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source: trunk/expgui @ 152

Last change on this file since 152 was 152, checked in by toby, 14 years ago
# on 2000/05/18 15:58:18, toby did: Add constraints support move to 1st page before loading a new .EXP file in readnewexp hange from grid/pack slaves to winfo children
Property rcs:author set to `toby` Property rcs:date set to `2000/05/18 15:58:18` Property rcs:lines set to `+19 -10` Property rcs:rev set to `1.25` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.3 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 152 2009-12-04 23:01:16Z toby $
3	set expgui(Revision) {$Revision: 152 $ $Date: 2009-12-04 23:01:16 +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(debug) 0
47	catch {if $env(DEBUG) {set expgui(debug) 1}}
48	#set expgui(debug) 1
49
50	# default for archive mode = on
51	set expgui(archive) 1
52	# default for autoexec load = off
53	set expgui(autoexpload) 0
54	# save the name of the wish executable
55	set wishshell [info nameofexecutable]
56	# misc constants
57	set expgui(coordfont) "--courier-bold-r-normal--12-"
58	set expgui(histfont) "--courier-bold-r-normal--12-"
59	set liveplot(hst) 1
60	set liveplot(legend) 1
61	set expgui(filesort) 1
62	set expgui(initstring) {}
63	# use a separate window for DISAGL (default)
64	set expgui(disaglSeparateBox) 1
65	#=============================================================================
66	# Store names of profile terms.
67	array set expgui {
68	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
69	sig-2 rsca s1ec s2ec }
70	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
71	gam-2 switch ptec stec difc difa zero }
72	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
73	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
74	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
75	rstr rsta rsca eta}
76	prof-C-1 {CW-type U V W asym F1 F2 }
77	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
78	L11 L22 L33 L12 L13 L23 }
79	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
80	L11 L22 L33 L12 L13 L23 }
81	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
82	}
83	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
84	#----------------------------------------------------------------
85	# where are we?
86	set expgui(script) [info script]
87	# translate links -- go six levels deep
88	foreach i {1 2 3 4 5 6} {
89	if {[file type $expgui(script)] == "link"} {
90	set link [file readlink $expgui(script)]
91	if { [file pathtype $link] == "absolute" } {
92	set expgui(script) $link
93	} {
94	set expgui(script) [file dirname $expgui(script)]/$link
95	}
96	} else {
97	break
98	}
99	}
100	# fixup relative paths
101	if {[file pathtype $expgui(script)] == "relative"} {
102	set expgui(script) [file join [pwd] $expgui(script)]
103	}
104	set expgui(scriptdir) [file dirname $expgui(script) ]
105	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
106	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
107	#----------------------------------------------------------------
108	lappend auto_path $expgui(scriptdir)
109	set expgui(havetix) 0
110	set expgui(haveBW) 1
111	# for debugging non-BWidget version set environment variable NOBWIDGET
112	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
113	if $expgui(haveBW) {
114	if [catch {package require BWidget}] {set expgui(haveBW) 0}
115	}
116	# get the notebook widget if not using BWidgets
117	if {!$expgui(haveBW)} {source $expgui(scriptdir)/notebook.tcl}
118	#----------------------------------------------------------------
119	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
120	source [file join $expgui(scriptdir) opts.tcl]
121	}
122	# fetch EXP file processing routines
123	source [file join $expgui(scriptdir) readexp.tcl]
124	# commands for running GSAS programs
125	source [file join $expgui(scriptdir) gsascmds.tcl]
126	# contents of GSAS menus
127	source [file join $expgui(scriptdir) gsasmenu.tcl]
128	# commands for adding phases, histograms & atoms
129	source [file join $expgui(scriptdir) addcmds.tcl]
130	# commands for constraints
131	source [file join $expgui(scriptdir) atomcons.tcl]
132	#---------------------------------------------------------------------------
133	# override options with locally defined values
134	if [file exists [file join $expgui(scriptdir) localconfig]] {
135	source [file join $expgui(scriptdir) localconfig]
136	}
137	if [file exists [file join ~ .gsas_config]] {
138	source [file join ~ .gsas_config]
139	}
140	if {$tcl_platform(platform) == "windows"} {
141	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
142	} else {
143	set expgui(exptool) [file join $expgui(gsasexe) exptool]
144	}
145	#---------------------------------------------------------------------------
146	if {$expgui(expfile) != ""} {
147	if ![file exists $expgui(expfile)] {
148	update
149	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
150	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
151	error 0 "Create" "Open other"]
152	if $ans {set expgui(expfile) {}}
153	}
154	}
155	if {$expgui(expfile) == ""} {
156	# center the parent window because the getExpFileName window
157	# will be centered above it.
158	wm withdraw .
159	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
160	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
161	wm geom . +$x+$y
162	wm deiconify .
163	# windows needed this update before when using tk_getOpenFile.
164	# I am not sure it is still needed.
165	update
166	#
167	set expgui(expfile) [getExpFileName old]
168	}
169	if {$expgui(expfile) == ""} exit
170	# you've been warned this .EXP does not exist!
171	if ![file exists $expgui(expfile)] {
172	# create an "empty" exp file
173	createexp $expgui(expfile) \
174	[getstring "title for experiment $expgui(expfile)" 60 0]
175	}
176	catch {cd [string trim [file dirname $expgui(expfile)]]}
177
178	#
179	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
180	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
181	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
182	# load exp file and set up dialogs
183	proc loadexp {expfile} {
184	global expgui expmap entryvar entrycmd tcl_platform
185	set exploadtime [time {set fmt [expload $expfile]}]
186	if $expgui(debug) {puts "expload $exploadtime"}
187	# if the file was not in the correct format, force a rewrite before use
188	if {$fmt < 0} {
189	# read error
190	return
191	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
192	set expgui(changed) 1
193	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
194	set expgui(changed) 1
195	} else {
196	set expgui(changed) 0
197	}
198
199	# force exp files to be upper case, force save if name changes
200	set filetail [file tail $expfile]
201	set filetailcaps [string toupper $filetail]
202	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
203	set expgui(changed) 1
204	}
205	if {[file dirname $expfile] == "."} {
206	set expgui(expfile) $filetailcaps
207	} else {
208	set expgui(expfile) [file join \
209	[file dirname $expfile] $filetailcaps]
210	}
211
212	mapexp
213	set expgui(expModifiedLast) 0
214	catch {
215	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
216	}
217	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
218	# set the window/icon title
219	wm title . $expfile
220	set expgui(titleunchanged) 1
221	wm iconname . [file tail $expfile]
222
223	# set the number of phases on the phase page
224	setphases
225
226	# disable the "global options" that don't make sense based
227	# on the histograms present
228	foreach num {1 2 3 4 5} {
229	set flag($num) 0
230	}
231	foreach h $expmap(powderlist) {
232	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
233	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
234	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
235	[histinfo $h lam2] != 0.0} {set flag(3) 1}
236	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
237	[histinfo $h lam2] == 0.0} {set flag(4) 1}
238	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
239	}
240	foreach num {1 2 3 4 5} \
241	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
242	"Energy Disp Xray"} {
243	if $flag($num) {
244	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
245	} else {
246	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
247	}
248	}
249	# disable traces on entryvar until we are ready
250	set entrycmd(trace) 0
251	trace vdelete entryvar w entvartrace
252
253	# propogate changes on the least squares page
254	set entryvar(cycles) [expinfo cycles]
255	set entrycmd(cycles) "expinfo cycles"
256	# set expgui(globalmode) 0
257	set expgui(printopt) "Print Options ([expinfo print])"
258	set entryvar(title) [expinfo title]
259	global printopts
260	foreach num [array names printopts] {
261	set entrycmd(printopt$num) "printsetting $num"
262	set entryvar(printopt$num) [printsetting $num]
263	}
264	# enable traces on entryvar
265	set entrycmd(trace) 1
266	trace variable entryvar w entvartrace
267
268	# set fo extraction on LS page
269	SetupExtractHist
270
271	# update the histogram list & the page, if shown
272	sethistlist
273
274	# update the atoms display
275	# DisplayAllAtoms noreset
276	SelectOnePhase $expgui(curPhase)
277
278	# start checking for external changes
279	afterawhile
280	}
281
282	# called to reread the .EXP file
283	proc rereadexp {expfile} {
284	global expgui
285	if $expgui(changed) {
286	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
287	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
288	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
289	switch $decision {
290	0 { savearchiveexp }
291	1 { }
292	2 { return }
293	}
294	}
295	loadexp $expgui(expfile)
296	}
297
298	proc SaveAsFile {} {
299	global expgui
300	set newexpfile [getExpFileName new]
301	if {$newexpfile == ""} return
302	expwrite $newexpfile
303	set expgui(expfile) $newexpfile
304	catch {cd [string trim [file dirname $expgui(expfile)]]}
305	set expgui(changed) 0
306	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
307	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
308	# set the window/icon title
309	wm title . $expgui(expfile)
310	set expgui(titleunchanged) 1
311	wm iconname . [file tail $expgui(expfile)]
312	}
313
314	# called to read a different .EXP file
315	proc readnewexp {} {
316	global expgui expmap
317	if $expgui(changed) {
318	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
319	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
320	{} 0 "Save and read" "Read without Save" "Cancel read command"]
321	switch $decision {
322	0 { savearchiveexp }
323	1 { }
324	2 { return }
325	}
326	}
327	set newexpfile [getExpFileName old]
328	if {$newexpfile == ""} return
329
330	# switch to the 1st page
331	RaisePage lsFrame
332
333	if ![file exists $newexpfile] {
334	# you've been warned this .EXP does not exist!
335	# create an "empty" exp file
336	createexp $newexpfile \
337	[getstring "title for experiment $newexpfile" 60 0]
338	}
339	set expgui(expfile) $newexpfile
340	catch {cd [string trim [file dirname $expgui(expfile)]]}
341	set expgui(globalmode) 0
342	loadexp $expgui(expfile)
343
344	# select the 1st phase
345	SelectOnePhase [lindex $expmap(phaselist) 0]
346	# select the first histogram in the list by default (if there are any)
347	if {[llength $expmap(histlistboxcontents)] > 0} {
348	set expgui(curhist) 0
349	} else {
350	set expgui(curhist) {}
351	}
352	if {[CountHistory] > 100} {
353	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
354	}
355	}
356
357	#------------- set up data read/write layer ----------------------
358	# trace routine on entryvar
359	proc entvartrace {array elem action} {
360	global expgui entrycmd entryvar
361	if !$entrycmd(trace) return
362
363	catch {
364	if {$entrycmd($elem) == ""} return
365	incr expgui(changed)
366	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
367	if {$entrycmd($elem) == ""} return
368	if [catch {
369	eval $entrycmd($elem) set [list $entryvar($elem)]
370	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
371	after idle {DisplayAllAtoms noreset}
372	}
373	} errmsg] {puts "entvartrace error: $errmsg"}
374	}
375	}
376
377	# disable traces on entryvar until we are ready
378	set entrycmd(trace) 0
379	trace variable entryvar w entvartrace
380
381	#
382	#
383	#
384	##############################################################################
385	##### #####################################################
386	##### PROCEDURES SECTION #####################################################
387	##### #####################################################
388	##############################################################################
389	# reset routine is used for debugging
390	proc reset {} {
391	global expgui script argv
392	set script $expgui(script)
393	set argv $expgui(expfile)
394	# remove traces
395	global entryvar
396	foreach cmd [trace vinfo entryvar] {
397	eval trace vdelete entryvar $cmd
398	}
399	global expgui
400	foreach cmd [trace vinfo expgui(backterms)] {
401	eval trace vdelete entryvar $cmd
402	}
403	foreach cmd [trace vinfo expgui(backtype)] {
404	eval trace vdelete entryvar $cmd
405	}
406	foreach a {
407	expmap expgui entryvar entrycmd
408	expgui_menulist expgui_cmdlist expgui_helplist
409	} {
410	global $a
411	catch {unset $a}
412	}
413	foreach w [winfo children .] {
414	destroy $w
415	}
416
417	uplevel #0 {source $script}
418	}
419
420	# save some of the global options in ~/.gsas_config
421	proc SaveOptions {} {
422	global expgui env tcl_platform
423	set fp [open [file join ~ .gsas_config] a]
424	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
425	puts $fp "set expgui($item) $expgui($item)"
426	}
427	if {$tcl_platform(platform) != "windows"} {
428	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
429	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
430	}
431	close $fp
432	}
433
434	proc About { } {
435	global expgui expmap
436	tk_dialog .about {About...} \
437	"EXPGUI\n\
438	Jonathan Wasserman and Brian Toby\n\
439	NIST Center for Neutron Research\n\n\
440	1998, Not subject to copyright\n\n\
441	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
442	Generalized Structure Analysis System (GSAS)\n\
443	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
444	" \
445	info 0 OK
446	}
447
448	# wait until idle
449	proc afterawhile {} {
450	# cancel any other instances of this loop
451	after cancel afterawhile
452	after cancel whenidle
453	after cancel whenidle
454	after idle whenidle
455	}
456
457	# This is called every 2 seconds to check for changes to the .EXP file
458	proc whenidle {} {
459	global expgui
460	if $expgui(titleunchanged) {
461	if {$expgui(changed) != 0} {
462	wm title . "$expgui(expfile) (modified)"
463	set expgui(titleunchanged) 0
464	}
465	}
466	if {$expgui(expModifiedLast) == 0} {
467	after 2000 afterawhile
468	return
469	}
470	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
471	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
472	if {$ans == 0} {
473	loadexp $expgui(expfile)
474	} elseif {$ans == 1} {
475	# reset the time to the next version
476	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
477	} elseif {$ans == 2} {
478	savearchiveexp
479	}
480	}
481	after 2000 afterawhile
482	}
483
484	# place a message about changes over the main window
485	proc ReloadExpMsg {file changes} {
486	global expgui tcl_platform
487	set msg "File $file has been modified by another program"
488	if {$changes == 1} {
489	append msg " and you have made a change to this version.\n"
490	} elseif {$changes > 0} {
491	append msg " and you have made $changes changes to this version.\n"
492	} else {
493	append msg ".\n"
494	}
495	append msg "Do you want to load the newer version or lose the modification by editing the current version?"
