dirname $_saved(FileName)]
1958	file delete -force $saveDir
1959	}
1960	}
1961
1962	#
1963	# Find all .sav files for an application and load them into the tree.
1964	#
1965	itcl::body Rappture::Analyzer::FindSimsetsForApp { appName } {
1966	if { $appName == "" } {
1967	puts stderr "No application name found"
1968	return 0
1969	}
1970	$_tree delete 0
1971	foreach fileName [glob -nocomplain ~/data/saved/$appName//.sav] {
1972	if { [ReadSimsetFile $fileName] } {
1973	if { $_revision > 0 && [info exists _saved(Revision)] &&
1974	$_revision != $_saved(Revision) } {
1975	continue; # Revision doesn't match.
1976	}
1977	$_tree insert 0 -label $_saved(Name) -data [array get _saved]
1978	}
1979	}
1980	return [$_tree degree 0]
1981	}
1982
1983	#
1984	# Create dialog to select a simset from the currently available simsets.
1985	#
1986	itcl::body Rappture::Analyzer::GetSimset { name } {
1987	set popup .selectsimset
1988	if { [winfo exists $popup] } {
1989	destroy $popup
1990	}
1991	# Create a popup for the print dialog
1992	set title [string tolower $name]
1993	Rappture::Balloon $popup -title "Select set of simulations to $title..."
1994	set inner [$popup component inner]
1995
1996	set tv $inner.tv
1997	blt::treeview $inner.tv -tree $_tree \
1998	-height 1i \
1999	-width 5i \
2000	-xscrollcommand [list $inner.xs set] \
2001	-yscrollcommand [list $inner.ys set] \
2002	-font "Arial 10"
2003	scrollbar $inner.xs -orient horizontal -command "$tv xview"
2004	scrollbar $inner.ys -orient vertical -command "$tv yview"
2005	frame $inner.controls
2006
2007	$tv column insert end "Name" "Description" "Date" "Creator"
2008	$tv column configure treeView -hide yes
2009	blt::table $inner \
2010	0,0 $inner.tv -fill both \
2011	0,1 $inner.ys -fill y \
2012	1,0 $inner.xs -fill x
2013	blt::table configure $inner r* c* -resize none
2014	blt::table configure $inner r0 c0 -resize both
2015
2016	button $inner.controls.cancel -text "Cancel" \
2017	-command [itcl::code $this Cancel]
2018	set title [string totitle $name]
2019	button $inner.controls.save -text $title \
2020	-command [itcl::code $this Ok]
2021	blt::table $inner.controls \
2022	0,0 $inner.controls.cancel \
2023	0,1 $inner.controls.save
2024
2025	blt::table $inner \
2026	0,0 $inner.tv -fill both \
2027	0,1 $inner.ys -fill y \
2028	1,0 $inner.xs -fill x \
2029	3,0 $inner.controls -fill x -cspan 2
2030	blt::table configure $inner r* c* -resize none
2031	blt::table configure $inner r0 c0 -resize both
2032	blt::table configure $inner r2 -height 0.1i
2033
2034	$popup configure \
2035	-deactivatecommand [itcl::code $this Cancel]
2036
2037	$tv selection set [$_tree firstchild 0]
2038	set inner [$popup component inner]
2039	update
2040	# Activate the popup and call for the output.
2041	$popup activate $itk_component(help) below
2042	Cancel
2043	tkwait variable [itcl::scope _done]
2044	set result $_done
2045	$popup deactivate
2046	return $result
2047	}
2048
2049	itcl::body Rappture::Analyzer::SelectSimsetForLoading {} {
2050	if { [FindSimsetsForApp $_appName] == 0 } {
2051	return
2052	}
2053	if { [GetSimset "load"] } {
2054	LoadSimulations $_saved(Files)
2055	}
2056	}
2057
2058	itcl::body Rappture::Analyzer::reload { fileName } {
2059	if { [catch {
2060	ReadSimsetFile $fileName
2061	if { [llength $_saved(Files)] > 0 } {
2062	#StartSplashScreen
2063	LoadSimulations $_saved(Files)
2064	#HideSplashScreen
2065	}
2066	} errs] != 0 } {
2067	puts stderr "can't load \"$fileName\": errs=$errs"
2068	}
2069	}
2070
2071	itcl::body Rappture::Analyzer::BuildQuestionDialog { popup } {
2072	toplevel $popup -background grey92 -bd 2 -relief raised
2073	wm withdraw $popup
2074	wm overrideredirect $popup true
2075	set inner $popup
2076	# Create the print dialog widget and add it to the the balloon popup.
