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source: trunk/expgui @ 250

Last change on this file since 250 was 250, checked in by toby, 14 years ago
# on 2000/07/28 20:29:34, toby did: add phase flag box to histogram page when more than one phase is present define GetPhaseFlags? & SetPhaseFlag? to implement above fix title on edit background label background type (as suggested by Barb & Lachlan) start paring out "shell" capabilities for Mac
Property rcs:author set to `toby` Property rcs:date set to `2000/07/28 20:29:34` Property rcs:lines set to `+117 -49` Property rcs:rev set to `1.30` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.1 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 250 2009-12-04 23:02:54Z toby $
3	set expgui(Revision) {$Revision: 250 $ $Date: 2009-12-04 23:02:54 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	} else {
43	set expgui(expfile) {}
44	}
45
46	set expgui(curhist) {}
47	set expmap(powderlist) {}
48
49	set expgui(debug) 0
50	catch {if $env(DEBUG) {set expgui(debug) 1}}
51	#set expgui(debug) 1
52
53	# default for archive mode = on
54	set expgui(archive) 1
55	# default for autoexec load = off
56	set expgui(autoexpload) 0
57	# save the name of the wish executable
58	set wishshell [info nameofexecutable]
59	# misc constants
60	set txtvw(font) "Courier"
61	set expgui(coordfont) "--courier-bold-r-normal--12-"
62	set expgui(histfont) "--courier-bold-r-normal--12-"
63	set liveplot(hst) 1
64	set liveplot(legend) 1
65	set expgui(filesort) 1
66	set expgui(initstring) {}
67	# use a separate window for DISAGL (default)
68	set expgui(disaglSeparateBox) 1
69	set expgui(DefaultPeakType) 0
70	#=============================================================================
71	#----------------------------------------------------------------
72	# where are we?
73	set expgui(script) [info script]
74	# translate links -- go six levels deep
75	foreach i {1 2 3 4 5 6} {
76	if {[file type $expgui(script)] == "link"} {
77	set link [file readlink $expgui(script)]
78	if { [file pathtype $link] == "absolute" } {
79	set expgui(script) $link
80	} {
81	set expgui(script) [file dirname $expgui(script)]/$link
82	}
83	} else {
84	break
85	}
86	}
87	# fixup relative paths
88	if {[file pathtype $expgui(script)] == "relative"} {
89	set expgui(script) [file join [pwd] $expgui(script)]
90	}
91	set expgui(scriptdir) [file dirname $expgui(script) ]
92	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
93	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
94	#----------------------------------------------------------------
95	lappend auto_path $expgui(scriptdir)
96	set expgui(havetix) 0
97	set expgui(haveBW) 1
98	# for debugging non-BWidget version set environment variable NOBWIDGET
99	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
100	if $expgui(haveBW) {
101	if [catch {package require BWidget}] {set expgui(haveBW) 0}
102	}
103	# get the notebook widget if not using BWidgets
104	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
105	#----------------------------------------------------------------
106	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
107	source [file join $expgui(scriptdir) opts.tcl]
108	}
109	# fetch EXP file processing routines
110	source [file join $expgui(scriptdir) readexp.tcl]
111	# commands for running GSAS programs
112	source [file join $expgui(scriptdir) gsascmds.tcl]
113	# contents of GSAS menus
114	source [file join $expgui(scriptdir) gsasmenu.tcl]
115	# commands for adding phases, histograms & atoms
116	source [file join $expgui(scriptdir) addcmds.tcl]
117	# commands for preferred orientation
118	source [file join $expgui(scriptdir) orient.tcl]
119	#---------------------------------------------------------------------------
120	# override options with locally defined values
121	if [file exists [file join $expgui(scriptdir) localconfig]] {
122	source [file join $expgui(scriptdir) localconfig]
123	}
124	if [file exists [file join ~ .gsas_config]] {
125	source [file join ~ .gsas_config]
126	}
127	if {$tcl_platform(platform) == "windows"} {
128	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
129	} else {
130	set expgui(exptool) [file join $expgui(gsasexe) exptool]
131	}
132	#---------------------------------------------------------------------------
133	if {$expgui(expfile) != ""} {
134	if ![file exists $expgui(expfile)] {
135	update
136	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
137	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
138	error 0 "Create" "Open other"]
139	if $ans {set expgui(expfile) {}}
140	}
141	}
142	if {$expgui(expfile) == ""} {
143	# center the parent window because the getExpFileName window
144	# will be centered above it.
145	wm withdraw .
146	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
147	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
148	wm geom . +$x+$y
149	wm deiconify .
150	# windows needed this update before when using tk_getOpenFile.
151	# I am not sure it is still needed.
152	update
153	#
154	set expgui(expfile) [getExpFileName old]
155	}
156	if {$expgui(expfile) == ""} exit
157	# you've been warned this .EXP does not exist!
158	if ![file exists $expgui(expfile)] {
159	# create an "empty" exp file
160	createexp $expgui(expfile) \
161	[getstring "title for experiment $expgui(expfile)" 60 0]
162	}
163	catch {cd [string trim [file dirname $expgui(expfile)]]}
164
165	#
166	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
167	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
169	# load exp file and set up dialogs
170	proc loadexp {expfile} {
171	global expgui expmap entryvar entrycmd tcl_platform
172	set exploadtime [time {set fmt [expload $expfile]}]
173	if $expgui(debug) {puts "expload $exploadtime"}
174	# if the file was not in the correct format, force a rewrite before use
175	if {$fmt < 0} {
176	# read error
177	return
178	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
179	set expgui(changed) 1
180	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
181	set expgui(changed) 1
182	} else {
183	set expgui(changed) 0
184	}
185
186	# force exp files to be upper case, force save if name changes
187	set filetail [file tail $expfile]
188	set filetailcaps [string toupper $filetail]
189	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
190	set expgui(changed) 1
191	}
192	if {[file dirname $expfile] == "."} {
193	set expgui(expfile) $filetailcaps
194	} else {
195	set expgui(expfile) [file join \
196	[file dirname $expfile] $filetailcaps]
197	}
198
199	mapexp
200	set expgui(expModifiedLast) 0
201	catch {
202	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
203	}
204	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
205	# set the window/icon title
206	wm title . "EXPGUI $expfile"
207	set expgui(titleunchanged) 1
208	wm iconname . [file tail $expfile]
209
210	# set the number of phases on the phase page
211	setphases
212
213	# disable the "global options" that don't make sense based on
214	# which histograms present
215	foreach num {1 2 3 4 5} {
216	set flag($num) 0
217	}
218	# save a list of the allowed modes, too
219	set expgui(AllowedHistSelectModes) {0 6}
220	foreach h $expmap(powderlist) {
221	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
222	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
223	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
224	[histinfo $h lam2] != 0.0} {set flag(3) 1}
225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
226	[histinfo $h lam2] == 0.0} {set flag(4) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
228	}
229	foreach num {1 2 3 4 5} \
230	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
231	"Energy Disp Xray"} {
232	if $flag($num) {
233	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
234	lappend expgui(AllowedHistSelectModes) $num
235	} else {
236	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
237	}
238	}
239	# disable traces on entryvar until we are ready
240	set entrycmd(trace) 0
241	trace vdelete entryvar w entvartrace
242
243	# propogate changes on the least squares page
244	set entryvar(cycles) [expinfo cycles]
245	set entrycmd(cycles) "expinfo cycles"
246	# set expgui(globalmode) 0
247	set expgui(printopt) "Print Options ([expinfo print])"
248	set entryvar(title) [expinfo title]
249	global printopts
250	foreach num [array names printopts] {
251	set entrycmd(printopt$num) "printsetting $num"
252	set entryvar(printopt$num) [printsetting $num]
253	}
254	# enable traces on entryvar
255	set entrycmd(trace) 1
256	trace variable entryvar w entvartrace
257
258	# set fo extraction on LS page
259	SetupExtractHist
260
261	# update the histogram list & update the page
262	sethistlist
263
264	# start checking for external changes
265	afterawhile
266	}
267
268	# called to reread the .EXP file
269	proc rereadexp {expfile} {
270	global expgui
271	if $expgui(changed) {
272	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
273	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
274	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
275	switch $decision {
276	0 { savearchiveexp }
277	1 { }
278	2 { return }
279	}
280	}
281	loadexp $expgui(expfile)
282	}
283
284	proc SaveAsFile {} {
285	global expgui
286	set newexpfile [getExpFileName new]
287	if {$newexpfile == ""} return
288	expwrite $newexpfile
289	set expgui(expfile) $newexpfile
290	catch {cd [string trim [file dirname $expgui(expfile)]]}
291	set expgui(changed) 0
292	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
293	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
294	# set the window/icon title
295	wm title . $expgui(expfile)
296	set expgui(titleunchanged) 1
297	wm iconname . [file tail $expgui(expfile)]
298	}
299
300	# called to read a different .EXP file
301	proc readnewexp {} {
302	global expgui expmap
303	if $expgui(changed) {
304	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
305	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
306	{} 0 "Save and read" "Read without Save" "Cancel read command"]
307	switch $decision {
308	0 { savearchiveexp }
309	1 { }
310	2 { return }
311	}
312	}
313	set newexpfile [getExpFileName old]
314	if {$newexpfile == ""} return
315
316	# switch to the 1st page
317	RaisePage lsFrame
318
319	if ![file exists $newexpfile] {
320	# you've been warned this .EXP does not exist!
321	# create an "empty" exp file
322	createexp $newexpfile \
323	[getstring "title for experiment $newexpfile" 60 0]
324	}
325	set expgui(expfile) $newexpfile
326	catch {cd [string trim [file dirname $expgui(expfile)]]}
327	set expgui(globalmode) 0
328	loadexp $expgui(expfile)
329
330	# select the 1st phase
331	SelectOnePhase [lindex $expmap(phaselist) 0]
332	# select the first histogram in the list by default (if there are any)
333	if {[llength $expmap(histlistboxcontents)] > 0} {
334	set expgui(curhist) 0
335	} else {
336	set expgui(curhist) {}
337	}
338	if {[CountHistory] > 100} {
339	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
340	}
341	}
342
343	#------------- set up data read/write layer ----------------------
344	# trace routine on entryvar
345	proc entvartrace {array elem action} {
346	global expgui entrycmd entryvar
347	if !$entrycmd(trace) return
348
349	catch {
350	if {$entrycmd($elem) == ""} return
351	incr expgui(changed)
352	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
353	if {$entrycmd($elem) == ""} return
354	if [catch {
355	eval $entrycmd($elem) set [list $entryvar($elem)]
356	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
357	after idle {DisplayAllAtoms noreset}
358	}
359	} errmsg] {puts "entvartrace error: $errmsg"}
360	}
361	}
362
363	# disable traces on entryvar until we are ready
364	set entrycmd(trace) 0
365	trace variable entryvar w entvartrace
366
367	#
368	#
369	#
370	##############################################################################
371	##### #####################################################
372	##### PROCEDURES SECTION #####################################################
373	##### #####################################################
374	##############################################################################
375	# reset routine is used for debugging
376	proc reset {} {
377	global expgui script argv
378	set script $expgui(script)
379	set argv $expgui(expfile)
380	# remove traces
381	global entryvar
382	foreach cmd [trace vinfo entryvar] {
383	eval trace vdelete entryvar $cmd
384	}
385	global expgui
386	foreach cmd [trace vinfo expgui(backterms)] {
387	eval trace vdelete entryvar $cmd
388	}
389	foreach cmd [trace vinfo expgui(backtype)] {
390	eval trace vdelete entryvar $cmd
391	}
392	foreach a {
393	expmap expgui entryvar entrycmd
394	expgui_menulist expgui_cmdlist expgui_helplist
395	} {
396	global $a
397	catch {unset $a}
398	}
399	foreach w [winfo children .] {
400	destroy $w
401	}
402
403	uplevel #0 {source $script}
404	}
405
406	# save some of the global options in ~/.gsas_config
407	proc SaveOptions {} {
408	global expgui env tcl_platform
409	set fp [open [file join ~ .gsas_config] a]
410	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
411	puts $fp "set expgui($item) $expgui($item)"
412	}
413	if {$tcl_platform(platform) != "windows"} {
414	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
415	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
416	}
417	close $fp
418	}
419
420	proc About { } {
421	global expgui expmap
422	tk_dialog .about {About...} \
423	"EXPGUI\n\
424	Jonathan Wasserman and Brian Toby\n\
425	NIST Center for Neutron Research\n\n\
426	2000, Not subject to copyright\n\n\
427	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
428	Generalized Structure Analysis System (GSAS)\n\
429	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
430	" \
431	info 0 OK
432	}
433
434	# wait until idle
435	proc afterawhile {} {
436	# cancel any other instances of this loop
437	after cancel afterawhile
438	after cancel whenidle
439	after cancel whenidle
440	after idle whenidle
441	}
442
443	# This is called every 2 seconds to check for changes to the .EXP file
444	proc whenidle {} {
445	global expgui
446	if $expgui(titleunchanged) {
447	if {$expgui(changed) != 0} {
448	wm title . "$expgui(expfile) (modified)"
449	set expgui(titleunchanged) 0
450	}
451	}
452	if {$expgui(expModifiedLast) == 0} {
453	after 2000 afterawhile
454	return
455	}
456	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
457	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
458	if {$ans == 0} {
459	loadexp $expgui(expfile)
460	} elseif {$ans == 1} {
461	# reset the time to the next version
462	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
463	} elseif {$ans == 2} {
464	savearchiveexp
465	}
466	}
467	after 2000 afterawhile
468	}
469
470	# place a message about changes over the main window
471	proc ReloadExpMsg {file changes} {
472	global expgui tcl_platform
473	set msg "File $file has been modified by another program"
474	if {$changes == 1} {
475	append msg " and you have made a change to this version.\n"
476	} elseif {$changes > 0} {
477	append msg " and you have made $changes changes to this version.\n"
478	} else {
479	append msg ".\n"
480	}
481	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
482
483	set w .ask
484	catch {destroy $w}
485	toplevel $w -class Dialog
486	wm title $w "Reload?"