496	set w .ask
497	catch {destroy $w}
498	toplevel $w -class Dialog
499	wm title $w "Reload?"
500	wm iconname $w "Reload?"
501	wm protocol $w WM_DELETE_WINDOW { }
502	wm transient $w .
503	frame $w.bot
504	pack $w.bot -side bottom
505	frame $w.top
506	pack $w.top -side top -fill both -expand 1
507	label $w.top.msg -justify left \
508	-wraplength 5i -font {Times 18} \
509	-text $msg
510	if {$tcl_platform(platform) == "windows"} {
511	$w.top.msg config -font {Times 14}
512	}
513	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
514	pack [button $w.bot.1 -text "Load new" \
515	-default active -command "set expgui(dialogbutton) 0" \
516	] -side left -expand 1 -padx 3m -pady 2m
517	pack [button $w.bot.2 -text "Continue editing" \
518	-command "set expgui(dialogbutton) 1"] \
519	-side left -expand 1 -padx 3m -pady 2m
520	if {$changes > 0} {
521	pack [button $w.bot.3 -text "Save edited version" \
522	-command "set expgui(dialogbutton) 2"] \
523	-side left -expand 1 -padx 3m -pady 2m
524	}
525	# Create a binding for <Return> on the dialog
526	bind $w <Return> "tkButtonInvoke $w.bot.1"
527	wm withdraw $w
528	update idletasks
529
530	# for windows put the box in the upper left, for
531	# unix center it over the parent (in unix it appears later)
532	#if {$tcl_platform(platform) == "windows"} {
533	#wm geom $w +0+0
534	#} else {
535
536	# for now, always center the message over the main window
537	# center the new window in the middle of the parent
538	set x [expr [winfo x .] + [winfo width .]/2 - \
539	[winfo reqwidth $w]/2 - [winfo vrootx .]]
540	set y [expr [winfo y .] + [winfo height .]/2 - \
541	[winfo reqheight $w]/2 - [winfo vrooty .]]
542	wm geom $w +$x+$y
543	#}
544	wm deiconify $w
545
546	# Grab the focus
547	set oldFocus [focus]
548	set oldGrab [grab current $w]
549	if {[string compare $oldGrab ""]} {
550	set grabStatus [grab status $oldGrab]
551	}
552	grab $w
553	focus $w.bot.1
554	# for windows rearrange window stacking
555	if {$tcl_platform(platform) == "windows"} {
556	lower .
557	raise $w .
558	}
559	update idletasks
560
561	tkwait variable expgui(dialogbutton)
562	catch {focus $oldFocus}
563	destroy $w
564	if {[string compare $oldGrab ""]} {
565	if {![string compare $grabStatus "global"]} {
566	grab -global $oldGrab
567	} else {
568	grab $oldGrab
569	}
570	}
571	raise .
572	return $expgui(dialogbutton)
573	}
574
575	# -------- called to confirm before exiting
576	proc catchQuit {} {
577	if {[confirmBeforeSave] == "Continue"} {
578	destroy .
579	}
580	}
581	# save the .EXP file before exiting?
582	proc confirmBeforeSave {} {
583	global expgui
584	if !$expgui(changed) {
585	return "Continue"
586	}
587	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
588	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
589	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
590	switch $decision {
591	0 { savearchiveexp; return "Continue" }
592	1 { return "Continue" }
593	2 { return "Cancel" }
594	}
595	}
596
597	proc archiveexp {} {
598	global expgui tcl_platform
599	# is there a file to archive
600	if {![file exists $expgui(expfile)]} return
601	catch {
602	set expnam [file rootname $expgui(expfile)]
603	if {$tcl_platform(platform) == "windows"} {
604	set version -1
605	catch {source $expnam.version}
606	incr version
607	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
608	# archive w/o pkzip
609	set file $expnam![format "%3.3d" $version].EXP
610	file copy -force $expnam.EXP $file
611	set fp [open $expnam.lst a]
612	puts $fp "\n--------------------------------------------------------------"
613	puts $fp "Archiving $expnam.EXP as $file"
614	puts $fp "--------------------------------------------------------------\n"
615	close $fp
616	} else {
617	# archive with PKZIP
618	# need to limit expnam to 8 characters
619	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
620	# PKZIP can't handle long dir names either
621	cd [set dir [file dirname $expnam]]
622	set file $sexp.[format "%3.3d" $version]
623	file copy -force $expnam.EXP $file
624	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
625	set fp [open $expnam.lst a]
626	puts $fp "\n--------------------------------------------------------------"
627	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
628	puts $fp "--------------------------------------------------------------\n"
629	close $fp
630	}
631	set fp [open $expnam.version w]
632	puts $fp "set version $version"
633	close $fp
634	} else {
635	set files [glob -nocomplain $expnam.EXP.*]
636	if {$files == ""} {
637	set file $expnam.EXP.000
638	} else {
639	set file [lindex [lsort -decreasing $files] 0]
640	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
641	incr number
642	set file $expnam.EXP.[format "%3.3d" $number]
643	}
644	exec cp $expgui(expfile) $file
645	if [catch {exec gzip $file}] {
646	exec echo "\n----------------------------------------------" >> $expnam.LST
647	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
648	exec echo "----------------------------------------------\n" >> $expnam.LST
649	} else {
650	exec echo "\n----------------------------------------------" >> $expnam.LST
651	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
652	exec echo "----------------------------------------------\n" >> $expnam.LST
653	}
654	}
655	} errmsg
656	if {$errmsg != ""} {
657	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
658	}
659	}
660
661	# save and optionally archive the expfile
662	proc savearchiveexp {} {
663	global expgui expmap
664	if !$expgui(changed) return
665	if $expgui(archive) archiveexp
666	# add a history record
667	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
668	# now save the file
669	expwrite $expgui(expfile)
670	set expgui(changed) 0
671	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
672	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
673	wm title . $expgui(expfile)
674	set expgui(titleunchanged) 1
675	}
676
677	# setup buttons for each phase on the phase page
678	proc setphases {} {
679	global expgui expmap
680	eval destroy [winfo children $expgui(phaseFrame).top.ps]
681	foreach num $expmap(phaselist) type $expmap(phasetype) {
682	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
683	-command "SelectOnePhase $num"] -side left
684	if {$type > 3} {
685	$expgui(phaseFrame).top.ps.$num config -state disabled
686	}
687	}
688	}
689
690	# Procedure to respond to changes the phase.
691	# This loads the "phases" widgets with data corresponding to the selected phase.
692	proc SelectOnePhase {num} {
693	global entryvar entrycmd expmap expgui
694	set crsPhase {}
695	foreach n $expmap(phaselist) type $expmap(phasetype) {
696	if {$n == $num && $type <= 3} {
697	$expgui(phaseFrame).top.ps.$num config -relief sunken
698	set crsPhase $num
699	if {$type == 3} {
700	set expgui(phasetype) "Magnetic\nOnly"
701	} elseif {$type == 2} {
702	set expgui(phasetype) "Magnetic\n& Nuclear"
703	} elseif {$type == 4} {
704	# this is not used at present
705	set expgui(phasetype) "Macromolecular"
706	} else {
707	set expgui(phasetype) ""
708	}
709	} else {
710	$expgui(phaseFrame).top.ps.$n config -relief raised
711	}
712	}
713	# no phase is selected
714	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
715	# disable traces on entryvar
716	set entrycmd(trace) 0
717	set entrycmd(phasename) ""
718	set entryvar(phasename) ""
719	foreach ent {a b c alpha beta gamma cellref celldamp} {
720	set entrycmd($ent) ""
721	set entryvar($ent) ""
722	}
723	set expgui(curPhase) {}
724	# enable traces on entryvar
725	set entrycmd(trace) 1
726	$expgui(EditingAtoms) config -text ""
727	DisplayAtom 0 0
728	DisplayU 0 0
729	DisplayRefFlags 0 0
730	$expgui(atomlistbox) delete 0 end
731	return
732	}
733
734	set expgui(curPhase) $crsPhase
735	# we have a phase
736
737	# disable traces on entryvar for right now
738	set entrycmd(trace) 0
739
740	##########################################################
741	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
742	##########################################################
743	# phase title
744	set entrycmd(phasename) "phaseinfo $crsPhase name"
745	set entryvar(phasename) [phaseinfo $crsPhase name]
746	# cell parameters & flags
747	foreach ent {a b c alpha beta gamma cellref celldamp} {
748	set entrycmd($ent) "phaseinfo $crsPhase $ent"
749	set entryvar($ent) [phaseinfo $crsPhase $ent]
750	}
751
752	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
753	# initialize to diasbled
754	DisplayAtom 0 0
755	DisplayU 0 0
756	DisplayRefFlags 0 0
757	$expgui(EditingAtoms) config -text ""
758
759	DisplayAllAtoms
760
761	# enable traces on entryvar now
762	set entrycmd(trace) 1
763	}
764
765	set expgui(noreenterDisplayAllAtoms) 0
766	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
767	proc DisplayAllAtoms {"mode reset"} {
768	global entryvar entrycmd expmap expgui
769	# if it does not show, dont bother
770	if {$expgui(pagenow) != "phaseFrame"} return
771	if {$expgui(curPhase) == ""} return
772	if $expgui(noreenterDisplayAllAtoms) return
773
774	set expgui(noreenterDisplayAllAtoms) 1
775	if {$mode != "reset"} {
776	# save the scrolled position
777	set pos [lindex [$expgui(atomlistbox) yview] 0]
778	} else {
779	# this is a reset -- clear the selected atoms list
780	set expgui(selectedatomlist) {}
781	}
782	$expgui(atomlistbox) delete 0 end
783	# loop over atoms
784	set maxline I
785	set phase $expgui(curPhase)
786	set atomlist {}
787	if {$expgui(asorttype) == "type"} {
788	# sort on atom type
789	foreach atom $expmap(atomlist_$phase) {
790	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
791	}
792	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
793	} elseif {$expgui(asorttype) == "number"} {
794	# sort on atom number
795	foreach atom $expmap(atomlist_$phase) {
796	lappend atomlist "$atom $atom $phase"
797	}
798	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
799	} elseif {$expgui(asorttype) == "x"} {
800	# sort on x
801	foreach atom $expmap(atomlist_$phase) {
802	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
