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source: trunk/expgui @ 133

Last change on this file since 133 was 133, checked in by toby, 13 years ago
# on 2000/05/17 16:17:21, toby did: cleanup reading lowercase .exp files remove Tix!!! replace with BWidget use options (opt.tcl) to get Tix-like appearance treat "fixed" .EXP files as changed (to force a write before use) Add support for 2 "leBail" options in the '00 version of GSAS Change display of update message when .EXP is changed (with attention to Windows screen placement) Ignore macromolecular phases; recognize & flag magnetic phases Use BWidget frame labels where possible Move pane drawing from global code to MakePhasePane?, MakeHistPane?, MakeScalingPane? {} { Move pane drawing from global code to MakePhasePane?, MakeHistPane?, MakeScalingPane?, MakeProfilePane?
Property rcs:author set to `toby` Property rcs:date set to `2000/05/17 16:17:21` Property rcs:lines set to `+730 -518` Property rcs:rev set to `1.23` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 115.6 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 133 2009-12-04 23:00:57Z toby $
3	set expgui(Revision) {$Revision: 133 $ $Date: 2009-12-04 23:00:57 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28
29	if {$tcl_version < 8.0} {
30	tk_dialog .expFileErrorMsg "Version Error" \
31	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
32	exit
33	}
34
35	if {$argv != ""} {
36	set expgui(expfile) $argv
37	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
38	append expgui(expfile) ".EXP"
39	}
40	} else {
41	set expgui(expfile) {}
42	}
43
44	set expgui(debug) 0
45	catch {if $env(DEBUG) {set expgui(debug) 1}}
46	#set expgui(debug) 1
47
48	# default for archive mode = on
49	set expgui(archive) 1
50	# default for autoexec load = off
51	set expgui(autoexpload) 0
52	# save the name of the wish executable
53	set wishshell [info nameofexecutable]
54	# misc constants
55	set expgui(coordfont) "--courier-bold-r-normal--12-"
56	set expgui(histfont) "--courier-bold-r-normal--12-"
57	set liveplot(hst) 1
58	set liveplot(legend) 1
59	set expgui(filesort) 1
60	set expgui(initstring) {}
61	#=============================================================================
62	# Store names of profile terms.
63	array set expgui {
64	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
65	sig-2 rsca s1ec s2ec }
66	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
67	gam-2 switch ptec stec difc difa zero }
68	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
69	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
70	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
71	rstr rsta rsca eta}
72	prof-C-1 {CW-type U V W asym F1 F2 }
73	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
74	L11 L22 L33 L12 L13 L23 }
75	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
76	L11 L22 L33 L12 L13 L23 }
77	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
78	}
79	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
80	#----------------------------------------------------------------
81	# where are we?
82	set expgui(script) [info script]
83	# translate links -- go six levels deep
84	foreach i {1 2 3 4 5 6} {
85	if {[file type $expgui(script)] == "link"} {
86	set link [file readlink $expgui(script)]
87	if { [file pathtype $link] == "absolute" } {
88	set expgui(script) $link
89	} {
90	set expgui(script) [file dirname $expgui(script)]/$link
91	}
92	} else {
93	break
94	}
95	}
96	# fixup relative paths
97	if {[file pathtype $expgui(script)] == "relative"} {
98	set expgui(script) [file join [pwd] $expgui(script)]
99	}
100	set expgui(scriptdir) [file dirname $expgui(script) ]
101	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
102	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
103	#----------------------------------------------------------------
104	lappend auto_path $expgui(scriptdir)
105	set expgui(havetix) 0
106	set expgui(haveBW) 1
107	# for debugging non-BWidget version set environment variable NOBWIDGET
108	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
109	if $expgui(haveBW) {
110	if [catch {package require BWidget}] {set expgui(haveBW) 0}
111	}
112	# get the notebook widget if not using BWidgets
113	if {!$expgui(haveBW)} {source $expgui(scriptdir)/notebook.tcl}
114	#----------------------------------------------------------------
115	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
116	source [file join $expgui(scriptdir) opts.tcl]
117	}
118	# fetch EXP file processing routines
119	source [file join $expgui(scriptdir) readexp.tcl]
120	# commands for running GSAS programs
121	source [file join $expgui(scriptdir) gsascmds.tcl]
122	# contents of GSAS menus
123	source [file join $expgui(scriptdir) gsasmenu.tcl]
124	# commands for adding phases, histograms & atoms
125	source [file join $expgui(scriptdir) addcmds.tcl]
126	#---------------------------------------------------------------------------
127	# override options with locally defined values
128	if [file exists [file join $expgui(scriptdir) localconfig]] {
129	source [file join $expgui(scriptdir) localconfig]
130	}
131	if [file exists [file join ~ .gsas_config]] {
132	source [file join ~ .gsas_config]
133	}
134	if {$tcl_platform(platform) == "windows"} {
135	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
136	} else {
137	set expgui(exptool) [file join $expgui(gsasexe) exptool]
138	}
139	#---------------------------------------------------------------------------
140	if {$expgui(expfile) != ""} {
141	if ![file exists $expgui(expfile)] {
142	update
143	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
144	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
145	error 0 "Create" "Open other"]
146	if $ans {set expgui(expfile) {}}
147	}
148	}
149	if {$expgui(expfile) == ""} {
150	# center the parent window because the getExpFileName window
151	# will be centered above it.