2077	label $popup.title -text " " \
2078	-padx 10 -pady 10 \
2079	-background grey92
2080	button $popup.yes -text "Yes" \
2081	-highlightthickness 0 \
2082	-bd 2 \
2083	-command [itcl::code $this Save]
2084	button $popup.no -text "No" \
2085	-highlightthickness 0 \
2086	-bd 2 \
2087	-command [itcl::code $this Cancel]
2088	blt::table $popup \
2089	0,0 $popup.title -cspan 2 -fill x -pady 4 \
2090	1,0 $popup.yes -width { 0 1i .6i } -pady 4 \
2091	1,1 $popup.no -width { 0 1i .6i } -pady 4
2092	blt::table configure $popup r2 -height 0.125i
2093	}
2094
2095	itcl::body Rappture::Analyzer::Save {} {
2096	set _done 1
2097	}
2098
2099	itcl::body Rappture::Analyzer::OverwriteSaveFile {} {
2100	set popup .question
2101	if { ![winfo exists $popup] } {
2102	BuildQuestionDialog $popup
2103	}
2104	set text "Simulation set \"$_saved(Name)\" already exists. Overwrite?"
2105	$popup.title configure -text $text
2106	$popup.yes configure -text "Save"
2107	$popup.no configure -text "Cancel"
2108	set main [winfo toplevel $itk_component(help)]
2109	set pw [winfo reqwidth $popup]
2110	set ph [winfo reqheight $popup]
2111	set sw [winfo reqwidth $main]
2112	set sh [winfo reqheight $main]
2113	set rootx [winfo rootx $main]
2114	set rooty [winfo rooty $main]
2115	set x [expr $rootx + (($sw - $pw) / 2)]
2116	set y [expr $rooty + (($sh - $ph) / 2)]
2117	wm geometry $popup +$x+$y
2118	wm deiconify $popup
2119	update
2120	grab $popup
2121	# Activate the popup and call for the output.
2122	Cancel
2123	tkwait variable [itcl::scope _done]
2124	set doSave $_done
2125	grab release $popup
2126	destroy $popup
2127	return $doSave
2128	}
2129
2130	itcl::body Rappture::Analyzer::InstallSharedFile { installdir file } {
2131	set dst [file join $installdir [file tail $file]]
2132	file copy -force $file $dst
2133	file attributes $dst -permissions g+rw,o+r
2134	return $dst
2135	}
2136
2137	itcl::body Rappture::Analyzer::CreateSharedPath { path } {
2138	set dir ""
2139	foreach file [file split $path] {
2140	set dir [file join $dir $file]
2141	if { [file exists $dir] } {
2142	if { ![file isdirectory $dir] } {
2143	error "error in path \"$path\": \"$dir\" is not a directory."
2144	}
2145	} else {
2146	file mkdir $dir
2147	file attributes $dir -permissions g+rwx,o+rx
2148	}
2149	}
2150	}
2151
2152	itcl::body Rappture::Analyzer::ExportURL { appName installdir } {
2153	set fileName [file join $installdir url.txt]
2154	set name [file tail $installdir]
2155	set f [open $fileName "w"]
2156	puts $f "https://nanohub.org/tools/$appName/invoke?params=file(simset):$installdir/$name.sav\n"
2157	close $f
2158	file attributes $fileName -permissions g+rw,o+r
2159	if { [file exists /usr/bin/exportfile] } {
2160	set msgFile [file join $::Rappture::installdir export.html]
2161	ExportFile $fileName $msgFile
2162	}
2163	}
2164
2165	itcl::body Rappture::Analyzer::ExportFile { src msgFile } {
2166	set dstdir ~/.filexfer/exportfile
2167	file mkdir $dstdir
2168	set dst [file join $dstdir [file tail $src]]
2169	if { [file exists $dst] } {
2170	puts stderr "could be a problem: already waiting to export $dst"
2171	}
2172	file copy -force $src $dst
2173	# Now export the file.
2174	if { [catch {
2175	global exportFileVar
2176	set exportFileVar 0; # Kill any previous export.
2177	set mesg "Select file to export to desktop/laptop"
2178	update
2179	set cmd "/usr/bin/exportfile --delete $dst --timeout 3 "
2180	if { [file exists $msgFile] } {
2181	append cmd "--message $msgFile"
2182	}
2183	blt::bgexec exportFileVar /bin/sh -c $cmd &
2184	} errs] != 0 } {
2185	global errorInfo
2186	puts stderr "err: $errorInfo"
2187	file delete -force $dst
2188	}
2189	}
2190

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source: branches/1.7/gui/scripts/analyzer.tcl @ 6705

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