487	wm iconname $w "Reload?"
488	wm protocol $w WM_DELETE_WINDOW { }
489	wm transient $w .
490	frame $w.bot
491	pack $w.bot -side bottom
492	frame $w.top
493	pack $w.top -side top -fill both -expand 1
494	label $w.top.msg -justify left \
495	-wraplength 5i -font {Times 18} \
496	-text $msg
497	if {$tcl_platform(platform) == "windows"} {
498	$w.top.msg config -font {Times 14}
499	}
500	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
501	pack [button $w.bot.1 -text "Load new" \
502	-default active -command "set expgui(dialogbutton) 0" \
503	] -side left -expand 1 -padx 3m -pady 2m
504	pack [button $w.bot.2 -text "Continue with old" \
505	-command "set expgui(dialogbutton) 1"] \
506	-side left -expand 1 -padx 3m -pady 2m
507	if {$changes > 0} {
508	pack [button $w.bot.3 -text "Save edited version" \
509	-command "set expgui(dialogbutton) 2"] \
510	-side left -expand 1 -padx 3m -pady 2m
511	}
512	# Create a binding for <Return> on the dialog
513	bind $w <Return> "tkButtonInvoke $w.bot.1"
514	wm withdraw $w
515	update idletasks
516
517	# for windows put the box in the upper left, for
518	# unix center it over the parent (in unix it appears later)
519	#if {$tcl_platform(platform) == "windows"} {
520	#wm geom $w +0+0
521	#} else {
522
523	# for now, always center the message over the main window
524	# center the new window in the middle of the parent
525	set x [expr [winfo x .] + [winfo width .]/2 - \
526	[winfo reqwidth $w]/2 - [winfo vrootx .]]
527	set y [expr [winfo y .] + [winfo height .]/2 - \
528	[winfo reqheight $w]/2 - [winfo vrooty .]]
529	wm geom $w +$x+$y
530	#}
531	wm deiconify $w
532
533	# Grab the focus
534	set oldFocus [focus]
535	set oldGrab [grab current $w]
536	if {[string compare $oldGrab ""]} {
537	set grabStatus [grab status $oldGrab]
538	}
539	grab $w
540	focus $w.bot.1
541	# for windows rearrange window stacking
542	if {$tcl_platform(platform) == "windows"} {
543	lower .
544	raise $w .
545	}
546	update idletasks
547
548	tkwait variable expgui(dialogbutton)
549	catch {focus $oldFocus}
550	destroy $w
551	if {[string compare $oldGrab ""]} {
552	if {![string compare $grabStatus "global"]} {
553	grab -global $oldGrab
554	} else {
555	grab $oldGrab
556	}
557	}
558	raise .
559	return $expgui(dialogbutton)
560	}
561
562	# -------- called to confirm before exiting
563	proc catchQuit {} {
564	if {[confirmBeforeSave] == "Continue"} {
565	destroy .
566	}
567	}
568	# save the .EXP file before exiting?
569	proc confirmBeforeSave {} {
570	global expgui
571	if !$expgui(changed) {
572	return "Continue"
573	}
574	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
575	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
576	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
577	switch $decision {
578	0 { savearchiveexp; return "Continue" }
579	1 { return "Continue" }
580	2 { return "Cancel" }
581	}
582	}
583
584	proc archiveexp {} {
585	global expgui tcl_platform
586	# is there a file to archive
587	if {![file exists $expgui(expfile)]} return
588	catch {
589	set expnam [file rootname $expgui(expfile)]
590	if {$tcl_platform(platform) == "windows"} {
591	set version -1
592	catch {source $expnam.version}
593	incr version
594	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
595	# archive w/o pkzip
596	set file $expnam![format "%3.3d" $version].EXP
597	file copy -force $expnam.EXP $file
598	set fp [open $expnam.lst a]
599	puts $fp "\n--------------------------------------------------------------"
600	puts $fp "Archiving $expnam.EXP as $file"
601	puts $fp "--------------------------------------------------------------\n"
602	close $fp
603	} else {
604	# archive with PKZIP
605	# need to limit expnam to 8 characters
606	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
607	# PKZIP can't handle long dir names either
608	cd [set dir [file dirname $expnam]]
609	set file $sexp.[format "%3.3d" $version]
610	file copy -force $expnam.EXP $file
611	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
612	set fp [open $expnam.lst a]
613	puts $fp "\n--------------------------------------------------------------"
614	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
615	puts $fp "--------------------------------------------------------------\n"
616	close $fp
617	}
618	set fp [open $expnam.version w]
619	puts $fp "set version $version"
620	close $fp
621	} else {
622	set files [glob -nocomplain $expnam.EXP.*]
623	if {$files == ""} {
624	set file $expnam.EXP.000
625	} else {
626	set file [lindex [lsort -decreasing $files] 0]
627	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
628	incr number
629	set file $expnam.EXP.[format "%3.3d" $number]
630	}
631	file copy $expgui(expfile) $file
632	if [catch {exec gzip $file}] {
633	exec echo "\n----------------------------------------------" >> $expnam.LST
634	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
635	exec echo "----------------------------------------------\n" >> $expnam.LST
636	} else {
637	exec echo "\n----------------------------------------------" >> $expnam.LST
638	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
639	exec echo "----------------------------------------------\n" >> $expnam.LST
640	}
641	}
642	} errmsg
643	if {$errmsg != ""} {
644	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
645	}
646	}
647
648	# save and optionally archive the expfile
649	proc savearchiveexp {} {
650	global expgui expmap
651	if !$expgui(changed) return
652	if $expgui(archive) archiveexp
653	# add a history record
654	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
655	# now save the file
656	expwrite $expgui(expfile)
657	set expgui(changed) 0
658	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
659	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
660	wm title . $expgui(expfile)
661	set expgui(titleunchanged) 1
662	}
663
664	# setup buttons for each phase on the phase page
665	proc setphases {} {
666	global expgui expmap
667	eval destroy [winfo children $expgui(phaseFrame).top.ps]
668	foreach num $expmap(phaselist) type $expmap(phasetype) {
669	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
670	-command "SelectOnePhase $num"] -side left
671	if {$type > 3} {
672	$expgui(phaseFrame).top.ps.$num config -state disabled
673	}
674	}
675	}
676
677	# Procedure to respond to changes the phase.
678	# This loads the "phases" widgets with data corresponding to the selected phase.
679	proc SelectOnePhase {num} {
680	global entryvar entrycmd expmap expgui
681	set crsPhase {}
682	foreach n $expmap(phaselist) type $expmap(phasetype) {
683	if {$n == $num && $type <= 3} {
684	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
685	set crsPhase $num
686	if {$type == 3} {
687	set expgui(phasetype) "Magnetic\nOnly"
688	} elseif {$type == 2} {
689	set expgui(phasetype) "Magnetic\n& Nuclear"
690	} elseif {$type == 4} {
691	# this is not used at present
692	set expgui(phasetype) "Macromolecular"
693	} else {
694	set expgui(phasetype) ""
695	}
696	} else {
697	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
698	}
699	}
700	# no phase is selected
701	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
702	# disable traces on entryvar
703	set entrycmd(trace) 0
704	set entrycmd(phasename) ""
705	set entryvar(phasename) ""
706	foreach ent {a b c alpha beta gamma cellref celldamp} {
707	set entrycmd($ent) ""
708	set entryvar($ent) ""
709	}
710	set expgui(curPhase) {}
711	# enable traces on entryvar
712	set entrycmd(trace) 1
713	$expgui(EditingAtoms) config -text ""
714	DisplayAtom 0 0
715	DisplayU 0 0
716	DisplayRefFlags 0 0
717	$expgui(atomlistbox) delete 0 end
718	return
719	}
720
721	set expgui(curPhase) $crsPhase
722	# we have a phase
723
724	# disable traces on entryvar for right now
725	set entrycmd(trace) 0
726
727	##########################################################
728	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
729	##########################################################
730	# phase title
731	set entrycmd(phasename) "phaseinfo $crsPhase name"
732	set entryvar(phasename) [phaseinfo $crsPhase name]
733	# cell parameters & flags
734	foreach ent {a b c alpha beta gamma cellref celldamp} {
735	set entrycmd($ent) "phaseinfo $crsPhase $ent"
736	set entryvar($ent) [phaseinfo $crsPhase $ent]
737	}
738
739	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
740	# initialize to diasbled
741	DisplayAtom 0 0
742	DisplayU 0 0
743	DisplayRefFlags 0 0
744	$expgui(EditingAtoms) config -text ""
745
746	DisplayAllAtoms
747
748	# enable traces on entryvar now
749	set entrycmd(trace) 1
750	}
751
752	set expgui(noreenterDisplayAllAtoms) 0
753	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
754	proc DisplayAllAtoms {"mode reset"} {
755	global entryvar entrycmd expmap expgui
756	# if it does not show, dont bother
757	if {$expgui(pagenow) != "phaseFrame"} return
758	if {$expgui(curPhase) == ""} return
759	if $expgui(noreenterDisplayAllAtoms) return
760
761	set expgui(noreenterDisplayAllAtoms) 1
762	if {$mode != "reset"} {
763	# save the scrolled position
764	set pos [lindex [$expgui(atomlistbox) yview] 0]
765	} else {
766	# this is a reset -- clear the selected atoms list
767	set expgui(selectedatomlist) {}
768	}
769	$expgui(atomlistbox) delete 0 end
770	# loop over atoms
771	set maxline I
772	set phase $expgui(curPhase)
773	set atomlist {}
774	set typehead "type "
775	set namehead " name "
776	set multhead "Mult"
777	set coordhead " "
778	if {$expgui(asorttype) == "type"} {
779	# sort on atom type
780	set typehead "type* "
781	foreach atom $expmap(atomlist_$phase) {
782	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
783	}
784	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
785	} elseif {$expgui(asorttype) == "number"} {
786	# sort on atom number
787	set namehead "* name "
788	foreach atom $expmap(atomlist_$phase) {
789	lappend atomlist "$atom $atom $phase"
790	}
791	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
792	} elseif {$expgui(asorttype) == "mult"} {
793	# sort on atom number
794	set multhead "Mlt*"
795	foreach atom $expmap(atomlist_$phase) {
796	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
797	}
798	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
799	} elseif {$expgui(asorttype) == "x"} {
800	# sort on x
801	set coordhead "(x*)"
802	foreach atom $expmap(atomlist_$phase) {
803	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
804	}
805	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
806	} elseif {$expgui(asorttype) == "y"} {
807	# sort on y
808	set coordhead "(y*)"
809	foreach atom $expmap(atomlist_$phase) {
810	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
811	}
812	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
813	} elseif {$expgui(asorttype) == "z"} {
814	# sort on z
815	set coordhead "(z*)"
816	foreach atom $expmap(atomlist_$phase) {
817	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
818	}
819	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
820	} else {
821	error "Bad expgui(asorttype) = $expgui(asorttype)"
822	}
823
824	foreach tuple $expmap(atomlistboxcontents) {
825	set atom [lindex $tuple 0]
826	set phase [lindex $tuple 2]
827	set refflag {}