803	}
804	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
805	} elseif {$expgui(asorttype) == "y"} {
806	# sort on y
807	foreach atom $expmap(atomlist_$phase) {
808	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
809	}
810	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
811	} elseif {$expgui(asorttype) == "z"} {
812	# sort on z
813	foreach atom $expmap(atomlist_$phase) {
814	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
815	}
816	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
817	} else {
818	error "Bad expgui(asorttype = $expgui(asorttype)"
819	}
820
821	foreach tuple $expmap(atomlistboxcontents) {
822	set atom [lindex $tuple 0]
823	set phase [lindex $tuple 2]
824	set refflag {}
825	foreach type {x u f} {
826	if {[atominfo $phase $atom ${type}ref]} {
827	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
828	} else {
829	append refflag " [atominfo $phase $atom ${type}damp] "
830	}
831	}
832	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
833	$atom \
834	[atominfo $phase $atom label] \
835	[atominfo $phase $atom type] \
836	$refflag \
837	[atominfo $phase $atom x] \
838	[atominfo $phase $atom y] \
839	[atominfo $phase $atom z] \
840	[atominfo $phase $atom frac]
841	]
842	# add temperature factors (iso/anoiso)
843	if {[atominfo $phase $atom temptype] == "A"} {
844	set maxline A
845	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
846	[atominfo $phase $atom U11] \
847	[atominfo $phase $atom U22] \
848	[atominfo $phase $atom U33] \
849	[atominfo $phase $atom U12] \
850	[atominfo $phase $atom U23] \
851	[atominfo $phase $atom U13]
852	]
853	} else {
854	append line [format " %9.5f" \
855	[atominfo $phase $atom Uiso]
856	]
857	}
858	$expgui(atomlistbox) insert end $line
859	}
860	$expgui(atomtitle) delete 0 end
861	if {$maxline == "A"} {
862	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
863	" name " "type " "ref/damp " "fractional coordinates " \
864	" Occupancy" \
865	"Uiso/Uij "]
866	} else {
867	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
868	" name " "type " "ref/damp " "fractional coordinates " \
869	" Occupancy" \
870	"Uiso"]
871	}
872	if {$mode != "reset"} {
873	# restore the selected items
874	foreach i $expgui(selectedatomlist) {
875	$expgui(atomlistbox) selection set $i
876	}
877	# restore the last scrolled position
878	$expgui(atomlistbox) yview moveto $pos
879	}
880	set expgui(noreenterDisplayAllAtoms) 0
881	}
882
883	# Procedure to select all atoms in response to a right-click
884	proc SelectAllAtoms {} {
885	global expgui
886	$expgui(atomlistbox) selection set 0 end
887	# call editRecord in case trace was called before the selection was made
888	editRecord
889	}
890
891	# Procedure to respond to left mouse release in the atoms Pane
892	proc editRecord { args } {
893	global entrycmd expgui
894	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
895	# disable traces on entryvar for right now
896	set entrycmd(trace) 0
897
898	if {[llength $expgui(selectedatomlist)] == 0} {
899	puts "How did this happen: [$expgui(atomlistbox) curselection]"
900	} elseif {[llength $expgui(selectedatomlist)] == 1} {
901	editOneRecord $expgui(selectedatomlist)
902	} else {
903	editMultipleRecords $expgui(selectedatomlist)
904	}
905	# reenable traces on entryvar
906	set entrycmd(trace) 1
907	# repaint the atoms box in case anything was changed
908	# DisplayAllAtoms noreset
909	}
910
911	proc editOneRecord { AtomIndex } {
912	global expmap expgui
913	# get atom number & phase
914	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
915	set atomnum [lindex $tuple 0]
916	set p [lindex $tuple 2]
917	DisplayU $atomnum $p
918	DisplayAtom $atomnum $p
919	DisplayRefFlags $atomnum $p
920	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
921	}
922
923	# this will not work for a multi-phase list of atoms (yet)
924	proc editMultipleRecords { AtomIndexList } {
925	global expmap expgui
926	set numberList {}
927	# current phase
928	set p $expgui(curPhase)
929	foreach AtomIndex $AtomIndexList {
930	# get atom number & phase
931	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
932	lappend numberList [lindex $tuple 0]
933	# set p [lindex $tuple 2]
934	}
935	# this needs to track by phase
936	$expgui(EditingAtoms) config -text \
937	"Set refinement options: atoms [CompressList $numberList]"
938	DisplayU 0 0
939	DisplayAtom 0 0
940	# this needs to track by phase
941	DisplayRefFlags $numberList $p
942	}
943
944	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
945	# becomes "1-4,6,7,13-15,19"
946	proc CompressList {numberList} {
947	# format the number list to save space
948	set lastnum -99
949	set flist {}
950	set count 0
951	foreach num [lsort -integer $numberList] {
952	set next [expr $lastnum+1]
953	if {$num != $next} {
954	if {$count == 0 && $flist != ""} {
955	append flist ",$num"
956	} elseif {$count == 1 && $flist != ""} {
957	append flist ",$lastnum,$num"
958	} elseif {$flist != ""} {
959	append flist "-$lastnum,$num"
960	} else {
961	append flist "$num"
962	}
963	set lastnum $num
964	set count 0
965	} else {
966	incr count
967	incr lastnum
968	}
969	}
970	if {$count == 1 && $flist != ""} {
971	append flist ",$lastnum"
972	} elseif {$flist != "" && $count > 1} {
973	append flist "-$lastnum"
974	}
975	return $flist
976	}
977
978	# Procedure to display Isotropic or Anisotropic temperature factors
979	# Changes the display to one entry widget for Isotropic motion OR
980	# 6 entry widgets for Anisotropic motion in Frame3.
981	# or disables the widet entirly if atom = 0
982	proc DisplayU { atomnum p} {
983	global expgui entryvar entrycmd
984	if {$atomnum == 0} {
985	set iOrA disable
986	} else {
987	set iOrA [atominfo $p $atomnum temptype]
988	}
989
990	set firstbox [lindex $expgui(anisolabels) 0]
991	if { $iOrA == "A" } {
992	$firstbox config -text "U11 "
993	foreach item $expgui(anisolabels) {
994	$item config -fg black
995	}
996	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
997	set entrycmd($var) "atominfo $p $atomnum $var"
998	set entryvar($var) [eval $entrycmd($var)]
999	$item config -fg black -state normal -bg white
1000	}
1001	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1002	foreach item $expgui(anisolabels) {
1003	# $item config -fg grey
1004	$item config -fg beige
1005	}
1006	foreach item [lrange $expgui(anisoentry) 1 end] \
1007	var {U22 U33 U12 U13 U23} {
1008	set entrycmd($var) ""
1009	set entryvar($var) ""
1010	$item config -fg beige -bg beige -state disabled
1011	}
1012	if { $iOrA == "disable"} {
1013	set entrycmd($var) ""
1014	set entryvar($var) ""
1015	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1016	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1017	} else {
1018	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1019	set entryvar(U11) [eval $entrycmd(U11)]
1020	$firstbox config -text Uiso -fg black
1021	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1022	}
1023	}
1024	}
1025
1026	# need to think about multiple phases
1027
1028	# Procedure to display refinement flags
1029	proc DisplayRefFlags { atomnum p} {
1030	global expgui entryvar entrycmd
1031	if {$atomnum == 0} {
1032	foreach label $expgui(atomreflbl) {
1033	$label config -fg beige
1034	}
1035	foreach entry $expgui(atomref) {
1036	$entry config -state disabled -fg beige -bg beige
1037	}
1038	return
1039	}
1040	foreach label $expgui(atomreflbl) {
1041	$label config -fg black
1042	}
1043	foreach entry $expgui(atomref) {
1044	$entry config -state normal -fg black -bg beige
1045	}
1046	foreach var {xref uref fref xdamp udamp fdamp} {
1047	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1048	set entryvar($var) [eval $entrycmd($var)]
1049	}
1050	}
1051
1052	# Procedure to display an atom in the atom edit boxes
1053	proc DisplayAtom { atomnum p} {
1054	global expgui entryvar entrycmd
1055	if {$atomnum == 0} {
1056	foreach label $expgui(atomlabels) {
1057	$label config -fg beige
1058	}
1059	foreach entry $expgui(atomentry) {
1060	$entry config -state disabled -fg beige -bg beige
1061	}
1062	return
1063	}
1064	foreach label $expgui(atomlabels) {
1065	$label config -fg black
1066	}
1067	foreach entry $expgui(atomentry) {
1068	$entry config -state normal -fg black -bg white
1069	}
1070	foreach var {x y z label frac } {
1071	set entrycmd($var) "atominfo $p $atomnum $var"
1072	set entryvar($var) [eval $entrycmd($var)]
1073	}
1074	}
1075
1076	# update the histogram list
1077	# to do: show histogram ref flags?
1078	proc sethistlist {} {
1079	global expgui expmap
1080	foreach lbox $expgui(HistSelectList) {
1081	$lbox.title delete 0 end
1082	$lbox.lbox delete 0 end
1083	if {$expgui(globalmode) != 0} {
1084	$lbox.lbox config -selectmode extended
1085	} else {
1086	$lbox.lbox config -selectmode browse
1087	}
1088	}
1089	# disable the unallowed pages in all mode
1090	if {$expgui(globalmode) == 6} {
1091	foreach pair $expgui(GlobalModeAllDisable) {
1092	if {$expgui(pagenow) == [lindex $pair 0]} {
1093	RaisePage lsFrame
1094	}
1095	eval [lindex $pair 1] -state disabled
1096	}
1097	} else {
1098	foreach pair $expgui(GlobalModeAllDisable) {
1099	eval [lindex $pair 1] -state normal
1100	}
1101	}
1102	set histlist {}
1103	if {$expgui(hsorttype) == "type"} {
1104	# sort on histogram type
1105	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1106	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1107	}
1108	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1109	} elseif {$expgui(hsorttype) == "number"} {
1110	# sort on histogram number
1111	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1112	lappend histlist "$h $h"
1113	}
1114	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1115	} elseif {$expgui(hsorttype) == "bank"} {
1116	# sort on original bank number
1117	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1118	lappend histlist "$h [histinfo $h bank]"
1119	}
1120	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1121	} elseif {$expgui(hsorttype) == "angle"} {
1122	# sort on wavelength (CW) or angle (E disp.)