152	wm withdraw .
153	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
154	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
155	wm geom . +$x+$y
156	wm deiconify .
157	# windows needed this update before when using tk_getOpenFile.
158	# I am not sure it is still needed.
159	update
160	#
161	set expgui(expfile) [getExpFileName old]
162	}
163	if {$expgui(expfile) == ""} exit
164	# you've been warned this .EXP does not exist!
165	if ![file exists $expgui(expfile)] {
166	# create an "empty" exp file
167	createexp $expgui(expfile) \
168	[getstring "title for experiment $expgui(expfile)" 60 0]
169	}
170	catch {cd [string trim [file dirname $expgui(expfile)]]}
171
172	#
173	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
174	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
175	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
176	# load exp file and set up dialogs
177	proc loadexp {expfile} {
178	global expgui expmap entryvar entrycmd tcl_platform
179	set exploadtime [time {set fmt [expload $expfile]}]
180	if $expgui(debug) {puts "expload $exploadtime"}
181	# if the file was not in the correct format, force a rewrite before use
182	if {$fmt < 0} {
183	# read error
184	return
185	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
186	set expgui(changed) 1
187	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
188	set expgui(changed) 1
189	} else {
190	set expgui(changed) 0
191	}
192
193	# force exp files to be upper case, force save if name changes
194	set filetail [file tail $expfile]
195	set filetailcaps [string toupper $filetail]
196	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
197	set expgui(changed) 1
198	}
199	if {[file dirname $expfile] == "."} {
200	set expgui(expfile) $filetailcaps
201	} else {
202	set expgui(expfile) [file join \
203	[file dirname $expfile] $filetailcaps]
204	}
205
206	mapexp
207	set expgui(expModifiedLast) 0
208	catch {
209	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
210	}
211	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
212	# set the window/icon title
213	wm title . $expfile
214	set expgui(titleunchanged) 1
215	wm iconname . [file tail $expfile]
216
217	# set the number of phases on the phase page
218	setphases
219
220	# disable the "global options" that don't make sense based
221	# on the histograms present
222	foreach num {1 2 3 4 5} {
223	set flag($num) 0
224	}
225	foreach h $expmap(powderlist) {
226	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
228	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
229	[histinfo $h lam2] != 0.0} {set flag(3) 1}
230	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
231	[histinfo $h lam2] == 0.0} {set flag(4) 1}
232	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
233	}
234	foreach num {1 2 3 4 5} \
235	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
236	"Energy Disp Xray"} {
237	if $flag($num) {
238	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
239	} else {
240	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
241	}
242	}
243	# disable traces on entryvar until we are ready
244	set entrycmd(trace) 0
245	trace vdelete entryvar w entvartrace
246
247	# propogate changes on the least squares page
248	set entryvar(cycles) [expinfo cycles]
249	set entrycmd(cycles) "expinfo cycles"
250	# set expgui(globalmode) 0
251	set expgui(printopt) "Print Options ([expinfo print])"
252	set entryvar(title) [expinfo title]
253	global printopts
254	foreach num [array names printopts] {
255	set entrycmd(printopt$num) "printsetting $num"
256	set entryvar(printopt$num) [printsetting $num]
257	}
258	# enable traces on entryvar
259	set entrycmd(trace) 1
260	trace variable entryvar w entvartrace
261
262	# set fo extraction on LS page
263	SetupExtractHist
264
265	# update the histogram list & the page, if shown
266	sethistlist
267
268	# update the atoms display