828	foreach type {x u f} {
829	if {[atominfo $phase $atom ${type}ref]} {
830	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
831	} else {
832	append refflag " [atominfo $phase $atom ${type}damp] "
833	}
834	}
835	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
836	$atom \
837	[atominfo $phase $atom label] \
838	[atominfo $phase $atom type] \
839	$refflag \
840	[atominfo $phase $atom x] \
841	[atominfo $phase $atom y] \
842	[atominfo $phase $atom z] \
843	[atominfo $phase $atom mult] \
844	[atominfo $phase $atom frac]
845	]
846
847	# add temperature factors (iso/anoiso)
848	if {[atominfo $phase $atom temptype] == "A"} {
849	set maxline A
850	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
851	[atominfo $phase $atom U11] \
852	[atominfo $phase $atom U22] \
853	[atominfo $phase $atom U33] \
854	[atominfo $phase $atom U12] \
855	[atominfo $phase $atom U23] \
856	[atominfo $phase $atom U13]
857	]
858	} else {
859	append line [format " %9.5f" \
860	[atominfo $phase $atom Uiso]
861	]
862	}
863	$expgui(atomlistbox) insert end $line
864	}
865	$expgui(atomtitle) delete 0 end
866	if {$maxline == "A"} {
867	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
868	$namehead $typehead "ref/damp " \
869	"fractional coordinates$coordhead" \
870	"$multhead Occupancy" \
871	"Uiso/Uij "]
872	} else {
873	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
874	$namehead $typehead "ref/damp " \
875	"fractional coordinates$coordhead" \
876	"$multhead Occupancy" \
877	"Uiso"]
878	}
879	if {$mode != "reset"} {
880	# restore the selected items
881	foreach i $expgui(selectedatomlist) {
882	$expgui(atomlistbox) selection set $i
883	}
884	# restore the last scrolled position
885	$expgui(atomlistbox) yview moveto $pos
886	}
887	set expgui(noreenterDisplayAllAtoms) 0
888	}
889
890	# Procedure to select all atoms in response to a right-click
891	proc SelectAllAtoms {} {
892	global expgui
893	$expgui(atomlistbox) selection set 0 end
894	# call editRecord in case trace was called before the selection was made
895	editRecord
896	}
897
898	# Procedure to respond to left mouse release in the atoms Pane
899	proc editRecord { args } {
900	global entrycmd expgui
901	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
902	# disable traces on entryvar for right now
903	set entrycmd(trace) 0
904
905	if {[llength $expgui(selectedatomlist)] == 0} {
906	puts "How did this happen: [$expgui(atomlistbox) curselection]"
907	} elseif {[llength $expgui(selectedatomlist)] == 1} {
908	editOneRecord $expgui(selectedatomlist)
909	} else {
910	editMultipleRecords $expgui(selectedatomlist)
911	}
912	# reenable traces on entryvar
913	set entrycmd(trace) 1
914	# repaint the atoms box in case anything was changed
915	# DisplayAllAtoms noreset
916	}
917
918	proc editOneRecord { AtomIndex } {
919	global expmap expgui
920	# get atom number & phase
921	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
922	set atomnum [lindex $tuple 0]
923	set p [lindex $tuple 2]
924	DisplayU $atomnum $p
925	DisplayAtom $atomnum $p
926	DisplayRefFlags $atomnum $p
927	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
928	}
929
930	# this will not work for a multi-phase list of atoms (yet)
931	proc editMultipleRecords { AtomIndexList } {
932	global expmap expgui
933	set numberList {}
934	# current phase
935	set p $expgui(curPhase)
936	foreach AtomIndex $AtomIndexList {
937	# get atom number & phase
938	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
939	lappend numberList [lindex $tuple 0]
940	# set p [lindex $tuple 2]
941	}
942	# this needs to track by phase
943	$expgui(EditingAtoms) config -text \
944	"Set refinement options: atoms [CompressList $numberList]"
945	DisplayU 0 0
946	DisplayAtom 0 0
947	# this needs to track by phase
948	DisplayRefFlags $numberList $p
949	}
950
951	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
952	# becomes "1-4,6,7,13-15,19"
953	proc CompressList {numberList} {
954	# format the number list to save space
955	set lastnum -99
956	set flist {}
957	set count 0
958	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
959	foreach num $sortlist {
960	set next [expr $lastnum+1]
961	if {$num != $next} {
962	if {$count == 0 && $flist != ""} {
963	append flist ",$num"
964	} elseif {$count == 1 && $flist != ""} {
965	append flist ",$lastnum,$num"
966	} elseif {$flist != ""} {
967	append flist "-$lastnum,$num"
968	} else {
969	append flist "$num"
970	}
971	set lastnum $num
972	set count 0
973	} else {
974	incr count
975	incr lastnum
976	}
977	}
978	if {$count == 1 && $flist != ""} {
979	append flist ",$lastnum"
980	} elseif {$flist != "" && $count > 1} {
981	append flist "-$lastnum"
982	}
983	return $flist
984	}
985
986	# Procedure to display Isotropic or Anisotropic temperature factors
987	# Changes the display to one entry widget for Isotropic motion OR
988	# 6 entry widgets for Anisotropic motion in Frame3.
989	# or disables the widet entirly if atom = 0
990	proc DisplayU { atomnum p} {
991	global expgui entryvar entrycmd
992	if {$atomnum == 0} {
993	set iOrA disable
994	} else {
995	set iOrA [atominfo $p $atomnum temptype]
996	}
997
998	set firstbox [lindex $expgui(anisolabels) 0]
999	if { $iOrA == "A" } {
1000	$firstbox config -text "U11 "
1001	foreach item $expgui(anisolabels) {
1002	$item config -fg black
1003	}
1004	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1005	set entrycmd($var) "atominfo $p $atomnum $var"
1006	set entryvar($var) [eval $entrycmd($var)]
1007	$item config -fg black -state normal -bg white
1008	}
1009	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1010	foreach item $expgui(anisolabels) {
1011	# $item config -fg grey
1012	$item config -fg beige
1013	}
1014	foreach item [lrange $expgui(anisoentry) 1 end] \
1015	var {U22 U33 U12 U13 U23} {
1016	set entrycmd($var) ""
1017	set entryvar($var) ""
1018	$item config -fg beige -bg beige -state disabled
1019	}
1020	if { $iOrA == "disable"} {
1021	set entrycmd($var) ""
1022	set entryvar($var) ""
1023	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1024	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1025	} else {
1026	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1027	set entryvar(U11) [eval $entrycmd(U11)]
1028	$firstbox config -text Uiso -fg black
1029	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1030	}
1031	}
1032	}
1033
1034	# need to think about multiple phases
1035
1036	# Procedure to display refinement flags
1037	proc DisplayRefFlags { atomnum p} {
1038	global expgui entryvar entrycmd
1039	if {$atomnum == 0} {
1040	foreach label $expgui(atomreflbl) {
1041	$label config -fg beige
1042	}
1043	foreach entry $expgui(atomref) {
1044	$entry config -state disabled -fg beige -bg beige
1045	}
1046	return
1047	}
1048	foreach label $expgui(atomreflbl) {
1049	$label config -fg black
1050	}
1051	foreach entry $expgui(atomref) {
1052	$entry config -state normal -fg black -bg beige
1053	}
1054	foreach var {xref uref fref xdamp udamp fdamp} {
1055	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1056	set entryvar($var) [eval $entrycmd($var)]
1057	}
1058	}
1059
1060	# Procedure to display an atom in the atom edit boxes
1061	proc DisplayAtom { atomnum p} {
1062	global expgui entryvar entrycmd
1063	if {$atomnum == 0} {
1064	foreach label $expgui(atomlabels) {
1065	$label config -fg beige
1066	}
1067	foreach entry $expgui(atomentry) {
1068	$entry config -state disabled -fg beige -bg beige
1069	}
1070	return
1071	}
1072	foreach label $expgui(atomlabels) {
1073	$label config -fg black
1074	}
1075	foreach entry $expgui(atomentry) {
1076	$entry config -state normal -fg black -bg white
1077	}
1078	foreach var {x y z label frac } {
1079	set entrycmd($var) "atominfo $p $atomnum $var"
1080	set entryvar($var) [eval $entrycmd($var)]
1081	}
1082	}
1083
1084	# make a histogram box; used in MakeHistPane,
1085	proc MakeHistBox {frm} {
1086	global expgui
1087	grid [label $frm.mode -text "Select a Histogram" \
1088	-bg beige -anchor center] \
1089	-row 0 -column 0 -columnspan 2 -sticky ew
1090	bind $frm.mode <Button-1> {
1091	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1092	set expgui(globalmode) [lindex \
1093	"$expgui(AllowedHistSelectModes) \
1094	$expgui(AllowedHistSelectModes)" [incr i]]
1095	sethistlist
1096	}
1097	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1098	grid [listbox $frm.title -height 1 -relief flat \
1099	-exportselection 0 \
1100	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1101	grid [listbox $frm.lbox -height 10 -width 25 \
1102	-exportselection 0 \
1103	-font $expgui(histfont) \
1104	-xscrollcommand "$frm.x set" \
1105	-yscrollcommand "$frm.y set" \
1106	] -row 2 -column 0 -sticky news
1107	lappend expgui(HistSelectList) $frm
1108	grid [scrollbar $frm.x -orient horizontal \
1109	-command "move2boxes \" $frm.title $frm.lbox \" "
1110	] -row 3 -column 0 -sticky ew
1111	grid [scrollbar $frm.y \
1112	-command "$frm.lbox yview"] \
1113	-row 2 -column 1 -sticky ns
1114	grid columnconfigure $frm 0 -weight 1
1115	grid rowconfigure $frm 2 -weight 1
1116	}
1117
1118	# update the histogram list
1119	# to do: show histogram ref flags?
1120	proc sethistlist {} {
1121	global expgui expmap
1122	array set lbl {
1123	1 "Select 1 or more\nTOF Histograms"
1124	2 "Select 1 or more\nCW Neutron Histograms"
1125	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1126	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1127	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1128	6 "Select 1 or more of\n any type Histograms"
1129	}
1130	foreach lbox $expgui(HistSelectList) {
1131	$lbox.title delete 0 end
1132	$lbox.lbox delete 0 end
1133	if {$expgui(globalmode) != 0} {
1134	$lbox.lbox config -selectmode extended
1135	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1136	} else {
1137	$lbox.lbox config -selectmode browse
1138	$lbox.mode config -text "Select a histogram" -bg beige
1139	}
1140	}
1141	# disable the unallowed pages in all mode
1142	if {$expgui(globalmode) == 6} {
1143	foreach pair $expgui(GlobalModeAllDisable) {
1144	if {$expgui(pagenow) == [lindex $pair 0]} {
1145	RaisePage lsFrame
1146	}
1147	eval [lindex $pair 1] -state disabled
1148	}
1149	} else {
1150	foreach pair $expgui(GlobalModeAllDisable) {
1151	eval [lindex $pair 1] -state normal
1152	}
1153	}
1154	set histlist {}
1155	if {$expgui(hsorttype) == "type"} {
1156	# sort on histogram type
1157	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1158	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1159	}
1160	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1161	} elseif {$expgui(hsorttype) == "number"} {
1162	# sort on histogram number
1163	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1164	lappend histlist "$h $h"
1165	}
1166	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1167	} elseif {$expgui(hsorttype) == "bank"} {
1168	# sort on original bank number
1169	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1170	lappend histlist "$h [histinfo $h bank]"
1171	}
1172	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1173	} elseif {$expgui(hsorttype) == "angle"} {
1174	# sort on wavelength (CW) or angle (E disp.)