1123	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1124	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1125	set det [format %8.2f [histinfo $h tofangle]]
1126	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1127	set det [format %8.5f [histinfo $h lam1]]
1128	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1129	set det [format %8.2f [histinfo $h lam1]]
1130	} else {
1131	set det {}
1132	}
1133	lappend histlist "$h $det"
1134	}
1135	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1136	}
1137
1138	# title field needs to match longest title
1139	foreach lbox $expgui(HistSelectList) {
1140	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1141	"h#" \
1142	type \
1143	bank \
1144	"ang/wave" \
1145	" title" \
1146	]
1147	}
1148	foreach tuple $expmap(histlistboxcontents) {
1149	set h [lindex $tuple 0]
1150
1151	if {$expgui(globalmode) == 1} {
1152	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1153	} elseif {$expgui(globalmode) == 2} {
1154	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1155	} elseif {$expgui(globalmode) == 3} {
1156	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1157	[histinfo $h lam2] == 0.0} continue
1158	} elseif {$expgui(globalmode) == 4} {
1159	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1160	[histinfo $h lam2] != 0.0} continue
1161	} elseif {$expgui(globalmode) == 5} {
1162	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1163	}
1164
1165	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1166	set det [format %8.2f [histinfo $h tofangle]]
1167	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1168	set det [format %8.5f [histinfo $h lam1]]
1169	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1170	set det [format %8.2f [histinfo $h lam1]]
1171	} else {
1172	set det {}
1173	}
1174	foreach lbox $expgui(HistSelectList) {
1175	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1176	$h \
1177	[string range $expmap(htype_$h) 1 2] \
1178	[histinfo $h bank] \
1179	$det \
1180	[string range [histinfo $h title] 0 66] \
1181	]
1182	}
1183	}
1184	foreach set $expgui(frameactionlist) {
1185	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1186	}
1187	}
1188
1189	#-----------------------------------------------------------------------
1190	# ----------- draw Histogram page
1191	#-----------------------------------------------------------------------
1192	proc DisplayHistogram {} {
1193	global expgui entrycmd entryvar expmap
1194
1195	# trap if more than one histogram is selected unless global mode
1196	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1197	set expgui(curhist) [lindex $expgui(curhist) 0]
1198	}
1199
1200	# display the selected histograms
1201	$expgui(histFrame).hs.lbox selection clear 0 end
1202	foreach h $expgui(curhist) {
1203	$expgui(histFrame).hs.lbox selection set $h
1204	}
1205
1206	# disable traces on entryvar for right now
1207	set entrycmd(trace) 0
1208
1209	# get histogram list
1210	set histlist {}
1211	foreach item $expgui(curhist) {
1212	lappend histlist [lindex $expmap(powderlist) $item]
1213	}
1214	# must have at least one histogram selected here
1215	if {[llength $histlist] == 0} {
1216	set expgui(backtermlbl) ""
1217	set expgui(backtypelbl) ""
1218	foreach var {bref bdamp} {
1219	set entrycmd($var) ""
1220	set entryvar($var) ""
1221	}
1222	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1223	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1224	set expgui(bkglbl) ""
1225	eval destroy [winfo children $expgui(diffBox)]
1226	set entrycmd(trace) 1
1227	return
1228	}
1229
1230	if {$expgui(globalmode) != 0} {
1231	set expgui(backtermlbl) ""
1232	set expgui(backtypelbl) ""
1233	foreach var {bref bdamp} {
1234	set entrycmd($var) "histinfo [list $histlist] $var"
1235	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1236	}
1237	} else {
1238	set hist $histlist
1239	set terms [histinfo $hist backterms]
1240	set expgui(backtermlbl) "($terms terms)"
1241	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1242	foreach var {bref bdamp} {
1243	set entrycmd($var) "histinfo $hist $var"
1244	set entryvar($var) [eval $entrycmd($var)]
1245	}
1246	}
1247	# Top box
1248	if {$expgui(globalmode) != 0} {
1249	$expgui(histFrame).top.txt config \
1250	-text "Selected Histograms: [CompressList $histlist]"
1251	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1252	set expgui(bkglbl) "Globally Edit Background"
1253	} else {
1254	grid forget $expgui(histFrame).top
1255	set expgui(bkglbl) "Edit Background"
1256	}
1257
1258	# diffractometer constants
1259	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1260	wref pref dcref daref ratref ttref zref } {
1261	set entrycmd($var) "histinfo [list $histlist] $var"
1262	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1263	}
1264
1265	eval destroy [winfo children $expgui(diffBox)]
1266	if {$expgui(globalmode) == 0} {
1267	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1268	#------
1269	# TOF \|
1270	#------
1271	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1272	-column 1 -row 1
1273	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1274	-column 2 -row 1
1275	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1276	-column 3 -row 1 -sticky w
1277	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1278	-width 15 ] -column 4 -row 1
1279	#
1280	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1281	-column 1 -row 2
1282	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1283	-column 2 -row 2
1284	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1285	-column 3 -row 2
1286	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1287	-width 15 ] -column 4 -row 2
1288	#
1289	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1290	-column 3 -row 3
1291	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1292	-width 15 ] -column 4 -row 3
1293	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1294	-column 1 -row 3 -sticky w
1295	grid [ checkbutton $expgui(diffBox).rfDCzref \
1296	-variable entryvar(zref) ] -column 2 -row 3
1297	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1298	#---------------
1299	# CW - neutron \|
1300	#---------------
1301	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1302	-column 1 -row 1
1303	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1304	-column 2 -row 1
1305	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1306	-column 3 -row 1 -sticky w
1307	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1308	-width 15 ] -column 4 -row 1
1309	#
1310	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1311	-column 1 -row 3 -sticky w
1312	grid [ checkbutton $expgui(diffBox).rfDCzref \
1313	-variable entryvar(zref) ] -column 2 -row 3
1314	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1315	-column 3 -row 3
1316	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1317	-width 15 ] -column 4 -row 3
1318	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1319	[histinfo $hist lam2] == 0.0} {
1320	#--------------------------
1321	# CW - x-ray 1 wavelength \|
1322	#--------------------------
1323	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1324	-column 1 -row 1
1325	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1326	-column 2 -row 1
1327	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1328	-column 3 -row 1 -sticky w
1329	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1330	-width 15 ] -column 4 -row 1
1331	#
1332	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1333	-column 1 -row 3 -sticky w
1334	grid [ checkbutton $expgui(diffBox).rfDCzref \
1335	-variable entryvar(zref) ] -column 2 -row 3
1336	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1337	-column 3 -row 3
1338	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1339	-width 15 ] -column 4 -row 3
1340	#
1341	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1342	-column 1 -row 4 -sticky w
1343	grid [ checkbutton $expgui(diffBox).rfDCpref \
1344	-variable entryvar(pref) ] -column 2 -row 4
1345	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1346	-column 3 -row 4
1347	grid [ entry $expgui(diffBox).eDCpola \
1348	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1349	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1350	-column 5 -row 4
1351	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1352	-textvariable entryvar(ipola)] -column 6 -row 4
1353	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1354	#---------------------------
1355	# CW - x-ray 2 wavelengths \|
1356	#---------------------------
1357	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1358	-column 3 -row 1 -sticky w
1359	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1360	-width 15 ] -column 4 -row 1
1361	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1362	-width 15 ] -column 5 -row 1
1363	#
1364	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1365	-column 1 -row 2 -sticky w
1366	grid [ checkbutton $expgui(diffBox).rfDCrref \
1367	-variable entryvar(ratref) ] -column 2 -row 2
1368	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1369	-column 3 -row 2
1370	grid [ entry $expgui(diffBox).eDCkratio \
1371	-textvariable entryvar(kratio) \
1372	-width 15 ] -column 4 -row 2
1373	#
1374	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1375	-column 3 -row 3
1376	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1377	-width 15 ] -column 4 -row 3
1378	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1379	-column 1 -row 3 -sticky w
1380	grid [ checkbutton $expgui(diffBox).rfDCzref \
1381	-variable entryvar(zref) ] -column 2 -row 3
1382	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1383	-column 1 -row 4 -sticky w
1384	grid [ checkbutton $expgui(diffBox).rfDCpref \
1385	-variable entryvar(pref) ] -column 2 -row 4
1386	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1387	-column 3 -row 4
1388	grid [ entry $expgui(diffBox).eDCpola \
1389	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1390	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1391	-column 5 -row 4
1392	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1393	-textvariable entryvar(ipola)] -column 6 -row 4
1394	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1395	#-------------
1396	# ED - x-ray \|
1397	#-------------
1398	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1399	-column 1 -row 1
1400	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1401	-column 2 -row 1
1402	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1403	-column 3 -row 1 -sticky w
1404	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1405	-width 15 ] -column 4 -row 1
1406	#
1407	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1408	-column 1 -row 4 -sticky w
1409	grid [ checkbutton $expgui(diffBox).rfDCpref \
1410	-variable entryvar(pref) ] -column 2 -row 4
1411	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1412	-column 3 -row 4
1413	grid [ entry $expgui(diffBox).eDCpola \
1414	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1415	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1416	-column 5 -row 4
1417	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1418	-textvariable entryvar(ipola)] -column 6 -row 4
1419	}
1420	} elseif {$expgui(globalmode) == 1} {
1421	#-------------
1422	# Global TOF \|
1423	#-------------
1424	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1425	-column 1 -row 1
1426	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1427	-column 2 -row 1
1428	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1429	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1430	#
1431	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1432	-column 1 -row 2
1433	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1434	-column 2 -row 2
1435	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1436	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1437	#
1438	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1439	-column 1 -row 3 -sticky w
1440	grid [ checkbutton $expgui(diffBox).rfDCzref \
1441	-variable entryvar(zref) ] -column 2 -row 3
1442	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1443	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1444	} elseif {$expgui(globalmode) == 2} {
1445	#--------------------
1446	# Global CW neutron \|
1447	#--------------------
1448	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1449	-column 1 -row 1
1450	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1451	-column 2 -row 1
1452	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1453	-command "editglobalparm histinfo lam1 Wavelength"] \
1454	-column 3 -row 1
1455	#
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 [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1461	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1462	} elseif {$expgui(globalmode) == 4} {
1463	#----------------------
1464	# Global CW mono xray \|
1465	#----------------------
1466	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1467	-column 1 -row 1
1468	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1469	-column 2 -row 1
1470	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1471	-command "editglobalparm histinfo lam1 Wavelength"] \
1472	-column 3 -row 1
1473	#
1474	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1475	-column 1 -row 3 -sticky w
1476	grid [ checkbutton $expgui(diffBox).rfDCzref \
1477	-variable entryvar(zref) ] -column 2 -row 3
1478	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1479	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1480	#
1481	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1482	-column 1 -row 4 -sticky w
1483	grid [ checkbutton $expgui(diffBox).rfDCpref \
1484	-variable entryvar(pref) ] -column 2 -row 4
1485	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1486	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1487	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1488	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1489	} elseif {$expgui(globalmode) == 3} {
1490	#------------------------
1491	# Global alpha 1,2 xray \|
1492	#------------------------
1493	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1494	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1495	-column 3 -row 1
1496	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1497	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1498	-column 4 -row 1
1499	#
1500	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1501	-column 1 -row 3 -sticky w
1502	grid [ checkbutton $expgui(diffBox).rfDCratref \
1503	-variable entryvar(ratref) ] -column 2 -row 3
1504	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1505	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1506	-column 3 -row 3
1507	#
1508	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1509	-column 1 -row 3 -sticky w
1510	grid [ checkbutton $expgui(diffBox).rfDCzref \
1511	-variable entryvar(zref) ] -column 2 -row 3
1512	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1513	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1514	#
1515	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1516	-column 1 -row 4 -sticky w
1517	grid [ checkbutton $expgui(diffBox).rfDCpref \
1518	-variable entryvar(pref) ] -column 2 -row 4
1519	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1520	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1521	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1522	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1523	} elseif {$expgui(globalmode) == 5} {
1524	#-----------------
1525	# Global ED xray \|
1526	#-----------------
1527	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1528	-column 1 -row 1
1529	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1530	-column 2 -row 1
1531	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1532	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1533	-column 3 -row 1
1534	#
1535	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1536	-column 1 -row 4 -sticky w
1537	grid [ checkbutton $expgui(diffBox).rfDCpref \
1538	-variable entryvar(pref) ] -column 2 -row 4
1539	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1540	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1541	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1542	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1543	}
1544	if {$expgui(globalmode) == 0} {
1545	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1546	-columnspan 2 -sticky e
1547	} else {
1548	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1549	-columnspan 2 -sticky e
1550	}
1551	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1552	-column 1 -row 1
1553	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1554	grid $expgui(diffBox).d.om -column 2 -row 1
1555	grid columnconfigure $expgui(diffBox) 9 -weight 1
1556	grid columnconfigure $expgui(diffBox) 0 -weight 1
1557	update idletasks
1558	# enable traces on entryvar now
1559	set entrycmd(trace) 1
1560	}
1561
1562	#-----------------------------------------------------------------------
1563	# populate the Scaling page
1564	#-----------------------------------------------------------------------
1565	proc DisplayFrac {} {
1566	global expgui entrycmd entryvar expmap
1567
1568	# trap if more than one histogram is selected unless global mode
1569	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1570	set expgui(curhist) [lindex $expgui(curhist) 0]
1571	}
1572
1573	# display the selected histograms
1574	$expgui(fracFrame).hs.lbox selection clear 0 end
1575	foreach h $expgui(curhist) {
1576	$expgui(fracFrame).hs.lbox selection set $h
1577	}
1578
1579	# disable traces on entryvar
1580	set entrycmd(trace) 0
1581
1582	# get histogram list
1583	set histlist {}
1584	foreach item $expgui(curhist) {
1585	lappend histlist [lindex $expmap(powderlist) $item]
1586	}
1587
1588	# must have at least one histogram selected here
1589	if {[llength $histlist] == 0} {
1590	foreach var {scale sref sdamp} {
1591	set entrycmd($var) ""
1592	set entryvar($var) ""
1593	}
1594	set parm [grid info $expgui(scaleBox).but1]
1595	if {$parm != ""} {
1596	grid forget $expgui(scaleBox).but1
1597	eval grid $expgui(scaleBox).ent1 $parm
1598	}
1599	# destroy the contents of the frame
1600	set phaseFractf1 $expgui(FracBox).f
1601	eval destroy [winfo children $phaseFractf1]
1602	# reenable traces on entryvar
1603	set entrycmd(trace) 1
1604	return
1605	}
1606
1607	#--------------
1608	# Scale factor
1609	#--------------
1610	if {$expgui(globalmode) != 0} {
1611	foreach var {scale sref sdamp} {
1612	set entrycmd($var) "histinfo [list $histlist] $var"
1613	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1614	}
1615	set parm [grid info $expgui(scaleBox).ent1]
1616	if {$parm != ""} {
1617	grid forget $expgui(scaleBox).ent1
1618	eval grid $expgui(scaleBox).but1 $parm
1619	}
1620	} else {
1621	set hist $histlist
1622	foreach var {scale sref sdamp} {
1623	set entrycmd($var) "histinfo $hist $var"
1624	set entryvar($var) [eval $entrycmd($var)]
1625	}
1626	set parm [grid info $expgui(scaleBox).but1]
1627	if {$parm != ""} {
1628	grid forget $expgui(scaleBox).but1
1629	eval grid $expgui(scaleBox).ent1 $parm
1630	}
1631	}
1632
1633	#----------------
1634	# Phase Fractions
1635	#----------------
1636	set phaseFractf1 $expgui(FracBox).f
1637	# destroy the contents of the frame
1638	eval destroy [winfo children $phaseFractf1]
1639	if {$expgui(globalmode) != 0} {
1640	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1641	} else {
1642	set txt "Phase Fractions"
1643	}
1644	if $expgui(haveBW) {
1645	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1646	} else {
1647	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1648	-column 0 -row 0 -sticky news
1649	}
1650	# Create the frame inside the canvas, One frame for each Phase.