1175	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1176	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1177	set det [format %8.2f [histinfo $h tofangle]]
1178	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1179	set det [format %8.5f [histinfo $h lam1]]
1180	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1181	set det [format %8.2f [histinfo $h lam1]]
1182	} else {
1183	set det {}
1184	}
1185	lappend histlist "$h $det"
1186	}
1187	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1188	}
1189
1190	# title field needs to match longest title
1191	foreach lbox $expgui(HistSelectList) {
1192	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1193	"h#" \
1194	type \
1195	bank \
1196	"ang/wave" \
1197	" title" \
1198	]
1199	}
1200	foreach tuple $expmap(histlistboxcontents) {
1201	set h [lindex $tuple 0]
1202
1203	if {$expgui(globalmode) == 1} {
1204	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1205	} elseif {$expgui(globalmode) == 2} {
1206	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1207	} elseif {$expgui(globalmode) == 3} {
1208	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1209	[histinfo $h lam2] == 0.0} continue
1210	} elseif {$expgui(globalmode) == 4} {
1211	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1212	[histinfo $h lam2] != 0.0} continue
1213	} elseif {$expgui(globalmode) == 5} {
1214	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1215	}
1216
1217	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1218	set det [format %8.2f [histinfo $h tofangle]]
1219	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1220	set det [format %8.5f [histinfo $h lam1]]
1221	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1222	set det [format %8.2f [histinfo $h lam1]]
1223	} else {
1224	set det {}
1225	}
1226	foreach lbox $expgui(HistSelectList) {
1227	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1228	$h \
1229	[string range $expmap(htype_$h) 1 2] \
1230	[histinfo $h bank] \
1231	$det \
1232	[string range [histinfo $h title] 0 66] \
1233	]
1234	}
1235	}
1236	UpdateCurrentPage
1237	}
1238
1239	proc UpdateCurrentPage {} {
1240	global expgui
1241	foreach set $expgui(frameactionlist) {
1242	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1243	}
1244	}
1245
1246	#-----------------------------------------------------------------------
1247	# ----------- draw Histogram page
1248	#-----------------------------------------------------------------------
1249	proc DisplayHistogram {} {
1250	global expgui entrycmd entryvar expmap
1251
1252	# trap if more than one histogram is selected unless global mode
1253	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1254	set expgui(curhist) [lindex $expgui(curhist) 0]
1255	}
1256
1257	# display the selected histograms
1258	$expgui(histFrame).hs.lbox selection clear 0 end
1259	foreach h $expgui(curhist) {
1260	$expgui(histFrame).hs.lbox selection set $h
1261	}
1262
1263	# disable traces on entryvar for right now
1264	set entrycmd(trace) 0
1265
1266	# get histogram list
1267	set histlist {}
1268	foreach item $expgui(curhist) {
1269	lappend histlist [lindex $expmap(powderlist) $item]
1270	}
1271	# must have at least one histogram selected here
1272	if {[llength $histlist] == 0} {
1273	set expgui(backtermlbl) ""
1274	set expgui(backtypelbl) ""
1275	foreach var {bref bdamp} {
1276	set entrycmd($var) ""
1277	set entryvar($var) ""
1278	}
1279	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1280	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1281	set expgui(bkglbl) ""
1282	eval destroy [winfo children $expgui(diffBox)]
1283	set entrycmd(trace) 1
1284	return
1285	}
1286
1287	if {$expgui(globalmode) != 0} {
1288	set expgui(backtermlbl) ""
1289	set expgui(backtypelbl) ""
1290	foreach var {bref bdamp} {
1291	set entrycmd($var) "histinfo [list $histlist] $var"
1292	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1293	}
1294	} else {
1295	set hist $histlist
1296	set terms [histinfo $hist backterms]
1297	set expgui(backtermlbl) "($terms terms)"
1298	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1299	foreach var {bref bdamp} {
1300	set entrycmd($var) "histinfo $hist $var"
1301	set entryvar($var) [eval $entrycmd($var)]
1302	}
1303	}
1304	# Top box
1305	if $expgui(haveBW) {
1306	catch {destroy $expgui(histFrame).pflag}
1307	}
1308	if {$expgui(globalmode) != 0} {
1309	$expgui(histFrame).top.txt config \
1310	-text "Selected Histograms: [CompressList $histlist]"
1311	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1312	set expgui(bkglbl) "Globally Edit Background"
1313	} else {
1314	grid forget $expgui(histFrame).top
1315	set expgui(bkglbl) "Edit Background"
1316	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1317	TitleFrame $expgui(histFrame).pflag \
1318	-borderwidth 4 -side left -relief groove \
1319	-text "Phase Flags"
1320	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1321	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1322	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1323	foreach p $expmap(phaselist) {
1324	pack [checkbutton $expgui(pflag).$p \
1325	-command "GetPhaseFlags $hist" \
1326	-variable expgui(pflag$p) -text $p] -side left
1327	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1328	set expgui(pflag$p) 0
1329	} else {
1330	set expgui(pflag$p) 1
1331	}
1332	}
1333	}
1334	}
1335
1336	# diffractometer constants
1337	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1338	wref pref dcref daref ratref ttref zref } {
1339	set entrycmd($var) "histinfo [list $histlist] $var"
1340	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1341	}
1342
1343	eval destroy [winfo children $expgui(diffBox)]
1344	if {$expgui(globalmode) == 0} {
1345	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1346	#------
1347	# TOF \|
1348	#------
1349	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1350	-column 1 -row 1
1351	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1352	-column 2 -row 1
1353	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1354	-column 3 -row 1 -sticky w
1355	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1356	-width 15 ] -column 4 -row 1
1357	#
1358	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1359	-column 1 -row 2
1360	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1361	-column 2 -row 2
1362	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1363	-column 3 -row 2
1364	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1365	-width 15 ] -column 4 -row 2
1366	#
1367	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1368	-column 3 -row 3
1369	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1370	-width 15 ] -column 4 -row 3
1371	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1372	-column 1 -row 3 -sticky w
1373	grid [ checkbutton $expgui(diffBox).rfDCzref \
1374	-variable entryvar(zref) ] -column 2 -row 3
1375	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1376	#---------------
1377	# CW - neutron \|
1378	#---------------
1379	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1380	-column 1 -row 1
1381	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1382	-column 2 -row 1
1383	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1384	-column 3 -row 1 -sticky w
1385	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1386	-width 15 ] -column 4 -row 1
1387	#
1388	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1389	-column 1 -row 3 -sticky w
1390	grid [ checkbutton $expgui(diffBox).rfDCzref \
1391	-variable entryvar(zref) ] -column 2 -row 3
1392	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1393	-column 3 -row 3
1394	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1395	-width 15 ] -column 4 -row 3
1396	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1397	[histinfo $hist lam2] == 0.0} {
1398	#--------------------------
1399	# CW - x-ray 1 wavelength \|
1400	#--------------------------
1401	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1402	-column 1 -row 1
1403	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1404	-column 2 -row 1
1405	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1406	-column 3 -row 1 -sticky w
1407	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1408	-width 15 ] -column 4 -row 1
1409	#
1410	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1411	-column 1 -row 3 -sticky w
1412	grid [ checkbutton $expgui(diffBox).rfDCzref \
1413	-variable entryvar(zref) ] -column 2 -row 3
1414	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1415	-column 3 -row 3
1416	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1417	-width 15 ] -column 4 -row 3
1418	#
1419	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1420	-column 1 -row 4 -sticky w
1421	grid [ checkbutton $expgui(diffBox).rfDCpref \
1422	-variable entryvar(pref) ] -column 2 -row 4
1423	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1424	-column 3 -row 4
1425	grid [ entry $expgui(diffBox).eDCpola \
1426	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1427	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1428	-column 5 -row 4
1429	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1430	-textvariable entryvar(ipola)] -column 6 -row 4
1431	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1432	#---------------------------
1433	# CW - x-ray 2 wavelengths \|
1434	#---------------------------
1435	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1436	-column 3 -row 1 -sticky w
1437	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1438	-width 15 ] -column 4 -row 1
1439	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1440	-width 15 ] -column 5 -row 1
1441	#
1442	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1443	-column 1 -row 2 -sticky w
1444	grid [ checkbutton $expgui(diffBox).rfDCrref \
1445	-variable entryvar(ratref) ] -column 2 -row 2
1446	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1447	-column 3 -row 2
1448	grid [ entry $expgui(diffBox).eDCkratio \
1449	-textvariable entryvar(kratio) \
1450	-width 15 ] -column 4 -row 2
1451	#
1452	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1453	-column 3 -row 3
1454	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1455	-width 15 ] -column 4 -row 3
1456	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1457	-column 1 -row 3 -sticky w
1458	grid [ checkbutton $expgui(diffBox).rfDCzref \
1459	-variable entryvar(zref) ] -column 2 -row 3
1460	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1461	-column 1 -row 4 -sticky w
1462	grid [ checkbutton $expgui(diffBox).rfDCpref \
1463	-variable entryvar(pref) ] -column 2 -row 4
1464	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1465	-column 3 -row 4
1466	grid [ entry $expgui(diffBox).eDCpola \
1467	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1468	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1469	-column 5 -row 4
1470	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1471	-textvariable entryvar(ipola)] -column 6 -row 4
1472	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1473	#-------------
1474	# ED - x-ray \|
1475	#-------------
1476	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1477	-column 1 -row 1
1478	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1479	-column 2 -row 1
1480	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1481	-column 3 -row 1 -sticky w
1482	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1483	-width 15 ] -column 4 -row 1
1484	#
1485	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1486	-column 1 -row 4 -sticky w
1487	grid [ checkbutton $expgui(diffBox).rfDCpref \
1488	-variable entryvar(pref) ] -column 2 -row 4
1489	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1490	-column 3 -row 4
1491	grid [ entry $expgui(diffBox).eDCpola \
1492	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1493	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1494	-column 5 -row 4
1495	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1496	-textvariable entryvar(ipola)] -column 6 -row 4
1497	}
1498	} elseif {$expgui(globalmode) == 1} {
1499	#-------------
1500	# Global TOF \|
1501	#-------------
1502	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1503	-column 1 -row 1
1504	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1505	-column 2 -row 1
1506	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1507	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1508	#
1509	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1510	-column 1 -row 2
1511	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1512	-column 2 -row 2
1513	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1514	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1515	#
1516	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1517	-column 1 -row 3 -sticky w
1518	grid [ checkbutton $expgui(diffBox).rfDCzref \
1519	-variable entryvar(zref) ] -column 2 -row 3
1520	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1521	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1522	} elseif {$expgui(globalmode) == 2} {
1523	#--------------------
1524	# Global CW neutron \|
1525	#--------------------
1526	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1527	-column 1 -row 1
1528	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1529	-column 2 -row 1
1530	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1531	-command "editglobalparm histinfo lam1 Wavelength"] \
1532	-column 3 -row 1
1533	#
1534	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1535	-column 1 -row 3 -sticky w
1536	grid [ checkbutton $expgui(diffBox).rfDCzref \
1537	-variable entryvar(zref) ] -column 2 -row 3
1538	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1539	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1540	} elseif {$expgui(globalmode) == 4} {
1541	#----------------------
1542	# Global CW mono xray \|
1543	#----------------------
1544	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1545	-column 1 -row 1
1546	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1547	-column 2 -row 1
1548	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1549	-command "editglobalparm histinfo lam1 Wavelength"] \
1550	-column 3 -row 1
1551	#
1552	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1553	-column 1 -row 3 -sticky w
1554	grid [ checkbutton $expgui(diffBox).rfDCzref \
1555	-variable entryvar(zref) ] -column 2 -row 3
1556	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1557	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1558	#
1559	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1560	-column 1 -row 4 -sticky w
1561	grid [ checkbutton $expgui(diffBox).rfDCpref \
1562	-variable entryvar(pref) ] -column 2 -row 4
1563	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1564	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1565	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1566	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1567	} elseif {$expgui(globalmode) == 3} {
1568	#------------------------
1569	# Global alpha 1,2 xray \|
1570	#------------------------
1571	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1572	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1573	-column 3 -row 1
1574	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1575	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1576	-column 4 -row 1
1577	#
1578	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1579	-column 1 -row 3 -sticky w
1580	grid [ checkbutton $expgui(diffBox).rfDCratref \
1581	-variable entryvar(ratref) ] -column 2 -row 3
1582	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1583	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1584	-column 3 -row 3
1585	#
1586	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1587	-column 1 -row 3 -sticky w
1588	grid [ checkbutton $expgui(diffBox).rfDCzref \
1589	-variable entryvar(zref) ] -column 2 -row 3
1590	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1591	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1592	#
1593	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1594	-column 1 -row 4 -sticky w
1595	grid [ checkbutton $expgui(diffBox).rfDCpref \
1596	-variable entryvar(pref) ] -column 2 -row 4
1597	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1598	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1599	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1600	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1601	} elseif {$expgui(globalmode) == 5} {
1602	#-----------------
1603	# Global ED xray \|
1604	#-----------------
1605	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1606	-column 1 -row 1
1607	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1608	-column 2 -row 1
1609	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1610	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1611	-column 3 -row 1
1612	#
1613	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1614	-column 1 -row 4 -sticky w
1615	grid [ checkbutton $expgui(diffBox).rfDCpref \
1616	-variable entryvar(pref) ] -column 2 -row 4
1617	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1618	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1619	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1620	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1621	}
1622	if {$expgui(globalmode) == 0} {
1623	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1624	-columnspan 2 -sticky e
1625	} else {
1626	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1627	-columnspan 2 -sticky e
1628	}
1629	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1630	-column 1 -row 1
1631	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1632	grid $expgui(diffBox).d.om -column 2 -row 1
1633	grid columnconfigure $expgui(diffBox) 9 -weight 1
1634	grid columnconfigure $expgui(diffBox) 0 -weight 1
1635	update idletasks
1636	# enable traces on entryvar now
1637	set entrycmd(trace) 1
1638	}
1639
1640	proc GetPhaseFlags {hist} {
1641	global expmap expgui
1642	set plist {}
1643	foreach p $expmap(phaselist) {
1644	if {$expgui(pflag$p)} {lappend plist $p}
1645	}
1646	SetPhaseFlag $hist $plist
1647	incr expgui(changed)
1648	mapexp
1649	}
1650
1651	proc SetPhaseFlag {hist plist} {
1652	# make a 2 digit key -- hh
1653	if {$hist < 10} {
1654	set hh " $hist"
1655	} else {
1656	set hh $hist
1657	}
1658	set key "HST $hh NPHAS"
1659	set str {}
1660	foreach iph {1 2 3 4 5 6 7 8 9} {
1661	if {[lsearch $plist $iph] != -1} {
1662	append str { 1}
1663	} else {
1664	append str { 0}
1665	}
1666	}
1667	setexp $key $str 1 68
1668	}
1669
1670	#-----------------------------------------------------------------------
1671	# populate the Scaling page
1672	#-----------------------------------------------------------------------
1673	proc DisplayFrac {} {
1674	global expgui entrycmd entryvar expmap
1675
1676	# trap if more than one histogram is selected unless global mode
1677	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1678	set expgui(curhist) [lindex $expgui(curhist) 0]
1679	}
1680
1681	# display the selected histograms
1682	$expgui(fracFrame).hs.lbox selection clear 0 end
1683	foreach h $expgui(curhist) {
1684	$expgui(fracFrame).hs.lbox selection set $h
1685	}
1686
1687	# disable traces on entryvar
1688	set entrycmd(trace) 0
1689
1690	# get histogram list
1691	set histlist {}
1692	foreach item $expgui(curhist) {
1693	lappend histlist [lindex $expmap(powderlist) $item]
1694	}
1695
1696	# must have at least one histogram selected here
1697	if {[llength $histlist] == 0} {
1698	foreach var {scale sref sdamp} {
1699	set entrycmd($var) ""
1700	set entryvar($var) ""
1701	}
1702	set parm [grid info $expgui(scaleBox).but1]
1703	if {$parm != ""} {
1704	grid forget $expgui(scaleBox).but1
1705	eval grid $expgui(scaleBox).ent1 $parm
1706	}
1707	# destroy the contents of the frame
1708	set phaseFractf1 $expgui(FracBox).f
1709	eval destroy [winfo children $phaseFractf1]
1710	# reenable traces on entryvar
1711	set entrycmd(trace) 1
1712	return
1713	}
1714
1715	#--------------
1716	# Scale factor
1717	#--------------
1718	if {$expgui(globalmode) != 0} {
1719	foreach var {scale sref sdamp} {
1720	set entrycmd($var) "histinfo [list $histlist] $var"
1721	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1722	}
1723	set parm [grid info $expgui(scaleBox).ent1]
1724	if {$parm != ""} {
1725	grid forget $expgui(scaleBox).ent1
1726	eval grid $expgui(scaleBox).but1 $parm
1727	}
1728	} else {
1729	set hist $histlist
1730	foreach var {scale sref sdamp} {
1731	set entrycmd($var) "histinfo $hist $var"
1732	set entryvar($var) [eval $entrycmd($var)]
1733	}
1734	set parm [grid info $expgui(scaleBox).but1]
1735	if {$parm != ""} {
1736	grid forget $expgui(scaleBox).but1
1737	eval grid $expgui(scaleBox).ent1 $parm
1738	}
1739	}
1740
1741	#----------------
1742	# Phase Fractions
1743	#----------------
1744	set phaseFractf1 $expgui(FracBox).f
1745	# destroy the contents of the frame
1746	eval destroy [winfo children $phaseFractf1]
1747	if {$expgui(globalmode) != 0} {
1748	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1749	} else {
1750	set txt "Phase Fractions"
1751	}
1752	if $expgui(haveBW) {
1753	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1754	} else {
1755	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1756	-column 0 -row 0 -sticky news
1757	}
1758	# Create the frame inside the canvas, One frame for each Phase.
1759	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1760	foreach hist $histlist {
1761	foreach i $expmap(phaselist_$hist) {
1762	lappend phasehistlist($i) $hist
1763	}
1764	}
1765	foreach i {1 2 3 4 5 6 7 8 9} {
1766	if {[llength $phasehistlist($i)] == 0} continue
1767	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1768	grid $framePF -column 0 -row $i -sticky ew
1769	# Label Heading for each phase.
1770	if {$expgui(globalmode) != 0} {
1771	grid [label $framePF.l1 \
1772	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1773	-column 0 -row 0 -sticky nws
1774	grid [button $framePF.but1 -text "Set Globally" \
1775	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1776	[list $phasehistlist($i)] $i" \
1777	] -column 1 -row 0
1778	} else {
1779	grid [label $framePF.l1 -text "Phase $i"] \
1780	-column 0 -row 0 -sticky nws
1781	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1782	-column 1 -row 0
1783	}
1784	set entrycmd(frac$i) "hapinfo $hist $i frac"
1785	set entryvar(frac$i) [hapinfo $hist $i frac]
1786	grid [label $framePF.l2 -text " Refine"] \
1787	-column 2 -row 0 -sticky nws
1788	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1789	-column 3 -row 0 -sticky nws
1790	set entrycmd(frref$i) "hapinfo $hist $i frref"
1791	set entryvar(frref$i) [hapinfo $hist $i frref]
1792	grid [label $framePF.l3 -text " Damping"] \
1793	-column 4 -row 0 -sticky nws
1794	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1795	0 1 2 3 4 5 6 7 8 9
1796	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1797	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1798	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1799	}
1800	# resize the scroll window to match the actual
1801	update idletasks
1802	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1803	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1804	update idletasks
1805	# enable traces on entryvar now
1806	set entrycmd(trace) 1
1807	}
1808
1809	#-----------------------------------------------------------------------
1810	# display the profile page
1811	#-----------------------------------------------------------------------
1812	proc DisplayProfile {} {
1813	global expgui entrycmd entryvar expmap
1814
1815	# trap if more than one histogram is selected unless global mode
1816	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1817	set expgui(curhist) [lindex $expgui(curhist) 0]
1818	}
1819	# display the selected histograms
1820	$expgui(profFrame).hs.lbox selection clear 0 end
1821	foreach h $expgui(curhist) {
1822	$expgui(profFrame).hs.lbox selection set $h
1823	}
1824
1825	# destroy the contents of the frame
1826	eval destroy [winfo children $expgui(ProfileBox).f]
1827
1828	if {$expgui(globalmode) == 0} {
1829	# must have at least one histogram selected here
1830	if {[llength $expgui(curhist)] == 0} return
1831	# disable traces on entryvar for right now
1832	set entrycmd(trace) 0
1833	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1834	# no defined histograms?
1835	if {$hist == ""} return
1836	# Create one frame for each Phase.
1837	set ind -1
1838	set htype [string range $expmap(htype_$hist) 2 2]
1839	foreach i $expmap(phaselist_$hist) {
1840	incr ind
1841	# Label Heading for each phase.
1842	set ptype [string trim [hapinfo $hist $i proftype]]
1843	if {$expgui(haveBW)} {
1844	grid [TitleFrame $expgui(ProfileBox).f.$i \
1845	-text "Hist $hist -- Phase $i (type $ptype)" \
1846	-relief groove -bd 2] \
1847	-column 0 -row $ind -sticky ew
1848	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1849	grid [frame $ProfileFrame.1] \
1850	-column 0 -row 0 -columnspan 10
1851	pack [label $ProfileFrame.1.l \
1852	-text Damping]\
1853	-side left
1854	} else {
1855	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1856	-column 0 -row $ind -sticky ew
1857	set ProfileFrame $expgui(ProfileBox).f.$i
1858	grid [frame $ProfileFrame.1] \
1859	-column 0 -row 0 -columnspan 10 -sticky ew
1860	pack [label $ProfileFrame.1.l \
1861	-text "Phase $i (type $ptype) Damping"]\
1862	-side left
1863	}
1864	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1865	0 1 2 3 4 5 6 7 8 9
1866	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1867	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1868	pack $ProfileFrame.1.tkOptDamp -side left
1869	pack [label $ProfileFrame.1.l1 \
1870	-text " Peak cutoff"]\
1871	-side left
1872	pack [entry $ProfileFrame.1.e1 \
1873	-width 10 -textvariable entryvar(pcut_$i)]\
1874	-side left
1875	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1876	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1877
1878	pack [button $ProfileFrame.1.b1 \
1879	-text "Change Type" \
1880	-command "ChangeProfileType $hist $i"]\
1881	-side left
1882
1883	set col -1
1884	set row 1
1885	set nterms [hapinfo $hist $i profterms]
1886	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1887	for { set num 1 } { $num <= $nterms } { incr num } {
1888	set term {}
1889	catch {set term [lindex $lbls $num]}
1890	if {$term == ""} {set term $num}
1891	incr col
1892	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1893	-row $row -column $col
1894	incr col
1895	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1896	-variable entryvar(pref${num}_$i)] -row $row -column $col
1897	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1898	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1899	incr col
1900	grid [entry $ProfileFrame.ent${num}_${i} \
1901	-textvariable entryvar(pterm${num}_$i)\
1902	-width 12] -row $row -column $col
1903	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1904	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1905	if {$col > 6} {set col -1; incr row}
1906	}
1907	}
1908	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1909	} else {
1910	# get histogram list
1911	set histlist {}
1912	foreach item $expgui(curhist) {
1913	lappend histlist [lindex $expmap(powderlist) $item]
1914	}
1915	# must have at least one histogram selected here
1916	if {[llength $histlist] == 0} return
1917	# disable traces on entryvar for right now
1918	set entrycmd(trace) 0
1919	# loop through histograms & phases, set up an array by phase & profile type
1920	catch {unset prtyparray histarray phasearray}
1921	foreach hist $histlist {
1922	foreach phase $expmap(phaselist_$hist) {
1923	set prtyp [string trim [hapinfo $hist $phase proftype]]
1924	set key ${prtyp}_$phase
1925	lappend prtyparray($key) $hist
1926	lappend histarray($key) $hist
1927	lappend phasearray($key) $phase
1928	}
1929	}
1930
1931	set ptype ""
1932	set i -1
1933	# loop over all combined phases and profile types, sorted 1st by profile number
1934	foreach key [lsort [array names prtyparray]] {
1935	# split key
1936	scan $key %d_%d prftyp p
1937
1938	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1939	set ptype $prftyp
1940	set curhistlist $histarray($key)
1941	set curphaslist $phasearray($key)
1942
1943	set hist1 [lindex $curhistlist 0]
1944	set phase1 [lindex $curphaslist 0]
1945	set nterms [hapinfo $hist1 $phase1 profterms]
1946	set htype [string range $expmap(htype_$hist1) 2 2]
1947	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1948	# Create a frame for this type
1949	incr i
1950	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1951	if {$expgui(haveBW)} {
1952	grid [TitleFrame $expgui(ProfileBox).f.$i \
1953	-text "(type $ptype)" \
1954	-relief groove -bd 2] \
1955	-column 0 -row $i -sticky ew
1956	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1957	grid [frame $ProfileFrame.0] \
1958	-column 0 -row 0 -columnspan 20 -sticky ew
1959	} else {
1960	grid [frame $expgui(ProfileBox).f.$i \
1961	-relief groove -bd 4] \
1962	-column 0 -row $i -sticky ew
1963	set ProfileFrame $expgui(ProfileBox).f.$i
1964	grid [frame $ProfileFrame.0] \
1965	-column 0 -row 0 -columnspan 20 -sticky ew
1966	grid [label $ProfileFrame.0.0 \
1967	-text "Profile Type $ptype "] -row 0 -column 0
1968	}
1969	grid [label $ProfileFrame.0.1 \
1970	-anchor w] -row 0 -column 1
1971	grid [frame $ProfileFrame.1] \
1972	-column 0 -row 1 -columnspan 20 -sticky ew
1973	grid [label $ProfileFrame.1.2 \
1974	-text "Damping"] -row 0 -column 2
1975	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1976	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1977	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1978	grid [button $ProfileFrame.1.edit \
1979	-text "Global Edit"] -row 0 -column 4 -sticky w
1980	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1981	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
1982	-row 0 -column 5 -sticky w
1983	set col -1
1984	set row 2
1985	for { set num 1 } { $num <= $nterms } { incr num } {
1986	set term {}
1987	catch {set term [lindex $lbls $num]}
1988	if {$term == ""} {set term $num}
1989	incr col
1990	grid [label $ProfileFrame.l${num}_${i} \
1991	-text "$term"] -row $row -column $col
1992	incr col
1993	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1994	-variable entryvar(pref${num}_$i)] \
1995	-row $row -column $col
1996	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1997	if {$col > 10} {set col -1; incr row}
1998	}
1999	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2000	} else {
2001	# add to the current entry
2002	eval lappend curhistlist $histarray($key)
2003	eval lappend curphaslist $phasearray($key)
2004	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2005	}
2006	$ProfileFrame.0.1 config -text $boxtitle
2007	$ProfileFrame.1.edit config -command "\
2008	EditProfile \"\n$boxtitle\" \
2009	[list $curhistlist] \
2010	[list $curphaslist]"
2011	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2012	[list $curhistlist] [list $curphaslist]"
2013	set entrycmd(pdamp_$i) "hapinfo \
2014	[list $curhistlist] \
2015	[list $curphaslist] pdamp"
2016	for { set num 1 } { $num <= $nterms } { incr num } {
2017	set entrycmd(pref${num}_$i) "hapinfo \
2018	[list $curhistlist] \
2019	[list $curphaslist] pref$num"
2020	}
2021	}
2022	}
2023
2024	# resize the scroll window to match the actual
2025	update idletasks
2026	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2027	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2028	update idletasks
2029	ResizeNotebook
2030	# enable traces on entryvar now
2031	set entrycmd(trace) 1
2032	}
2033
2034	# process the bit settings in the print options
2035	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2036	proc printsetting {bitnum "action get" "value {}"} {
2037	global entryvar expgui
2038	if {$action == "get"} {
2039	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2040	} elseif $value {
2041	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2042	} else {
2043	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2044	}
2045	expinfo print set $newval
2046	set expgui(printopt) "Print Options ([expinfo print])"
2047	}
2048
2049	# need to respond to mouse presses -- control variable associated with extract Fobs
2050	# and set the LeBail extraction flags
2051	proc SetupExtractHist {} {
2052	global expgui entrycmd entryvar expmap
2053
2054	# display the selected histograms
2055	$expgui(lsFrame).hs.lbox selection clear 0 end
2056	foreach h $expgui(curhist) {
2057	$expgui(lsFrame).hs.lbox selection set $h
2058	}
2059
2060	# get histogram list
2061	set histlist {}
2062	foreach item $expgui(curhist) {
2063	set hist [lindex $expmap(powderlist) $item]
2064	if {$hist != ""} {lappend histlist $hist}
2065	}
2066	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2067	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2068	foreach phase {1 2 3 4 5 6 7 8 9} {
2069	$expgui(FobsExtractFrame).l$phase config -fg grey
2070	set expgui(Fextract$phase) {}
2071	foreach item $expgui(ExtractSettingsRadiobuttons) {
2072	${item}$phase config -state disabled -bd 1
2073	}
2074	}
2075	} elseif {[llength $histlist] == 1} {
2076	# disable traces on entryvar
2077	set entrycmd(trace) 0
2078	set entryvar(fobsextract) [histinfo $histlist foextract]
2079	foreach phase {1 2 3 4 5 6 7 8 9} {
2080	# is the phase present?