1651	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1652	foreach hist $histlist {
1653	foreach i $expmap(phaselist_$hist) {
1654	lappend phasehistlist($i) $hist
1655	}
1656	}
1657	foreach i {1 2 3 4 5 6 7 8 9} {
1658	if {[llength $phasehistlist($i)] == 0} continue
1659	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1660	grid $framePF -column 0 -row $i -sticky ew
1661	# Label Heading for each phase.
1662	if {$expgui(globalmode) != 0} {
1663	grid [label $framePF.l1 \
1664	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1665	-column 0 -row 0 -sticky nws
1666	grid [button $framePF.but1 -text "Set Globally" \
1667	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1668	[list $phasehistlist($i)] $i" \
1669	] -column 1 -row 0
1670	} else {
1671	grid [label $framePF.l1 -text "Phase $i"] \
1672	-column 0 -row 0 -sticky nws
1673	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1674	-column 1 -row 0
1675	}
1676	set entrycmd(frac$i) "hapinfo $hist $i frac"
1677	set entryvar(frac$i) [hapinfo $hist $i frac]
1678	grid [label $framePF.l2 -text " Refine"] \
1679	-column 2 -row 0 -sticky nws
1680	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1681	-column 3 -row 0 -sticky nws
1682	set entrycmd(frref$i) "hapinfo $hist $i frref"
1683	set entryvar(frref$i) [hapinfo $hist $i frref]
1684	grid [label $framePF.l3 -text " Damping"] \
1685	-column 4 -row 0 -sticky nws
1686	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1687	0 1 2 3 4 5 6 7 8 9
1688	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1689	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1690	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1691	}
1692	# resize the scroll window to match the actual
1693	update idletasks
1694	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1695	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1696	update idletasks
1697	# enable traces on entryvar now
1698	set entrycmd(trace) 1
1699	}
1700
1701	#-----------------------------------------------------------------------
1702	# display the profile page
1703	#-----------------------------------------------------------------------
1704	proc DisplayProfile {} {
1705	global expgui entrycmd entryvar expmap
1706
1707	# trap if more than one histogram is selected unless global mode
1708	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1709	set expgui(curhist) [lindex $expgui(curhist) 0]
1710	}
1711	# display the selected histograms
1712	$expgui(profFrame).hs.lbox selection clear 0 end
1713	foreach h $expgui(curhist) {
1714	$expgui(profFrame).hs.lbox selection set $h
1715	}
1716
1717	# destroy the contents of the frame
1718	eval destroy [winfo children $expgui(ProfileBox).f]
1719
1720	if {$expgui(globalmode) == 0} {
1721	# must have at least one histogram selected here
1722	if {[llength $expgui(curhist)] == 0} return
1723	# disable traces on entryvar for right now
1724	set entrycmd(trace) 0
1725	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1726	# no defined histograms?
1727	if {$hist == ""} return
1728	# Create one frame for each Phase.
1729	set ind -1
1730	set htype [string range $expmap(htype_$hist) 2 2]
1731	foreach i $expmap(phaselist_$hist) {
1732	incr ind
1733	# Label Heading for each phase.
1734	set ptype [string trim [hapinfo $hist $i proftype]]
1735	if {$expgui(haveBW)} {
1736	grid [TitleFrame $expgui(ProfileBox).f.$i \
1737	-text "Hist $hist -- Phase $i (type $ptype)" \
1738	-relief groove -bd 2] \
1739	-column 0 -row $ind -sticky ew
1740	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1741	grid [frame $ProfileFrame.1] \
1742	-column 0 -row 0 -columnspan 10
1743	pack [label $ProfileFrame.1.l \
1744	-text Damping]\
1745	-side left
1746	} else {
1747	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1748	-column 0 -row $ind -sticky ew
1749	set ProfileFrame $expgui(ProfileBox).f.$i
1750	grid [frame $ProfileFrame.1] \
1751	-column 0 -row 0 -columnspan 10 -sticky ew
1752	pack [label $ProfileFrame.1.l \
1753	-text "Phase $i (type $ptype) Damping"]\
1754	-side left
1755	}
1756	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1757	0 1 2 3 4 5 6 7 8 9
1758	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1759	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1760	pack $ProfileFrame.1.tkOptDamp -side left
1761	pack [label $ProfileFrame.1.l1 \
1762	-text " Peak cutoff"]\
1763	-side left
1764	pack [entry $ProfileFrame.1.e1 \
1765	-width 10 -textvariable entryvar(pcut_$i)]\
1766	-side left
1767	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1768	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1769
1770	set col -1
1771	set row 1
1772	set nterms [hapinfo $hist $i profterms]
1773	set lbls {}
1774	catch {set lbls $expgui(prof-$htype-$ptype)}
1775	# for type 4, add extra terms depending on the cell type
1776	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1777	for { set num 1 } { $num <= $nterms } { incr num } {
1778	set term {}
1779	catch {set term [lindex $lbls $num]}
1780	if {$term == ""} {set term $num}
1781	incr col
1782	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1783	-row $row -column $col
1784	incr col
1785	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1786	-variable entryvar(pref${num}_$i)] -row $row -column $col
1787	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1788	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1789	incr col
1790	grid [entry $ProfileFrame.ent${num}_${i} \
1791	-textvariable entryvar(pterm${num}_$i)\
1792	-width 12] -row $row -column $col
1793	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1794	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1795	if {$col > 6} {set col -1; incr row}
1796	}
1797	}
1798	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1799	} else {
1800	# get histogram list
1801	set histlist {}
1802	foreach item $expgui(curhist) {
1803	lappend histlist [lindex $expmap(powderlist) $item]
1804	}
1805	# must have at least one histogram selected here
1806	if {[llength $histlist] == 0} return
1807	# disable traces on entryvar for right now
1808	set entrycmd(trace) 0
1809	# loop through histograms & phases, set up an array by phase & profile type
1810	catch {unset prtyparray histarray phasearray}
1811	foreach hist $histlist {
1812	foreach phase $expmap(phaselist_$hist) {
1813	set prtyp [string trim [hapinfo $hist $phase proftype]]
1814	set key ${prtyp}_$phase
1815	lappend prtyparray($key) $hist
1816	lappend histarray($key) $hist
1817	lappend phasearray($key) $phase
1818	}
1819	}
1820
1821	set ptype ""
1822	set i -1
1823	# loop over all combined phases and profile types, sorted 1st by profile number
1824	foreach key [lsort [array names prtyparray]] {
1825	# split key
1826	scan $key %d_%d prftyp p
1827
1828	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1829	set ptype $prftyp
1830	set curhistlist $histarray($key)
1831	set curphaslist $phasearray($key)
1832
1833	set hist1 [lindex $curhistlist 0]
1834	set phase1 [lindex $curphaslist 0]
1835	set nterms [hapinfo $hist1 $phase1 profterms]
1836	set htype [string range $expmap(htype_$hist1) 2 2]
1837	set lbls $expgui(prof-$htype-$ptype)
1838	# for type 4, add extra terms depending on the cell type
1839	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1840	# Create a frame for this type
1841	incr i
1842	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1843	if {$expgui(haveBW)} {
1844	grid [TitleFrame $expgui(ProfileBox).f.$i \
1845	-text "Histogram [CompressList $histarray($key)] (type $ptype)" \
1846	-relief groove -bd 2] \
1847	-column 0 -row $i -sticky ew
1848	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1849	grid [frame $ProfileFrame.0] \
1850	-column 0 -row 0 -columnspan 20 -sticky ew
1851	} else {
1852	grid [frame $expgui(ProfileBox).f.$i \
1853	-relief groove -bd 4] \
1854	-column 0 -row $i -sticky ew
1855	set ProfileFrame $expgui(ProfileBox).f.$i
1856	grid [frame $ProfileFrame.0] \
1857	-column 0 -row 0 -columnspan 20 -sticky ew
1858	grid [label $ProfileFrame.0.0 \
1859	-text "Profile Type $ptype "] -row 0 -column 0
1860	}
1861	grid [label $ProfileFrame.0.1 \
1862	-anchor w] -row 0 -column 1
1863	grid [frame $ProfileFrame.1] \
1864	-column 0 -row 1 -columnspan 20 -sticky ew
1865	grid [label $ProfileFrame.1.2 \
1866	-text "Damping"] -row 0 -column 2
1867	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1868	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1869	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1870	grid [button $ProfileFrame.1.edit \
1871	-text "Global Edit"] -row 0 -column 4 -sticky w
1872	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1873	set col -1
1874	set row 2
1875	for { set num 1 } { $num <= $nterms } { incr num } {
1876	set term {}
1877	catch {set term [lindex $lbls $num]}
1878	if {$term == ""} {set term $num}
1879	incr col
1880	grid [label $ProfileFrame.l${num}_${i} \
1881	-text "$term"] -row $row -column $col
1882	incr col
1883	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1884	-variable entryvar(pref${num}_$i)] \
1885	-row $row -column $col
1886	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1887	if {$col > 10} {set col -1; incr row}
1888	}
1889	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1890	} else {
1891	# add to the current entry
1892	eval lappend curhistlist $histarray($key)
1893	eval lappend curphaslist $phasearray($key)
1894	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1895	}
1896	$ProfileFrame.0.1 config -text $boxtitle
1897	$ProfileFrame.1.edit config -command "\
1898	EditProfile \"\n$boxtitle\" \
1899	[list $curhistlist] \
1900	[list $curphaslist]"
1901	set entrycmd(pdamp_$i) "hapinfo \
1902	[list $curhistlist] \
1903	[list $curphaslist] pdamp"
1904	for { set num 1 } { $num <= $nterms } { incr num } {
1905	set entrycmd(pref${num}_$i) "hapinfo \
1906	[list $curhistlist] \
1907	[list $curphaslist] pref$num"
1908	}
1909	}
1910	}
1911
1912	# resize the scroll window to match the actual
1913	update idletasks
1914	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1915	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1916	update idletasks
1917	ResizeNotebook
1918	# enable traces on entryvar now
1919	set entrycmd(trace) 1
1920	}
1921
1922	# profile labels for type 4 profile
1923	proc type4lbls {lbls nterms phase} {
1924	if {$nterms == 14} {
1925	# cubic
1926	lappend lbls S400 S220
1927	} elseif {$nterms == 15} {
1928	# hexagonal
1929	lappend lbls S400 S004 S202
1930	} elseif {$nterms == 16} {
1931	# tetragonal or rhombohedral
1932	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1933	# rhombohedral
1934	lappend lbls S400 S220 S310 S211
1935	} else {
1936	lappend lbls S400 S004 S220 S202
1937	}
1938	} elseif {$nterms == 18} {
1939	# orthorhombic
1940	lappend lbls S400 S040 S004 S220 S202 S022
1941	} elseif {$nterms == 21} {
1942	# monoclinic
1943	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1944	} elseif {$nterms == 25} {
1945	# triclinic
1946	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1947	S130 S301 S013 S211 S121 S112
1948	}
1949	return $lbls
1950	}
1951
1952	# process the bit settings in the print options
1953	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1954	proc printsetting {bitnum "action get" "value {}"} {
1955	global entryvar expgui
1956	if {$action == "get"} {
1957	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1958	} elseif $value {
1959	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1960	} else {
1961	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1962	}
1963	expinfo print set $newval
1964	set expgui(printopt) "Print Options ([expinfo print])"
1965	}
1966
1967	# need to respond to mouse presses -- control variable associated with extract Fobs
1968	# and set the LeBail extraction flags
1969	proc SetupExtractHist {} {
1970	global expgui entrycmd entryvar expmap
1971
1972	# display the selected histograms
1973	$expgui(lsFrame).hs.lbox selection clear 0 end
1974	foreach h $expgui(curhist) {
1975	$expgui(lsFrame).hs.lbox selection set $h
1976	}
1977
1978	# get histogram list
1979	set histlist {}
1980	foreach item $expgui(curhist) {
1981	set hist [lindex $expmap(powderlist) $item]
1982	if {$hist != ""} {lappend histlist $hist}
1983	}
1984	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1985	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1986	foreach phase {1 2 3 4 5 6 7 8 9} {
1987	$expgui(FobsExtractFrame).l$phase config -fg grey
1988	set expgui(Fextract$phase) {}
1989	foreach item $expgui(ExtractSettingsRadiobuttons) {
1990	${item}$phase config -state disabled -bd 1
1991	}
1992	}
1993	} elseif {[llength $histlist] == 1} {
1994	# disable traces on entryvar
1995	set entrycmd(trace) 0
1996	set entryvar(fobsextract) [histinfo $histlist foextract]
1997	foreach phase {1 2 3 4 5 6 7 8 9} {
1998	# is the phase present?