2081	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2082	$expgui(FobsExtractFrame).l$phase config -fg grey
2083	set expgui(Fextract$phase) {}
2084	foreach item $expgui(ExtractSettingsRadiobuttons) {
2085	${item}$phase config -state disabled -bd 1
2086	}
2087	} else {
2088	$expgui(FobsExtractFrame).l$phase config -fg black
2089	foreach item $expgui(ExtractSettingsRadiobuttons) {
2090	${item}$phase config -state normal -bd 2
2091	}
2092	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2093	}
2094	}
2095	} elseif {[llength $histlist] > 1} {
2096	# disable traces on entryvar
2097	set entrycmd(trace) 0
2098	# multiple histograms need phases in any histogram
2099	foreach phase {1 2 3 4 5 6 7 8 9} {
2100	set gotphase($phase) 0
2101	}
2102	foreach hist $histlist {
2103	foreach phase $expmap(phaselist_$hist) {
2104	set gotphase($phase) 1
2105	}
2106	}
2107	foreach phase {1 2 3 4 5 6 7 8 9} {
2108	set expgui(Fextract$phase) {}
2109	if $gotphase($phase) {
2110	$expgui(FobsExtractFrame).l$phase config -fg black
2111	foreach item $expgui(ExtractSettingsRadiobuttons) {
2112	${item}$phase config -state normal -bd 2
2113	}
2114	} else {
2115	$expgui(FobsExtractFrame).l$phase config -fg grey
2116	foreach item $expgui(ExtractSettingsRadiobuttons) {
2117	${item}$phase config -state disabled -bd 1
2118	}
2119	}
2120	}
2121	}
2122	# reenable traces
2123	set entrycmd(trace) 1
2124	}
2125	# respond to a change in the fobs extraction method for a phase
2126	# force the main extraction flag on, if fobs extraction is selected for any phase
2127	proc HistExtractSet {phase} {
2128	global expgui entryvar expmap
2129	foreach item $expgui(curhist) {
2130	lappend histlist [lindex $expmap(powderlist) $item]
2131	}
2132	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2133	incr expgui(changed)
2134	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2135	}
2136	#---------------------------- Global Edit Functions ------------------------
2137	proc editbackground {} {
2138	global expgui expmap entrycmd
2139	set histlist {}
2140	foreach n $expgui(curhist) {
2141	lappend histlist [lindex $expmap(powderlist) $n]
2142	}
2143	if {[llength $histlist] == 0} return
2144
2145	set w .back
2146	catch {destroy $w}
2147	toplevel $w -bg beige
2148	if {$expgui(globalmode) != 0} {
2149	wm title $w "Global Edit Background"
2150	} else {
2151	wm title $w "Edit Background"
2152	}
2153
2154	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2155	] -side top -expand yes -fill both
2156	if {[llength $histlist] > 1} {
2157	grid [label $w.0.a \
2158	-text "Setting background terms for histograms [CompressList $histlist]" \
2159	-bg beige] -row 0 -column 0 -columnspan 10
2160	} else {
2161	grid [label $w.0.a \
2162	-text "Setting background terms for histogram $histlist" \
2163	-bg beige] -row 0 -column 0 -columnspan 10
2164	}
2165	set hist [lindex $histlist 0]
2166	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2167
2168	# disable traces on expgui(backtype) & expgui(backterms) now
2169	set entrycmd(trace) 0
2170
2171	# number of terms
2172	set expgui(backtype) [histinfo $hist backtype]
2173	set expgui(orig_backtype) $expgui(backtype)
2174	set expgui(prev_backtype) $expgui(backtype)
2175	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2176	$typemenu delete 0 end
2177	foreach item {
2178	"1 - Shifted Chebyshev"
2179	"2 - Cosine Fourier series"
2180	"3 - Radial distribution peaks"
2181	"4 - Power series in Q**2n/n!"
2182	"5 - Power series in n!/Q**2n"
2183	"6 - Power series in Q2n/n! and n!/Q2n"
2184	"7 - Linear interpolation function"
2185	"8 - Reciprocal interpolation function"
2186	} {
2187	set val [lindex $item 0]
2188	$typemenu insert end radiobutton -variable expgui(backtype) \
2189	-label $item -value $val
2190	}
2191
2192	grid $w.0.type -row 1 -column 1
2193	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2194
2195	# function type
2196	set expgui(backterms) [histinfo $hist backterms]
2197	set expgui(orig_backterms) $expgui(backterms)
2198	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2199	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2200	grid $w.0.terms -row 1 -column 3
2201	# enable traces on expgui(backtype) & expgui(backterms) now
2202	set entrycmd(trace) 1
2203
2204	#set background terms
2205	for {set num 1 } { $num <= 36 } { incr num } {
2206	set var "bterm$num"
2207	set expgui($var) {}
2208	set expgui(orig_$var) {}
2209	}
2210	if {[llength $histlist] == 1} {
2211	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2212	set var "bterm$num"
2213	set expgui($var) [histinfo $histlist $var]
2214	set expgui(orig_$var) $expgui($var)
2215	}
2216	}
2217
2218	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2219	-expand yes -fill both
2220	ShowBackTerms $w.1
2221
2222	set expgui(temp) {}
2223	pack [frame $w.b] -side top
2224	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2225	pack [button $w.b.3 -text Quit \
2226	-command "QuitEditBackground $w"] -side left
2227	bind $w <Return> "destroy $w"
2228
2229	# force the window to stay on top
2230	putontop $w
2231
2232	focus $w.b.2
2233	tkwait window $w
2234	afterputontop
2235
2236	if {$expgui(temp) != ""} return
2237
2238	if {$expgui(orig_backtype) != $expgui(backtype)} {
2239	histinfo $histlist backtype set $expgui(backtype)
2240	incr expgui(changed)
2241	}
2242	if {$expgui(orig_backterms) != $expgui(backterms)} {
2243	histinfo $histlist backterms set $expgui(backterms)
2244	incr expgui(changed)
2245	}
2246	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2247	set var "bterm$num"
2248	if {$expgui(orig_$var) != $expgui($var)} {
2249	histinfo $histlist $var set $expgui($var)
2250	incr expgui(changed)
2251	}
2252	}
2253
2254	if {$expgui(globalmode) == 0} {
2255	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2256	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2257	}
2258	}
2259
2260	trace variable expgui(backterms) w ChangeBackTerms
2261	proc ChangeBackTerms {a b c} {
2262	global entrycmd expgui
2263	if !$entrycmd(trace) return
2264	ShowBackTerms .back.1
2265	}
2266
2267	trace variable expgui(backtype) w ChangeBackType
2268	# reset the terms to 1, 0, 0... when the number of terms increase
2269	proc ChangeBackType {a b c} {
2270	global entrycmd expgui
2271	if !$entrycmd(trace) return
2272	if {$expgui(prev_backtype) == $expgui(backtype)} return
2273	set expgui(prev_backtype) $expgui(backtype)
2274	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2275	set var "bterm$num"
2276	if {$num == 1} {
2277	set expgui($var) 1.0
2278	} else {
2279	set expgui($var) 0.0
2280	}
2281	}
2282	}
2283
2284	proc ShowBackTerms {w } {
2285	global expgui expmap
2286	# destroy the contents of the frame
2287	eval destroy [winfo children $w]
2288	set histlist {}
2289	foreach n $expgui(curhist) {
2290	lappend histlist [lindex $expmap(powderlist) $n]
2291	}
2292	set widgetsPerRow 4
2293	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2294	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2295	set var "bterm$num"
2296	grid [label $w.l$num -text $num -bg beige] \
2297	-row $rows -column $cols -sticky nes
2298	incr cols
2299	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2300	] -row $rows -column $cols -sticky news
2301	incr cols
2302	}
2303	}
2304	}
2305
2306	proc QuitEditBackground {w} {
2307	global expgui
2308	# lets find out if anything changed
2309	set changed 0
2310	if {$expgui(orig_backtype) != $expgui(backtype)} {
2311	set changed 1
2312	}
2313	if {$expgui(orig_backterms) != $expgui(backterms)} {
2314	set changed 1
2315	}
2316	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2317	set var "bterm$num"
2318	if {$expgui(orig_$var) != $expgui($var)} {
2319	set changed 1
2320	break
2321	}
2322	}
2323	if $changed {
2324	set decision [tk_dialog .changes "Abandon Changes" \
2325	"You have made changes to the background. Ok to abandon changes?" \
2326	warning 0 Abandon Keep]
2327	if !$decision {
2328	set expgui(temp) "Quit"
2329	destroy $w
2330	}
2331	} else {
2332	set expgui(temp) "Quit"
2333	destroy $w
2334	}
2335	}
2336
2337	# this probably needs work
2338	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2339	global expgui expmap
2340	set w .global
2341	catch {destroy $w}
2342	toplevel $w -bg beige
2343	wm title $w "Edit Global Parameter"
2344	set expgui(temp) {}
2345	if {[llength $histlist] == 0} {
2346	set hist {}
2347	foreach n $expgui(curhist) {
2348	lappend hist [lindex $expmap(powderlist) $n]
2349	}
2350	} else {
2351	set hist $histlist
2352	}
2353	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2354	-side top -expand yes -fill both
2355	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2356	-bg beige] \
2357	-row 0 -column 0 -columnspan 10
2358	grid [entry $w.0.b -textvariable expgui(temp)] \
2359	-row 1 -column 0
2360
2361
2362	pack [frame $w.b] -side top
2363	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2364	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2365	bind $w <Return> "destroy $w"
2366
2367	# force the window to stay on top
2368	putontop $w
2369	focus $w.b.2
2370	tkwait window $w
2371	afterputontop
2372
2373	if {$expgui(temp) != ""} {
2374	foreach h $hist {
2375	if {$cmd == "histinfo"} {
2376	histinfo $h $variable set $expgui(temp)
2377	incr expgui(changed)
2378	if $expgui(debug) {
2379	puts "histinfo $h $variable set $expgui(temp)"
2380	}
2381	} elseif {$cmd == "hapinfo"} {
2382	hapinfo $h $phase $variable set $expgui(temp)
2383	incr expgui(changed)
2384	if $expgui(debug) {
2385	puts "hapinfo $phase $h $variable set $expgui(temp)"
2386	}
2387	} else {
2388	error "$cmd unimplemented"
2389	}
2390	}
2391	}
2392	}
2393
2394	proc EditProfile {title histlist phaselist} {
2395	global expgui expmap entrycmd
2396	set w .back
2397	catch {destroy $w}
2398	toplevel $w -bg beige
2399	wm title $w "Global Edit Profile"
2400	set hist [lindex $histlist 0]
2401	set phase [lindex $phaselist 0]
2402	set ptype [string trim [hapinfo $hist $phase proftype]]
2403	set htype [string range $expmap(htype_$hist) 2 2]
2404	set nterms [hapinfo $hist $phase profterms]
2405
2406	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2407	] -side top -expand yes -fill both
2408	grid [label $w.0.a \
2409	-text "Setting profile terms: $title" \
2410	-bg beige] -row 0 -column 0 -columnspan 10
2411	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2412	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2413	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2414	set entrylist {}
2415	lappend entrylist "pcut $w.0.d"
2416
2417	set col -1
2418	set row 1
2419	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2420	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2421	] -side top -expand yes -fill both
2422	for { set num 1 } { $num <= $nterms } { incr num } {
2423	set term {}
2424	catch {set term [lindex $lbls $num]}
2425	if {$term == ""} {set term $num}
2426	incr col
2427	grid [label $w.1.l${num} -text "$term" -bg beige] \
2428	-row $row -column $col
2429	incr col
2430	grid [entry $w.1.ent${num} \
2431	-width 14] -row $row -column $col
2432	lappend entrylist "pterm$num $w.1.ent${num}"
2433	if {$col > 6} {set col -1; incr row}
2434	}
2435	pack [frame $w.b] -side top
2436	pack [button $w.b.2 -text Set \
2437	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2438	[list $histlist] $w"] -side left
2439	pack [button $w.b.3 -text Quit \
2440	-command "QuitEditProfile $w [list $entrylist]"] -side left
2441	bind $w <Return> "destroy $w"
2442
2443	# force the window to stay on top
2444	putontop $w
2445	focus $w.b.2
2446	tkwait window $w
2447	afterputontop
2448	}
2449
2450	proc SetEditProfile {entrylist phaselist histlist w} {
2451	global expgui
2452	foreach item $entrylist {
2453	set value [ [lindex $item 1] get ]
2454	if {$value != ""} {
2455	hapinfo $histlist $phaselist [lindex $item 0] set $value
2456	incr expgui(changed)
2457	if $expgui(debug) {
2458	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2459	}
2460	}
2461	}
2462	destroy $w
2463	}
2464
2465	proc QuitEditProfile {w entrylist} {
2466	global expgui
2467	# lets find out if anything changed
2468	set changed 0
2469	foreach item $entrylist {
2470	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2471	}
2472	if $changed {
2473	set decision [tk_dialog .changes "Abandon Changes" \
2474	"You have made changes to the Profile. Ok to abandon changes?" \
2475	warning 0 Abandon Keep]
2476	if !$decision {destroy $w}
2477	} else {
2478	destroy $w
2479	}
2480	}
2481
2482	##############################################################################
2483	## #############################################
2484	## END OF THE PROCEDURES SECTION #############################################
2485	## #############################################
2486	##############################################################################
2487
2488	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2489	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2490	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2491	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2492	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2493	# A frame for menu items at top of display
2494	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2495	# Pack the menu frame.