1999	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2000	$expgui(FobsExtractFrame).l$phase config -fg grey
2001	set expgui(Fextract$phase) {}
2002	foreach item $expgui(ExtractSettingsRadiobuttons) {
2003	${item}$phase config -state disabled -bd 1
2004	}
2005	} else {
2006	$expgui(FobsExtractFrame).l$phase config -fg black
2007	foreach item $expgui(ExtractSettingsRadiobuttons) {
2008	${item}$phase config -state normal -bd 2
2009	}
2010	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2011	}
2012	}
2013	} elseif {[llength $histlist] > 1} {
2014	# disable traces on entryvar
2015	set entrycmd(trace) 0
2016	# multiple histograms need phases in any histogram
2017	foreach phase {1 2 3 4 5 6 7 8 9} {
2018	set gotphase($phase) 0
2019	}
2020	foreach hist $histlist {
2021	foreach phase $expmap(phaselist_$hist) {
2022	set gotphase($phase) 1
2023	}
2024	}
2025	foreach phase {1 2 3 4 5 6 7 8 9} {
2026	set expgui(Fextract$phase) {}
2027	if $gotphase($phase) {
2028	$expgui(FobsExtractFrame).l$phase config -fg black
2029	foreach item $expgui(ExtractSettingsRadiobuttons) {
2030	${item}$phase config -state normal -bd 2
2031	}
2032	} else {
2033	$expgui(FobsExtractFrame).l$phase config -fg grey
2034	foreach item $expgui(ExtractSettingsRadiobuttons) {
2035	${item}$phase config -state disabled -bd 1
2036	}
2037	}
2038	}
2039	}
2040	# reenable traces
2041	set entrycmd(trace) 1
2042	}
2043	# respond to a change in the fobs extraction method for a phase
2044	# force the main extraction flag on, if fobs extraction is selected for any phase
2045	proc HistExtractSet {phase} {
2046	global expgui entryvar expmap
2047	foreach item $expgui(curhist) {
2048	lappend histlist [lindex $expmap(powderlist) $item]
2049	}
2050	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2051	incr expgui(changed)
2052	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2053	}
2054	#---------------------------- Global Edit Functions ------------------------
2055	proc editbackground {} {
2056	global expgui expmap entrycmd
2057	set histlist {}
2058	foreach n $expgui(curhist) {
2059	lappend histlist [lindex $expmap(powderlist) $n]
2060	}
2061	if {[llength $histlist] == 0} return
2062
2063	set w .back
2064	catch {destroy $w}
2065	toplevel $w -bg beige
2066	if {$expgui(globalmode) != 0} {
2067	wm title $w "Edit Background"
2068	} else {
2069	wm title $w "Global Edit Background"
2070	}
2071
2072	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2073	] -side top -expand yes -fill both
2074	if {[llength $histlist] > 1} {
2075	grid [label $w.0.a \
2076	-text "Setting background terms for histograms [CompressList $histlist]" \
2077	-bg beige] -row 0 -column 0 -columnspan 10
2078	} else {
2079	grid [label $w.0.a \
2080	-text "Setting background terms for histogram $histlist" \
2081	-bg beige] -row 0 -column 0 -columnspan 10
2082	}
2083	set hist [lindex $histlist 0]
2084	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2085
2086	# disable traces on expgui(backtype) & expgui(backterms) now
2087	set entrycmd(trace) 0
2088
2089	# number of terms
2090	set expgui(backtype) [histinfo $hist backtype]
2091	set expgui(orig_backtype) $expgui(backtype)
2092	set expgui(prev_backtype) $expgui(backtype)
2093	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2094	grid $w.0.type -row 1 -column 1
2095	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2096
2097	# function type
2098	set expgui(backterms) [histinfo $hist backterms]
2099	set expgui(orig_backterms) $expgui(backterms)
2100	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2101	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2102	grid $w.0.terms -row 1 -column 3
2103	# enable traces on expgui(backtype) & expgui(backterms) now
2104	set entrycmd(trace) 1
2105
2106	#set background terms
2107	for {set num 1 } { $num <= 36 } { incr num } {
2108	set var "bterm$num"
2109	set expgui($var) {}
2110	set expgui(orig_$var) {}
2111	}
2112	if {[llength $histlist] == 1} {
2113	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2114	set var "bterm$num"
2115	set expgui($var) [histinfo $histlist $var]
2116	set expgui(orig_$var) $expgui($var)
2117	}
2118	}
2119
2120	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2121	-expand yes -fill both
2122	ShowBackTerms $w.1
2123
2124	set expgui(temp) {}
2125	pack [frame $w.b] -side top
2126	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2127	pack [button $w.b.3 -text Quit \
2128	-command "QuitEditBackground $w"] -side left
2129	bind $w <Return> "destroy $w"
2130
2131	# force the window to stay on top
2132	putontop $w
2133
2134	focus $w.b.2
2135	tkwait window $w
2136	afterputontop
2137
2138	if {$expgui(temp) != ""} return
2139
2140	if {$expgui(orig_backtype) != $expgui(backtype)} {
2141	histinfo $histlist backtype set $expgui(backtype)
2142	incr expgui(changed)
2143	}
2144	if {$expgui(orig_backterms) != $expgui(backterms)} {
2145	histinfo $histlist backterms set $expgui(backterms)
2146	incr expgui(changed)
2147	}
2148	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2149	set var "bterm$num"
2150	if {$expgui(orig_$var) != $expgui($var)} {
2151	histinfo $histlist $var set $expgui($var)
2152	incr expgui(changed)
2153	}
2154	}
2155
2156	if {$expgui(globalmode) == 0} {
2157	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2158	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2159	}
2160	}
2161
2162	trace variable expgui(backterms) w ChangeBackTerms
2163	proc ChangeBackTerms {a b c} {
2164	global entrycmd expgui
2165	if !$entrycmd(trace) return
2166	ShowBackTerms .back.1
2167	}
2168
2169	trace variable expgui(backtype) w ChangeBackType
2170	# reset the terms to 1, 0, 0... when the number of terms increase
2171	proc ChangeBackType {a b c} {
2172	global entrycmd expgui
2173	if !$entrycmd(trace) return
2174	if {$expgui(prev_backtype) == $expgui(backtype)} return
2175	set expgui(prev_backtype) $expgui(backtype)
2176	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2177	set var "bterm$num"
2178	if {$num == 1} {
2179	set expgui($var) 1.0
2180	} else {
2181	set expgui($var) 0.0
2182	}
2183	}
2184	}
2185
2186	proc ShowBackTerms {w } {
2187	global expgui expmap
2188	# destroy the contents of the frame
2189	eval destroy [winfo children $w]
2190	set histlist {}
2191	foreach n $expgui(curhist) {
2192	lappend histlist [lindex $expmap(powderlist) $n]
2193	}
2194	set widgetsPerRow 4
2195	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2196	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2197	set var "bterm$num"
2198	grid [label $w.l$num -text $num -bg beige] \
2199	-row $rows -column $cols -sticky nes
2200	incr cols
2201	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2202	] -row $rows -column $cols -sticky news
2203	incr cols
2204	}
2205	}
2206	}
2207
2208	proc QuitEditBackground {w} {
2209	global expgui
2210	# lets find out if anything changed
2211	set changed 0
2212	if {$expgui(orig_backtype) != $expgui(backtype)} {
2213	set changed 1
2214	}
2215	if {$expgui(orig_backterms) != $expgui(backterms)} {
2216	set changed 1
2217	}
2218	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2219	set var "bterm$num"
2220	if {$expgui(orig_$var) != $expgui($var)} {
2221	set changed 1
2222	break
2223	}
2224	}
2225	if $changed {
2226	set decision [tk_dialog .changes "Abandon Changes" \
2227	"You have made changes to the background. Ok to abandon changes?" \
2228	warning 0 Abandon Keep]
2229	if !$decision {
2230	set expgui(temp) "Quit"
2231	destroy $w
2232	}
2233	} else {
2234	set expgui(temp) "Quit"
2235	destroy $w
2236	}
2237	}
2238
2239	# this probably needs work
2240	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2241	global expgui expmap
2242	set w .global
2243	catch {destroy $w}
2244	toplevel $w -bg beige
2245	wm title $w "Edit Global Parameter"
2246	set expgui(temp) {}
2247	if {[llength $histlist] == 0} {
2248	set hist {}
2249	foreach n $expgui(curhist) {
2250	lappend hist [lindex $expmap(powderlist) $n]
2251	}
2252	} else {
2253	set hist $histlist
2254	}
2255	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2256	-side top -expand yes -fill both
2257	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2258	-bg beige] \
2259	-row 0 -column 0 -columnspan 10
2260	grid [entry $w.0.b -textvariable expgui(temp)] \
2261	-row 1 -column 0
2262
2263
2264	pack [frame $w.b] -side top
2265	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2266	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2267	bind $w <Return> "destroy $w"
2268
2269	# force the window to stay on top
2270	putontop $w
2271	focus $w.b.2
2272	tkwait window $w
2273	afterputontop
2274
2275	if {$expgui(temp) != ""} {
2276	foreach h $hist {
2277	if {$cmd == "histinfo"} {
2278	histinfo $h $variable set $expgui(temp)
2279	incr expgui(changed)
2280	if $expgui(debug) {
2281	puts "histinfo $h $variable set $expgui(temp)"
2282	}
2283	} elseif {$cmd == "hapinfo"} {
2284	hapinfo $h $phase $variable set $expgui(temp)
2285	incr expgui(changed)
2286	if $expgui(debug) {
2287	puts "hapinfo $phase $h $variable set $expgui(temp)"
2288	}
2289	} else {
2290	error "$cmd unimplemented"
2291	}
2292	}
2293	}
2294	}
2295
2296	proc EditProfile {title histlist phaselist} {
2297	global expgui expmap entrycmd
2298	set w .back
2299	catch {destroy $w}
2300	toplevel $w -bg beige
2301	wm title $w "Global Edit Profile"
2302	set hist [lindex $histlist 0]
2303	set phase [lindex $phaselist 0]
2304	set ptype [string trim [hapinfo $hist $phase proftype]]
2305	set htype [string range $expmap(htype_$hist) 2 2]
2306	set nterms [hapinfo $hist $phase profterms]
2307
2308	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2309	] -side top -expand yes -fill both
2310	grid [label $w.0.a \
2311	-text "Setting profile terms: $title" \
2312	-bg beige] -row 0 -column 0 -columnspan 10
2313	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2314
2315	# number of terms
2316	# set expgui(backtype) [histinfo $hist backtype]
2317	# set expgui(orig_backtype) $expgui(backtype)
2318	# set expgui(prev_backtype) $expgui(backtype)
2319	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2320	# grid $w.0.type -row 1 -column 1
2321
2322	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2323	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2324	set entrylist {}
2325	lappend entrylist "pcut $w.0.d"
2326
2327	set col -1
2328	set row 1
2329	set lbls $expgui(prof-$htype-$ptype)
2330	# for type 4, add extra terms depending on the cell type
2331	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2332	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2333	] -side top -expand yes -fill both
2334	for { set num 1 } { $num <= $nterms } { incr num } {
2335	set term {}
2336	catch {set term [lindex $lbls $num]}
2337	if {$term == ""} {set term $num}
2338	incr col
2339	grid [label $w.1.l${num} -text "$term" -bg beige] \
2340	-row $row -column $col
2341	incr col
2342	grid [entry $w.1.ent${num} \
2343	-width 14] -row $row -column $col
2344	lappend entrylist "pterm$num $w.1.ent${num}"
2345	if {$col > 6} {set col -1; incr row}
2346	}
2347	pack [frame $w.b] -side top
2348	pack [button $w.b.2 -text Set \
2349	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2350	[list $histlist] $w"] -side left
2351	pack [button $w.b.3 -text Quit \
2352	-command "QuitEditProfile $w [list $entrylist]"] -side left
2353	bind $w <Return> "destroy $w"
2354
2355	# force the window to stay on top
2356	putontop $w
2357	focus $w.b.2
2358	tkwait window $w
2359	afterputontop
2360	}
2361
2362	proc SetEditProfile {entrylist phaselist histlist w} {
2363	global expgui
2364	foreach item $entrylist {
2365	set value [ [lindex $item 1] get ]
2366	if {$value != ""} {
2367	hapinfo $histlist $phaselist [lindex $item 0] set $value
2368	incr expgui(changed)
2369	if $expgui(debug) {
2370	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2371	}
2372	}
2373	}
2374	destroy $w
2375	}
2376
2377	proc QuitEditProfile {w entrylist} {
2378	global expgui
2379	# lets find out if anything changed
2380	set changed 0
2381	foreach item $entrylist {
2382	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2383	}
2384	if $changed {
2385	set decision [tk_dialog .changes "Abandon Changes" \
2386	"You have made changes to the Profile. Ok to abandon changes?" \
2387	warning 0 Abandon Keep]
2388	if !$decision {destroy $w}
2389	} else {
2390	destroy $w
2391	}
2392	}
2393
2394	##############################################################################
2395	## #############################################
2396	## END OF THE PROCEDURES SECTION #############################################
2397	## #############################################
2398	##############################################################################
2399
2400	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2401	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2402	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2403	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2404	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2405	# A frame for menu items at top of display
2406	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2407	# Pack the menu frame.