2496	pack $expgui(fm) -fill x -side top -anchor n
2497
2498	# create a button bar
2499	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2500
2501	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2502	# & LS controls
2503	# 0 name,
2504	# 1 title
2505	# 2 create command
2506	# 3 raise command
2507	# 4 disable page in global mode (0/1)
2508
2509	if $expgui(haveBW) {
2510	pack [NoteBook .n -bd 2] -expand yes -fill both
2511	# create an array element describing each notebook page
2512	# element 0 -- pane name
2513	# 1 -- Label on frame
2514	# 2 -- initialization command
2515	# 3 -- update command
2516	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2517	# are selected in global mode, 0 otherwise
2518	set expgui(notebookpagelist) {
2519	{lsFrame "LS Controls" \
2520	"" \
2521	SetupExtractHist \
2522	0}
2523	{phaseFrame Phase \
2524	"" \
2525	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2526	0}
2527	{histFrame Histogram \
2528	MakeHistPane \
2529	DisplayHistogram \
2530	1}
2531	{fracFrame Scaling \
2532	MakeScalingPane \
2533	DisplayFrac \
2534	0}
2535	{profFrame Profile \
2536	MakeProfilePane \
2537	DisplayProfile \
2538	1}
2539	{consFrame Constraints \
2540	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2541	DisplayConstraintsPane \
2542	0}
2543	{orientFrame "MD Pref Orient" \
2544	MakeOrientPane \
2545	DisplayOrient \
2546	0}
2547	{odfFrame "SH Pref Orient" \
2548	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2549	DisplayODFPane \
2550	0}
2551	}
2552	foreach item $expgui(notebookpagelist) {
2553	set frm [lindex $item 0]
2554	set expgui($frm) [\
2555	.n insert end $frm -text [lindex $item 1] \
2556	-createcmd [lindex $item 2] \
2557	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2558
2559	# at this time expgui(frameactionlist) is generated
2560	# from expgui(notebookpagelist), but in the future it might
2561	# make sense to use expgui(notebookpagelist) directly
2562	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2563
2564	# panes to disable in global "all" mode
2565	if {[lindex $item 4]} {
2566	lappend expgui(GlobalModeAllDisable) \
2567	"$frm \{.n itemconfigure $frm\}"
2568	}
2569	}
2570	} else {
2571	Notebook:create .n \
2572	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2573	pack .n -anchor w -fill both -expand yes
2574	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2575	orientFrame} \
2576	page {"LS Controls" Phase Histogram Scaling Profile \
2577	"MD Pref Orient"} {
2578	set expgui($item) [Notebook:frame .n $item]
2579	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2580	}
2581	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2582	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2583	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2584	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2585	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2586	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2587	set expgui(GlobalModeAllDisable) {}
2588	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2589	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2590	}
2591
2592	# this is used to bring up the selected frame
2593	proc RaisePage {nextpage} {
2594	global expgui
2595	if $expgui(haveBW) {
2596	.n see $nextpage
2597	.n raise $nextpage
2598	set expgui(pagenow) $nextpage
2599	} else {
2600	Notebook:raise .n $nextpage
2601	InitPage $nextpage
2602	}
2603	}
2604	# this is only called when BWidget is not in use
2605	proc InitPage {nextpage} {
2606	global expgui
2607	set expgui(pagenow) $nextpage
2608	UpdateCurrentPage
2609	}
2610	# resize the notebook to fit all the tabs and the largest page
2611	proc ResizeNotebook {} {
2612	global expgui
2613	if {$expgui(haveBW)} {
2614	.n compute_size
2615	} else {
2616	Notebook:resize .n
2617	}
2618	}
2619
2620	#----------------------------------------------------------------------------
2621	proc MakePhasePane {} {
2622	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2623	global expgui
2624	frame $expgui(phaseFrame).top
2625	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2626	# This is a big frame in the Phase notebook pane to hold atomic data.
2627	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2628	-relief raised -borderwidth 4 -bg beige]
2629	# This is a frame just below the big frame: for edits
2630	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2631	-relief raised -borderwidth 4 -bg beige]
2632
2633	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2634	grid $frameLatt -sticky news -row 2 -column 0
2635	grid $fbig -sticky news -row 3 -column 0
2636	# give extra space to the atoms box
2637	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2638	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2639	grid $frame3 -sticky news -row 4 -column 0
2640	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2641	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2642	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2643	# this is where the buttons will go
2644	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2645
2646	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2647	-fg blue ] -column 1 -row 0 -sticky e
2648	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2649	-fg blue -width 45] -column 2 -row 0 -sticky e
2650	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2651	# ------------- Lattice Parameter Box ------------------
2652	set row 0
2653	foreach col {2 4 6} var {a b c} lbl {a b c} {
2654	grid [label $frameLatt.l$var -text $lbl] \
2655	-column $col -row $row -padx 5 -sticky e
2656	incr col
2657	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2658	-column $col -row $row -padx 5
2659	}
2660	incr row
2661	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2662	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2663	-column $col -row $row -padx 5 -sticky e
2664	incr col
2665	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2666	-column $col -row $row -padx 5
2667	}
2668
2669	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2670	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2671	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2672	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2673	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2674	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2675	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2676	-column 1 -row 0 -rowspan 2
2677	if [file executable $expgui(exptool)] {
2678	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2679	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2680	}
2681	grid columnconfig $frameLatt 1 -weight 1
2682	grid columnconfig $frameLatt 0 -weight 1
2683	#-------------- Begin Atom Coordinates Box ------------------------------
2684	grid [listbox $fbig.title -height 1 -relief flat \
2685	-exportselection 0 -bg lightgrey -fg black \
2686	-selectforeground black -selectbackground lightgrey] \
2687	-row 0 -column 0 -sticky ew
2688	set expgui(atomtitle) $fbig.title
2689	bind $expgui(atomtitle) <Button-1> {
2690	set i [lsearch {number type mult x y z} $expgui(asorttype)]
2691	incr i
2692	set expgui(asorttype) [lindex {number type mult x y z number} $i]
2693	DisplayAllAtoms
2694	}
2695	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2696
2697	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2698	grid [listbox $fbig.lbox -height 10 \
2699	-exportselection 0 \
2700	-xscrollcommand " $fbig.bscr set"\
2701	-yscrollcommand " $fbig.rscr set"\
2702	] -row 1 -column 0 -sticky news
2703	set expgui(atomlistbox) $fbig.lbox
2704	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2705	grid [scrollbar $fbig.bscr -orient horizontal \
2706	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2707	] -row 2 -column 0 -sticky ew
2708	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2709	] -row 1 -column 1 -sticky ns
2710	# give extra space to the atoms box
2711	grid columnconfigure $fbig 0 -weight 1
2712	grid rowconfigure $fbig 1 -weight 1
2713
2714	# BIND mouse in editbox
2715	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2716	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2717
2718	#-------------- End Atoms Section ---------------------------------
2719
2720	# --------------------------- Begin Edit Box ------------------------
2721	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2722	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2723	if [file executable $expgui(exptool)] {
2724	button $frame3.newa -text "Add New Atom" \
2725	-command {MakeAddAtomsBox $expgui(curPhase)}
2726	grid $frame3.newa -column 11 -row 0
2727	}
2728
2729	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2730	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2731
2732	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2733	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2734	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2735	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2736	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2737	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2738
2739	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2740	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2741
2742	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2743	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2744	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2745	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2746	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2747	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2748	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2749	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2750	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2751
2752	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2753	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2754
2755	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2756	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2757
2758	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2759	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2760	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2761	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2762	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2763	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2764	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2765	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2766	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2767	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2768
2769	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2770	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2771	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2772	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2773	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2774	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2775	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2776	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2777
2778	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2779	grid $f3f31 -column 0 -row 7 -columnspan 12
2780	set expgui(anisolabels) {}
2781	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2782	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2783	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2784	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2785	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2786	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2787
2788	set expgui(anisoentry) {}
2789	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2790	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2791	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2792	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2793	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2794	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2795
2796	set col 0
2797	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2798	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2799	incr col
2800	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2801	incr col
2802	}
2803	# --------------------------- End Edit Box -------------------------
2804
2805	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2806	# resize in case the pane needs more space
2807	ResizeNotebook
2808	}
2809
2810	proc move2boxes {boxlist args} {
2811	foreach listbox $boxlist {
2812	eval $listbox xview $args
2813	}
2814	}
2815	#-----------------------------------------------------------------------------
2816	proc MakeHistPane {} {
2817	#v v v v v v v v v v BEGINNING OF HISTOGRAM PANE CODE v v v v v v v v v v
2818	global expgui
2819
2820	grid columnconfigure $expgui(histFrame) 0 -weight 1
2821	grid rowconfigure $expgui(histFrame) 1 -weight 1
2822	grid rowconfigure $expgui(histFrame) 2 -weight 1
2823	grid rowconfigure $expgui(histFrame) 3 -weight 1
2824
2825	grid [frame $expgui(histFrame).hs] \
2826	-column 0 -row 0 -rowspan 10 -sticky nsew
2827	MakeHistBox $expgui(histFrame).hs
2828	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2829	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2830	DisplayHistogram
2831	}
2832	bind $expgui(histFrame).hs.lbox <Button-3> {
2833	if $expgui(globalmode) {
2834	$expgui(histFrame).hs.lbox selection set 0 end
2835	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2836	DisplayHistogram
2837	}
2838	}
2839
2840	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2841	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2842	if $expgui(haveBW) {
2843	foreach item {backBox diffBox} num {2 3} \
2844	title {Background "Diffractometer Constants"} {
2845	TitleFrame $expgui(histFrame).$item \
2846	-borderwidth 4 -side left -relief groove -text $title
2847	set expgui($item) [$expgui(histFrame).$item getframe]
2848	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2849	grid rowconfigure $expgui(histFrame) $num -minsize 100
2850	}
2851	} else {
2852	foreach item {backBox diffBox} num {1 2} \
2853	title {Background "Diffractometer Constants"} {
2854	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2855	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2856	set expgui($item) $expgui(histFrame).$item
2857	grid [label $expgui(histFrame).$item.title -text $title] \
2858	-row 0 -column 0 -columnspan 10 -sticky nw
2859	}
2860	}
2861	if [file executable $expgui(exptool)] {
2862	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2863	grid $expgui(histFrame).newh -column 1 -row 6
2864	}
2865
2866	# BACKGROUND information.
2867	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2868	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2869	grid [label $expgui(backBox).frm1.lBGType \
2870	-textvariable expgui(backtypelbl)] \
2871	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2872	grid [label $expgui(backBox).frm1.lBGTerms \
2873	-textvariable expgui(backtermlbl)] \
2874	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2875	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2876	-command editbackground] \
2877	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2878	grid [frame $expgui(backBox).frm2 ] \
2879	-row 1 -column 0 -columnspan 11 -sticky e
2880	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2881	-row 2 -column 1 -sticky news -padx 4 -pady 3
2882	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2883	-variable entryvar(bref) ] \
2884	-row 2 -column 2 -sticky news -padx 4 -pady 3
2885	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2886	-row 2 -column 3 -sticky w -padx 2 -pady 3
2887	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2888	grid $expgui(backBox).frm2.om \
2889	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2890	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2891	# insert the histograms & resize in case the pane needs more space
2892	sethistlist
2893	ResizeNotebook
2894	}
2895	###############################################################################
2896	proc MakeScalingPane {} {
2897	#v v v v v v v v v v BEGINNING OF SCALING PANE CODE v v v v v v v v v v
2898	global expgui
2899
2900	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2901	MakeHistBox $expgui(fracFrame).hs
2902	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2903	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2904	DisplayFrac
2905	}
2906	bind $expgui(fracFrame).hs.lbox <Button-3> {
2907	if $expgui(globalmode) {
2908	$expgui(fracFrame).hs.lbox selection set 0 end
2909	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2910	DisplayFrac
2911	}
2912	}
2913
2914	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2915	# Create a large canvas area containing a frame for each phase in the data set.