2408	pack $expgui(fm) -fill x -side top -anchor n
2409
2410	# create a button bar
2411	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2412
2413	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2414	# & LS controls
2415	if $expgui(haveBW) {
2416	pack [NoteBook .n -bd 2] -expand yes -fill both
2417	set expgui(lsFrame) [\
2418	.n insert end lsFrame -text "LS Controls" \
2419	-raisecmd "set expgui(pagenow) lsFrame; SetupExtractHist"]
2420	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2421	set expgui(phaseFrame) [\
2422	.n insert end phasePane -text "Phase" \
2423	-raisecmd "set expgui(pagenow) phaseFrame; \
2424	DisplayAllAtoms noreset"]
2425	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2426	set expgui(histFrame) [\
2427	.n insert end histPane -text "Histogram" \
2428	-raisecmd "set expgui(pagenow) histFrame; DisplayHistogram" \
2429	-createcmd MakeHistPane]
2430	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2431	lappend expgui(GlobalModeAllDisable) "histFrame {.n itemconfigure histPane}"
2432	set expgui(fracFrame) [\
2433	.n insert end fracPane -text "Scaling" \
2434	-raisecmd "set expgui(pagenow) fracFrame; DisplayFrac" \
2435	-createcmd MakeScalingPane]
2436	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2437	set expgui(profFrame) [\
2438	.n insert end profPane -text Profile \
2439	-raisecmd "set expgui(pagenow) profFrame; DisplayProfile"\
2440	-createcmd MakeProfilePane]
2441	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2442	lappend expgui(GlobalModeAllDisable) "profFrame {.n itemconfigure profPane}"
2443	set expgui(consFrame) [\
2444	.n insert end consPane -text Constraints \
2445	-raisecmd "set expgui(pagenow) consFrame; DisplayConstraintsPane"\
2446	-createcmd MakeConstraintsPane]
2447	lappend expgui(frameactionlist) "consFrame DisplayConstraintsPane"
2448	} else {
2449	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2450	pack .n -anchor w -fill both -expand yes
2451	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2452	page {"LS Controls" Phase Histogram Scaling Profile } {
2453	set expgui($item) [Notebook:frame .n $item]
2454	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2455	}
2456	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2457	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2458	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2459	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2460	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2461	set expgui(GlobalModeAllDisable) {}
2462	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2463	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2464	}
2465
2466	# this is used to bring up the selected frame
2467	proc RaisePage {nextpage} {
2468	global expgui
2469	if $expgui(haveBW) {
2470	.n see $nextpage
2471	.n raise $nextpage
2472	set expgui(pagenow) $nextpage
2473	} else {
2474	Notebook:raise .n $nextpage
2475	InitPage $nextpage
2476	}
2477	}
2478	# this is only called when BWidget is not in use
2479	proc InitPage {nextpage} {
2480	global expgui
2481	set expgui(pagenow) $nextpage
2482	foreach set $expgui(frameactionlist) {
2483	# don't worry about errors
2484	catch {
2485	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2486	}
2487	}
2488	}
2489	# resize the notebook to fit all the tabs and the largest page
2490	proc ResizeNotebook {} {
2491	global expgui
2492	if {$expgui(haveBW)} {
2493	.n compute_size
2494	} else {
2495	Notebook:resize .n
2496	}
2497	}
2498
2499	#----------------------------------------------------------------------------
2500	proc MakePhasePane {} {
2501	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2502	global expgui
2503	frame $expgui(phaseFrame).top
2504	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2505	# This is a big frame in the Phase notebook pane to hold atomic data.
2506	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2507	-relief raised -borderwidth 4 -bg beige]
2508	# This is a frame just below the big frame: for edits
2509	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2510	-relief raised -borderwidth 4 -bg beige]
2511
2512	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2513	grid $frameLatt -sticky news -row 2 -column 0
2514	grid $fbig -sticky news -row 3 -column 0
2515	# give extra space to the atoms box
2516	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2517	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2518	grid $frame3 -sticky news -row 4 -column 0
2519	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2520	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2521	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2522	# this is where the buttons will go
2523	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2524
2525	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2526	-fg blue ] -column 1 -row 0 -sticky e
2527	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2528	-fg blue -width 45] -column 2 -row 0 -sticky e
2529	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2530	# ------------- Lattice Parameter Box ------------------
2531	set row 0
2532	foreach col {2 4 6} var {a b c} lbl {a b c} {
2533	grid [label $frameLatt.l$var -text $lbl] \
2534	-column $col -row $row -padx 5 -sticky e
2535	incr col
2536	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2537	-column $col -row $row -padx 5
2538	}
2539	incr row
2540	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2541	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2542	-column $col -row $row -padx 5 -sticky e
2543	incr col
2544	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2545	-column $col -row $row -padx 5
2546	}
2547
2548	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2549	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2550	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2551	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2552	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2553	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2554	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2555	-column 1 -row 0 -rowspan 2
2556	if [file executable $expgui(exptool)] {
2557	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2558	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2559	}
2560	grid columnconfig $frameLatt 1 -weight 1
2561	grid columnconfig $frameLatt 0 -weight 1
2562	#-------------- Begin Atom Coordinates Box ------------------------------
2563	grid [listbox $fbig.title -height 1 -relief flat] \
2564	-row 0 -column 0 -sticky ew
2565	set expgui(atomtitle) $fbig.title
2566	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2567	grid [listbox $fbig.lbox -height 10 \
2568	-xscrollcommand " $fbig.bscr set"\
2569	-yscrollcommand " $fbig.rscr set"\
2570	] -row 1 -column 0 -sticky news
2571	set expgui(atomlistbox) $fbig.lbox
2572	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2573	grid [scrollbar $fbig.bscr -orient horizontal \
2574	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2575	] -row 2 -column 0 -sticky ew
2576	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2577	] -row 1 -column 1 -sticky ns
2578	# give extra space to the atoms box
2579	grid columnconfigure $fbig 0 -weight 1
2580	grid rowconfigure $fbig 1 -weight 1
2581
2582	# BIND mouse in editbox
2583	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2584	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2585
2586	#-------------- End Atoms Section ---------------------------------
2587
2588	# --------------------------- Begin Edit Box ------------------------
2589	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2590	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2591	if [file executable $expgui(exptool)] {
2592	button $frame3.newa -text "Add New Atom" \
2593	-command {MakeAddAtomsBox $expgui(curPhase)}
2594	grid $frame3.newa -column 11 -row 0
2595	}
2596
2597	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2598	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2599
2600	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2601	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2602	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2603	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2604	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2605	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2606
2607	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2608	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2609
2610	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2611	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2612	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2613	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2614	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2615	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2616	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2617	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2618	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2619
2620	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2621	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2622
2623	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2624	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2625
2626	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2627	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2628	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2629	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2630	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2631	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2632	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2633	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2634	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2635	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2636
2637	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2638	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2639	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2640	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2641	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2642	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2643	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2644	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2645
2646	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2647	grid $f3f31 -column 0 -row 7 -columnspan 12
2648	set expgui(anisolabels) {}
2649	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2650	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2651	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2652	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2653	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2654	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2655
2656	set expgui(anisoentry) {}
2657	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2658	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2659	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2660	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2661	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2662	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2663
2664	set col 0
2665	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2666	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2667	incr col
2668	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2669	incr col
2670	}
2671	# --------------------------- End Edit Box -------------------------
2672
2673	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2674	# resize in case the pane needs more space
2675	ResizeNotebook
2676	}
2677
2678	proc move2boxes {boxlist args} {
2679	foreach listbox $boxlist {
2680	eval $listbox xview $args
2681	}
2682	}
2683	# make the phase pane
2684	MakePhasePane
2685	#-----------------------------------------------------------------------------
2686	proc MakeHistPane {} {
2687	#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
2688	global expgui
2689	grid [frame $expgui(histFrame).hs] \
2690	-column 0 -row 0 -rowspan 10 -sticky nsew
2691	grid columnconfigure $expgui(histFrame) 0 -weight 1
2692	grid rowconfigure $expgui(histFrame) 1 -weight 1
2693	grid rowconfigure $expgui(histFrame) 2 -weight 1
2694	grid rowconfigure $expgui(histFrame) 3 -weight 1
2695	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2696	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2697	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2698	-font $expgui(histfont) \
2699	-xscrollcommand "$expgui(histFrame).hs.x set" \
2700	-yscrollcommand "$expgui(histFrame).hs.y set" \
2701	] -row 1 -column 0 -sticky news
2702	lappend expgui(HistSelectList) $expgui(histFrame).hs
2703	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2704	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2705	] -row 2 -column 0 -sticky ew
2706	grid [scrollbar $expgui(histFrame).hs.y \
2707	-command "$expgui(histFrame).hs.lbox yview"] \
2708	-row 1 -column 1 -sticky ns
2709	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2710	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2711	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2712	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2713	DisplayHistogram
2714	}
2715	bind $expgui(histFrame).hs.lbox <Button-3> {
2716	if $expgui(globalmode) {
2717	$expgui(histFrame).hs.lbox selection set 0 end
2718	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2719	DisplayHistogram
2720	}
2721	}
2722
2723	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2724	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2725	if $expgui(haveBW) {
2726	foreach item {backBox diffBox} num {2 3} \
2727	title {Background "Diffractometer Constants"} {
2728	TitleFrame $expgui(histFrame).$item \
2729	-borderwidth 4 -side left -relief groove -text $title
2730	set expgui($item) [$expgui(histFrame).$item getframe]
2731	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2732	grid rowconfigure $expgui(histFrame) $num -minsize 100
2733	}
2734	} else {
2735	foreach item {backBox diffBox} num {1 2} \
2736	title {Background "Diffractometer Constants"} {
2737	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2738	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2739	set expgui($item) $expgui(histFrame).$item
2740	grid [label $expgui(histFrame).$item.title -text $title] \
2741	-row 0 -column 0 -columnspan 10 -sticky nw
2742	}
2743	}
2744	if [file executable $expgui(exptool)] {
2745	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2746	grid $expgui(histFrame).newh -column 1 -row 6
2747	}
2748
2749	# BACKGROUND information.
2750	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2751	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2752	grid [label $expgui(backBox).frm1.lBGType \
2753	-textvariable expgui(backtypelbl)] \
2754	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2755	grid [label $expgui(backBox).frm1.lBGTerms \
2756	-textvariable expgui(backtermlbl)] \
2757	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2758	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2759	-command editbackground] \
2760	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2761	grid [frame $expgui(backBox).frm2 ] \
2762	-row 1 -column 0 -columnspan 11 -sticky e
2763	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2764	-row 2 -column 1 -sticky news -padx 4 -pady 3
2765	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2766	-variable entryvar(bref) ] \
2767	-row 2 -column 2 -sticky news -padx 4 -pady 3
2768	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2769	-row 2 -column 3 -sticky w -padx 2 -pady 3
2770	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2771	grid $expgui(backBox).frm2.om \
2772	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2773	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2774	# insert the histograms & resize in case the pane needs more space
2775	sethistlist
2776	ResizeNotebook
2777	}
2778	###############################################################################
2779	proc MakeScalingPane {} {
2780	#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
2781	global expgui
2782	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2783	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2784	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2785	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2786	-font $expgui(histfont) \
2787	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2788	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2789	] -row 1 -column 0 -sticky news
2790	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2791	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2792	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2793	] -row 2 -column 0 -sticky ew
2794	grid [scrollbar $expgui(fracFrame).hs.y \
2795	-command "$expgui(fracFrame).hs.lbox yview"] \
2796	-row 1 -column 1 -sticky ns
2797	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2798	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2799	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2800	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2801	DisplayFrac
2802	}
2803	bind $expgui(fracFrame).hs.lbox <Button-3> {
2804	if $expgui(globalmode) {
2805	$expgui(fracFrame).hs.lbox selection set 0 end
2806	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2807	DisplayFrac
2808	}
2809	}
2810	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2811	# Create a large canvas area containing a frame for each phase in the data set.
2812	# The canvas and vertical scrollbar are inside a frame called f1
2813	if $expgui(haveBW) {
2814	TitleFrame $expgui(fracFrame).f1.scaleBox \
2815	-borderwidth 4 -text "Scale Factor"
2816	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2817	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2818	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2819	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2820	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2821	} else {
2822	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2823	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2824	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2825	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2826	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2827	}
2828	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2829	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2830	button $expgui(scaleBox).but1 -text "Set Globally" \
2831	-command "editglobalparm histinfo scale {Scale Factor}"
2832
2833	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2834	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2835	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2836	-row 1 -column 3 -sticky news -padx 4 -pady 3
2837	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2838	-row 1 -column 4 -sticky w -padx 2 -pady 3
2839	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2840	grid $expgui(scaleBox).om \
2841	-row 1 -column 5 -sticky news -padx 4 -pady 3
2842	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2843
2844	if $expgui(haveBW) {
2845	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2846	-text "Phase Fractions" -relief groove] \
2847	-sticky news -row 1 -column 0 -columnspan 2
2848	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2849	} else {
2850	set PhaseFractBox $expgui(fracFrame).f1
2851	}
2852	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2853	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2854
2855	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2856	-scrollregion {0 0 5000 500} \
2857	-yscrollcommand "$PhaseFractBox.yscroll set" \
2858	-width 500 -height 350 -bg lightgrey]] \
2859	-sticky news -row 1 -column 0
2860	grid [scrollbar $PhaseFractBox.yscroll \
2861	-command "$expgui(FracBox) yview" \
2862	-orient vertical] \
2863	-sticky ns -row 1 -column 1
2864	frame $expgui(FracBox).f -bd 0
2865	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2866
2867	# the rest of the page is created in DisplayFrac
2868
2869	# insert the histograms & resize in case the pane needs more space
2870	sethistlist
2871	ResizeNotebook
2872	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2873	}
2874	###############################################################################
2875	proc MakeProfilePane {} {
2876	global expgui
2877	# 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
2878	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2879	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2880	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2881	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2882	-font $expgui(histfont) \
2883	-xscrollcommand "$expgui(profFrame).hs.x set" \
2884	-yscrollcommand "$expgui(profFrame).hs.y set" \
2885	] -row 1 -column 0 -sticky news
2886	lappend expgui(HistSelectList) $expgui(profFrame).hs
2887	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2888	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2889	] -row 2 -column 0 -sticky ew
2890	grid [scrollbar $expgui(profFrame).hs.y \
2891	-command "$expgui(profFrame).hs.lbox yview"] \
2892	-row 1 -column 1 -sticky ns
2893	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2894	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2895	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2896	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2897	DisplayProfile
2898	}
2899	bind $expgui(profFrame).hs.lbox <Button-3> {
2900	if $expgui(globalmode) {
2901	$expgui(profFrame).hs.lbox selection set 0 end
2902	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2903	DisplayProfile
2904	}
2905	}
2906
2907	# Create a large canvas area containing a frame for each phase in the data set.
2908	# The canvas and vertical scrollbar are inside a frame called f1
2909	pack [frame $expgui(profFrame).f1] -fill both -expand true
2910	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2911	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2912	-sticky news -row 0 -column 0
2913	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2914	-sticky ns -row 0 -column 1
2915
2916	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2917	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2918
2919	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2920	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2921	frame $expgui(ProfileBox).f -bd 0
2922	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2923
2924	# insert the histograms & resize in case the pane needs more space
2925	sethistlist
2926	ResizeNotebook
2927	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2928	}
2929
2930	##############################################################################
2931	# 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
2932	array set printopts {
2933	0 "Print the reciprocal metric tensor changes"
2934	1 "Print the correlation matrix"
2935	2 "Print the Least-Squares matrices and vectors"
2936	4 "Print the linear constraint matrices"
2937	5 "Print the applied shifts and shift factors"
2938	6 "Print the reciprocal metric tensor Var-Covar terms"
2939	7 "Print all parameters for each cycle"
2940	8 "Print summary shift/esd data after last cycle"
2941	9 "Print zero/unit pole figure constraint terms"
2942	}
2943	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2944	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2945	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2946	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2947	-font $expgui(histfont) \
2948	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2949	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2950	] -row 1 -column 0 -sticky news
2951	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2952	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2953	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2954	] -row 2 -column 0 -sticky ew
2955	grid [scrollbar $expgui(lsFrame).hs.y \
2956	-command "$expgui(lsFrame).hs.lbox yview"] \
2957	-row 1 -column 1 -sticky ns
2958	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2959	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2960	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2961	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2962	SetupExtractHist
2963	}
2964	bind $expgui(lsFrame).hs.lbox <Button-3> {
2965	if $expgui(globalmode) {
2966	$expgui(lsFrame).hs.lbox selection set 0 end
2967	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2968	SetupExtractHist
2969	}
2970	}
2971
2972	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2973	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2974	set row 0
2975	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2976	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
2977	-textvariable expgui(last_History)] \
2978	-row $row -column 1 -columnspan 5 -sticky w
2979	incr row
2980	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2981	grid [entry $expgui(lsFrame).f1.tit2 \
2982	-textvariable entryvar(title) -width 48] \
2983	-row $row -column 1 -columnspan 5 -sticky w
2984	set entrycmd(title) "expinfo title"
2985
2986	incr row
2987	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2988	-row $row -column 0 -columnspan 2 -pady 3
2989	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2990	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2991	-textvariable entryvar(cycles)] -row 0 -column 1
2992	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2993	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2994	] -row $row -column 2
2995	menu $expgui(lsFrame).f1.lprint.menu
2996	foreach num [lsort [array names printopts]] {
2997	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2998	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2999	-variable entryvar(printopt$num)
3000	}
3001	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3002	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3003	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3004	incr row
3005	if {$expgui(haveBW)} {
3006	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3007	-text "Reflection Intensity Extraction" \
3008	] -row $row -column 0 -columnspan 6
3009	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3010	} else {
3011	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3012	] -row $row -column 0 -columnspan 6
3013	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3014	}
3015	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3016	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3017	-row 0 -column 8 -columnspan 3 -sticky e
3018	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3019	-row 0 -column 2
3020	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3021	-variable entryvar(fobsextract)] -row 0 -column 3
3022	foreach num {1 2 3 4 5 6 7 8 9} {
3023	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3024	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3025	-command "HistExtractSet $num" \
3026	-variable expgui(Fextract$num) -value 0] \
3027	-row 2 -column $num
3028	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3029	-command "HistExtractSet $num" \
3030	-variable expgui(Fextract$num) -value 1] \
3031	-row 3 -column $num
3032	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3033	-command "HistExtractSet $num" \
3034	-variable expgui(Fextract$num) -value 2] \
3035	-row 4 -column $num
3036	}
3037	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3038	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3039	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3040
3041	grid [label $expgui(FobsExtractFrame).t \
3042	-text "Extraction\nMethod" -anchor c] \
3043	-column 0 -row 0 -rowspan 2 -sticky s
3044	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3045	-column 1 -row 0 -columnspan 7 -sticky sw
3046	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3047	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3048	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3049	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3050	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3051	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3052	#-------------------------------------------------------------------------
3053	#-------------------------------------------------------------------------
3054	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3055
3056	#---- file menu button
3057	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3058	menu $expgui(fm).file.menu
3059	if $expgui(debug) {
3060	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3061	}
3062	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3063	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3064	-command savearchiveexp
3065	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3066	$expgui(fm).file.menu add command -label "Save As" \
3067	-command "SaveAsFile"
3068	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3069	-command {rereadexp $expgui(expfile)}
3070
3071	#---- help menu button
3072	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3073	menu $expgui(fm).help.menu
3074	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3075	-label "Help on Command"
3076	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3077	$expgui(fm).help.menu add command -label "About..." -command About
3078
3079	#---- options menu button
3080	menubutton $expgui(fm).option -text Options \
3081	-menu $expgui(fm).option.menu
3082	menu $expgui(fm).option.menu
3083
3084	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3085	-variable expgui(archive)
3086	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3087	-variable expgui(disaglSeparateBox)
3088
3089	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3090	-label "Sort atoms by"
3091
3092	set expgui(asorttype) number
3093	menu $expgui(fm).option.menu.asort
3094	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3095	-label number -value number -variable expgui(asorttype)
3096	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3097	-label type -value type -variable expgui(asorttype)
3098	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3099	-label x -value x -variable expgui(asorttype)
3100	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3101	-label y -value y -variable expgui(asorttype)
3102	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3103	-label z -value z -variable expgui(asorttype)
3104
3105
3106	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3107	-label "Sort histograms by"
3108
3109	set expgui(hsorttype) number
3110	menu $expgui(fm).option.menu.hsort
3111	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3112	-label number -value number -variable expgui(hsorttype)
3113	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3114	-label "Histogram type" -value type -variable expgui(hsorttype)
3115	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3116	-label "Bank #" -value bank -variable expgui(hsorttype)
3117	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3118	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3119
3120	#---- Global mode menu button
3121	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3122	-label "Multiple hist. selection"
3123	menu $expgui(fm).option.menu.editmode
3124	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3125	-variable expgui(globalmode) -value 0 \
3126	-command sethistlist
3127	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3128	-variable expgui(globalmode) -value 6 \
3129	-command sethistlist
3130	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3131	-variable expgui(globalmode) -value 1 \
3132	-command sethistlist
3133	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3134	-variable expgui(globalmode) -value 2 \
3135	-command sethistlist
3136	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3137	-variable expgui(globalmode) -value 3 \
3138	-command sethistlist
3139	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3140	-variable expgui(globalmode) -value 4 \
3141	-command sethistlist
3142	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3143	-variable expgui(globalmode) -value 5 \
3144	-command sethistlist
3145	$expgui(fm).option.menu.editmode add separator
3146	$expgui(fm).option.menu.editmode add checkbutton \
3147	-label "Group phases together" \
3148	-variable expgui(globalphasemode) \
3149	-command sethistlist
3150
3151	set expgui(globalmode) 0
3152	set expgui(globalphasemode) 1
3153
3154	if {$tcl_platform(platform) != "windows"} {
3155	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3156	-variable env(GSASBACKSPACE)
3157	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3158	-variable expgui(autoexpload)
3159	}
3160
3161	$expgui(fm).option.menu add command -label "Save Options" \
3162	-command "SaveOptions"
3163
3164	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3165
3166	foreach menu $expgui(menunames) {
3167	set m [string tolower $menu]
3168	pack [menubutton $expgui(fm).$m -text $menu \
3169	-menu $expgui(fm).$m.menu] -side left
3170	menu $expgui(fm).$m.menu
3171	}
3172	pack $expgui(fm).help -side right -in $expgui(fm)
3173
3174	# add the commands in expgui_menulist
3175	foreach menu [array names expgui_menulist ] {
3176	foreach cmd $expgui_menulist($menu) {
3177	set action {}
3178	set opt {}
3179	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3180	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3181	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3182	if {$action != "" && $action != "-"} {
3183	eval $expgui(fm).$menu.menu add command \
3184	-label $cmd $opt -command [list [subst $action]]
3185	if {[lindex $opt 0] == "-underline"} {
3186	catch {
3187	set num [lindex $opt 1]
3188	set key [string range $cmd $num $num]
3189	bind . <Alt-[string tolower $key]> [subst $action]
3190	bind . <Alt-[string toupper $key]> [subst $action]
3191	}
3192	}
3193	}
3194	}
3195	}
3196	# setup command help
3197	foreach cmd [array names expgui_cmdlist] {
3198	set help {}
3199	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3200	if {$help == ""} {
3201	if {$expgui(debug)} {puts "no help for $cmd"}
3202	} else {
3203	# remove
3204	regsub -all \x09 $help " " help
3205	# preserve blank lines
3206	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3207	regsub -all \x0A $help " " help
3208	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3209	regsub -all " +" $help " " help
3210	set expgui_helplist($cmd) [string trim $help]
3211	}
3212	}
3213	# set up button bar
3214	foreach cmd $expgui(buttonlist) {
3215	set action {}
3216	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3217	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3218	if {$action != ""} {
3219	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3220	-text $cmd -command [list [subst $action]]] -side left
3221	}
3222	}
3223
3224	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3225	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3226	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3227
3228
3229	# handle indirect exits
3230	wm protocol . WM_DELETE_WINDOW catchQuit
3231	bind . <Control-c> catchQuit
3232
3233	set expgui(curPhase) ""
3234	set expgui(pagenow) ""
3235	set expgui(curhist) {}
3236	set expgui(selectedatomlist) {}
3237
3238	loadexp $expgui(expfile)
3239
3240	# select the 1st phase
3241	SelectOnePhase [lindex $expmap(phaselist) 0]
3242	# select the first histogram in the list by default (if there are any)
3243	if {[llength $expmap(histlistboxcontents)] > 0} {
3244	set expgui(curhist) 0
3245	} else {
3246	set expgui(curhist) {}
3247	}
3248
3249	# execute any local commands for final initialization
3250	eval $expgui(initstring)
3251
3252	# resize the notebook to fit all the tabs and the largest page
3253	ResizeNotebook
3254
3255	RaisePage lsFrame
3256	if {[CountHistory] > 100} {
3257	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3258	}

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