2916	# The canvas and vertical scrollbar are inside a frame called f1
2917	if $expgui(haveBW) {
2918	TitleFrame $expgui(fracFrame).f1.scaleBox \
2919	-borderwidth 4 -text "Scale Factor"
2920	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2921	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2922	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2923	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2924	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2925	} else {
2926	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2927	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2928	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2929	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2930	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2931	}
2932	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2933	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2934	button $expgui(scaleBox).but1 -text "Set Globally" \
2935	-command "editglobalparm histinfo scale {Scale Factor}"
2936
2937	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2938	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2939	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2940	-row 1 -column 3 -sticky news -padx 4 -pady 3
2941	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2942	-row 1 -column 4 -sticky w -padx 2 -pady 3
2943	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2944	grid $expgui(scaleBox).om \
2945	-row 1 -column 5 -sticky news -padx 4 -pady 3
2946	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2947
2948	if $expgui(haveBW) {
2949	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2950	-text "Phase Fractions" -relief groove] \
2951	-sticky news -row 1 -column 0 -columnspan 2
2952	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2953	} else {
2954	set PhaseFractBox $expgui(fracFrame).f1
2955	}
2956	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2957	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2958
2959	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2960	-scrollregion {0 0 5000 500} \
2961	-yscrollcommand "$PhaseFractBox.yscroll set" \
2962	-width 500 -height 350 -bg lightgrey]] \
2963	-sticky news -row 1 -column 0
2964	grid [scrollbar $PhaseFractBox.yscroll \
2965	-command "$expgui(FracBox) yview" \
2966	-orient vertical] \
2967	-sticky ns -row 1 -column 1
2968	frame $expgui(FracBox).f -bd 0
2969	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2970
2971	# the rest of the page is created in DisplayFrac
2972
2973	# insert the histograms & resize in case the pane needs more space
2974	sethistlist
2975	ResizeNotebook
2976	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2977	}
2978	###############################################################################
2979	proc MakeProfilePane {} {
2980	global expgui
2981	# v v v v v v v v v v BEGINNING OF PROFILE PANE CODE v v v v v v v v v v v
2982	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2983	MakeHistBox $expgui(profFrame).hs
2984	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2985	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2986	DisplayProfile
2987	}
2988	bind $expgui(profFrame).hs.lbox <Button-3> {
2989	if $expgui(globalmode) {
2990	$expgui(profFrame).hs.lbox selection set 0 end
2991	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2992	DisplayProfile
2993	}
2994	}
2995
2996	# Create a large canvas area containing a frame for each phase in the data set.
2997	# The canvas and vertical scrollbar are inside a frame called f1
2998	pack [frame $expgui(profFrame).f1] -fill both -expand true
2999	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3000	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3001	-sticky news -row 0 -column 0
3002	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3003	-sticky ns -row 0 -column 1
3004
3005	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3006	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3007
3008	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3009	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3010	frame $expgui(ProfileBox).f -bd 0
3011	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3012
3013	# insert the histograms & resize in case the pane needs more space
3014	sethistlist
3015	ResizeNotebook
3016	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3017	}
3018
3019	##############################################################################
3020	# v v v v v v v v v v BEGINNING OF LS PANE CODE v v v v v v v v v v v v v
3021	array set printopts {
3022	0 "Print the reciprocal metric tensor changes"
3023	1 "Print the correlation matrix"
3024	2 "Print the Least-Squares matrices and vectors"
3025	4 "Print the linear constraint matrices"
3026	5 "Print the applied shifts and shift factors"
3027	6 "Print the reciprocal metric tensor Var-Covar terms"
3028	7 "Print all parameters for each cycle"
3029	8 "Print summary shift/esd data after last cycle"
3030	9 "Print zero/unit pole figure constraint terms"
3031	}
3032	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3033	MakeHistBox $expgui(lsFrame).hs
3034	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3035	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3036	SetupExtractHist
3037	}
3038	bind $expgui(lsFrame).hs.lbox <Button-3> {
3039	if $expgui(globalmode) {
3040	$expgui(lsFrame).hs.lbox selection set 0 end
3041	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3042	SetupExtractHist
3043	}
3044	}
3045
3046	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3047	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3048	set row 0
3049	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3050	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3051	-textvariable expgui(last_History)] \
3052	-row $row -column 1 -columnspan 5 -sticky w
3053	incr row
3054	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3055	grid [entry $expgui(lsFrame).f1.tit2 \
3056	-textvariable entryvar(title) -width 48] \
3057	-row $row -column 1 -columnspan 5 -sticky w
3058	set entrycmd(title) "expinfo title"
3059
3060	incr row
3061	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3062	-row $row -column 0 -columnspan 2 -pady 3
3063	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3064	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3065	-textvariable entryvar(cycles)] -row 0 -column 1
3066	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3067	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3068	] -row $row -column 2
3069	menu $expgui(lsFrame).f1.lprint.menu
3070	foreach num [lsort [array names printopts]] {
3071	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3072	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3073	-variable entryvar(printopt$num)
3074	}
3075	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3076	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3077	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3078	incr row
3079	if {$expgui(haveBW)} {
3080	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3081	-text "Reflection Intensity Extraction" \
3082	] -row $row -column 0 -columnspan 6
3083	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3084	} else {
3085	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3086	] -row $row -column 0 -columnspan 6
3087	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3088	}
3089	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3090	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3091	-row 0 -column 8 -columnspan 3 -sticky e
3092	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3093	-row 0 -column 2
3094	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3095	-variable entryvar(fobsextract)] -row 0 -column 3
3096	foreach num {1 2 3 4 5 6 7 8 9} {
3097	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3098	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3099	-command "HistExtractSet $num" \
3100	-variable expgui(Fextract$num) -value 0] \
3101	-row 2 -column $num
3102	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3103	-command "HistExtractSet $num" \
3104	-variable expgui(Fextract$num) -value 1] \
3105	-row 3 -column $num
3106	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3107	-command "HistExtractSet $num" \
3108	-variable expgui(Fextract$num) -value 2] \
3109	-row 4 -column $num
3110	}
3111	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3112	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3113	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3114
3115	grid [label $expgui(FobsExtractFrame).t \
3116	-text "Extraction\nMethod" -anchor c] \
3117	-column 0 -row 0 -rowspan 2 -sticky s
3118	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3119	-column 1 -row 0 -columnspan 7 -sticky sw
3120	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3121	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3122	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3123	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3124	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3125	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3126	#-------------------------------------------------------------------------
3127	#-------------------------------------------------------------------------
3128	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3129
3130	#---- file menu button
3131	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3132	menu $expgui(fm).file.menu
3133	if $expgui(debug) {
3134	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3135	}
3136	if {$tcl_platform(platform) != "macintosh"} {
3137	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3138	}
3139	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3140	-command savearchiveexp
3141	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3142	$expgui(fm).file.menu add command -label "Save As" \
3143	-command "SaveAsFile"
3144	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3145	-command {rereadexp $expgui(expfile)}
3146
3147	#---- help menu button
3148	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3149	menu $expgui(fm).help.menu
3150	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3151	-label "Help on Command"
3152	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3153	$expgui(fm).help.menu add command -label "About..." -command About
3154
3155	#---- options menu button
3156	menubutton $expgui(fm).option -text Options \
3157	-menu $expgui(fm).option.menu
3158	menu $expgui(fm).option.menu
3159
3160	if {$tcl_platform(platform) != "macintosh"} {
3161	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3162	-variable expgui(archive)
3163	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3164	-variable expgui(disaglSeparateBox)
3165	}
3166	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3167	-label "Sort atoms by"
3168
3169	set expgui(asorttype) number
3170	menu $expgui(fm).option.menu.asort
3171	foreach opt {number type mult x y z} {
3172	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3173	-label $opt -value $opt -variable expgui(asorttype)
3174	}
3175
3176	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3177	-label "Sort histograms by"
3178
3179	set expgui(hsorttype) number
3180	menu $expgui(fm).option.menu.hsort
3181	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3182	-label number -value number -variable expgui(hsorttype)
3183	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3184	-label "Histogram type" -value type -variable expgui(hsorttype)
3185	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3186	-label "Bank #" -value bank -variable expgui(hsorttype)
3187	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3188	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3189
3190	#---- Global mode menu button
3191	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3192	-label "Multiple hist. selection"
3193	menu $expgui(fm).option.menu.editmode
3194	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3195	-variable expgui(globalmode) -value 0 \
3196	-command sethistlist
3197	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3198	-variable expgui(globalmode) -value 6 \
3199	-command sethistlist
3200	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3201	-variable expgui(globalmode) -value 1 \
3202	-command sethistlist
3203	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3204	-variable expgui(globalmode) -value 2 \
3205	-command sethistlist
3206	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3207	-variable expgui(globalmode) -value 3 \
3208	-command sethistlist
3209	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3210	-variable expgui(globalmode) -value 4 \
3211	-command sethistlist
3212	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3213	-variable expgui(globalmode) -value 5 \
3214	-command sethistlist
3215	$expgui(fm).option.menu.editmode add separator
3216	$expgui(fm).option.menu.editmode add checkbutton \
3217	-label "Group phases together" \
3218	-variable expgui(globalphasemode) \
3219	-command sethistlist
3220
3221	set expgui(globalmode) 0
3222	set expgui(globalphasemode) 1
3223
3224	if {$tcl_platform(platform) == "unix"} {
3225	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3226	-variable env(GSASBACKSPACE)
3227	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3228	-variable expgui(autoexpload)
3229	}
3230
3231	$expgui(fm).option.menu add command -label "Save Options" \
3232	-command "SaveOptions"
3233
3234	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3235
3236	if {$tcl_platform(platform) != "macintosh"} {
3237	foreach menu $expgui(menunames) {
3238	set m [string tolower $menu]
3239	pack [menubutton $expgui(fm).$m -text $menu \
3240	-menu $expgui(fm).$m.menu] -side left
3241	menu $expgui(fm).$m.menu
3242	}
3243	}
3244	pack $expgui(fm).help -side right -in $expgui(fm)
3245
3246	if {$tcl_platform(platform) != "macintosh"} {
3247	# add the commands in expgui_menulist
3248	foreach menu [array names expgui_menulist ] {
3249	foreach cmd $expgui_menulist($menu) {
3250	set action {}
3251	set opt {}
3252	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3253	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3254	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3255	if {$action != "" && $action != "-"} {
3256	eval $expgui(fm).$menu.menu add command \
3257	-label $cmd $opt -command [list [subst $action]]
3258	if {[lindex $opt 0] == "-underline"} {
3259	catch {
3260	set num [lindex $opt 1]
3261	set key [string range $cmd $num $num]
3262	bind . <Alt-[string tolower $key]> [subst $action]
3263	bind . <Alt-[string toupper $key]> [subst $action]
3264	}
3265	}
3266	}
3267	}
3268	}
3269	}
3270	# setup command help
3271	foreach cmd [array names expgui_cmdlist] {
3272	set help {}
3273	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3274	if {$help == ""} {
3275	if {$expgui(debug)} {puts "no help for $cmd"}
3276	} else {
3277	# remove
3278	regsub -all \x09 $help " " help
3279	# preserve blank lines
3280	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3281	regsub -all \x0A $help " " help
3282	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3283	regsub -all " +" $help " " help
3284	set expgui_helplist($cmd) [string trim $help]
3285	}
3286	}
3287	if {$tcl_platform(platform) != "macintosh"} {
3288	# set up button bar
3289	foreach cmd $expgui(buttonlist) {
3290	set action {}
3291	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3292	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3293	if {$action != ""} {
3294	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3295	-text $cmd -command [list [subst $action]]] -side left
3296	}
3297	}
3298	}
3299
3300	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3301	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3302	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3303
3304	# make the phase pane
3305	MakePhasePane
3306	# and the rest of the windows w/o BWidget
3307	if !$expgui(haveBW) {
3308	MakeHistPane
3309	MakeScalingPane
3310	MakeProfilePane
3311	}
3312
3313	# handle indirect exits
3314	wm protocol . WM_DELETE_WINDOW catchQuit
3315	bind . <Control-c> catchQuit
3316
3317	set expgui(curPhase) ""
3318	set expgui(pagenow) ""
3319	set expgui(curhist) {}
3320	set expgui(selectedatomlist) {}
3321
3322	loadexp $expgui(expfile)
3323
3324	# select the 1st phase
3325	SelectOnePhase [lindex $expmap(phaselist) 0]
3326	# select the first histogram in the list by default (if there are any)
3327	if {[llength $expmap(histlistboxcontents)] > 0} {
3328	set expgui(curhist) 0
3329	} else {
3330	set expgui(curhist) {}
3331	}
3332
3333	# execute any local commands for final initialization
3334	eval $expgui(initstring)
3335
3336	# resize the notebook to fit all the tabs and the largest page
3337	ResizeNotebook
3338
3339	RaisePage lsFrame
3340	if {[CountHistory] > 100} {
3341	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3342	}

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