269	# DisplayAllAtoms noreset
270	SelectOnePhase $expgui(curPhase)
271
272	# start checking for external changes
273	afterawhile
274	}
275
276	# called to reread the .EXP file
277	proc rereadexp {expfile} {
278	global expgui
279	if $expgui(changed) {
280	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
281	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
282	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
283	switch $decision {
284	0 { savearchiveexp }
285	1 { }
286	2 { return }
287	}
288	}
289	loadexp $expgui(expfile)
290	}
291
292	proc SaveAsFile {} {
293	global expgui
294	set newexpfile [getExpFileName new]
295	if {$newexpfile == ""} return
296	expwrite $newexpfile
297	set expgui(expfile) $newexpfile
298	catch {cd [string trim [file dirname $expgui(expfile)]]}
299	set expgui(changed) 0
300	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
301	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
302	# set the window/icon title
303	wm title . $expgui(expfile)
304	set expgui(titleunchanged) 1
305	wm iconname . [file tail $expgui(expfile)]
306	}
307
308	# called to read a different .EXP file
309	proc readnewexp {} {
310	global expgui expmap
311	if $expgui(changed) {
312	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
313	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
314	{} 0 "Save and read" "Read without Save" "Cancel read command"]
315	switch $decision {
316	0 { savearchiveexp }
317	1 { }
318	2 { return }
319	}
320	}
321	set newexpfile [getExpFileName old]
322	if {$newexpfile == ""} return
323
324	if ![file exists $newexpfile] {
325	# you've been warned this .EXP does not exist!
326	# create an "empty" exp file
327	createexp $newexpfile \
328	[getstring "title for experiment $newexpfile" 60 0]
329	}
330	set expgui(expfile) $newexpfile
331	catch {cd [string trim [file dirname $expgui(expfile)]]}
332	set expgui(globalmode) 0
333	loadexp $expgui(expfile)
334
335	# select the 1st phase
336	SelectOnePhase [lindex $expmap(phaselist) 0]
337	# select the first histogram in the list by default (if there are any)
338	if {[llength $expmap(histlistboxcontents)] > 0} {
339	set expgui(curhist) 0
340	} else {
341	set expgui(curhist) {}
342	}
343	RaisePage lsFrame
344	if {[CountHistory] > 100} {
345	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
346	}
347	}
348
349	#------------- set up data read/write layer ----------------------
350	# trace routine on entryvar
351	proc entvartrace {array elem action} {
352	global expgui entrycmd entryvar
353	if !$entrycmd(trace) return
354
355	catch {
356	if {$entrycmd($elem) == ""} return
357	incr expgui(changed)
358	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
359	if {$entrycmd($elem) == ""} return
360	if [catch {
361	eval $entrycmd($elem) set [list $entryvar($elem)]
362	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
363	after idle {DisplayAllAtoms noreset}
364	}
365	} errmsg] {puts "entvartrace error: $errmsg"}
366	}
367	}
368
369	# disable traces on entryvar until we are ready
370	set entrycmd(trace) 0
371	trace variable entryvar w entvartrace
372
373	#
374	#
375	#
376	##############################################################################
377	##### #####################################################
378	##### PROCEDURES SECTION #####################################################
379	##### #####################################################
380	##############################################################################
381	# reset routine is used for debugging
382	proc reset {} {
383	global expgui script argv
384	set script $expgui(script)
385	set argv $expgui(expfile)
386	# remove traces
387	global entryvar
388	foreach cmd [trace vinfo entryvar] {
389	eval trace vdelete entryvar $cmd
390	}
391	global expgui
392	foreach cmd [trace vinfo expgui(backterms)] {
393	eval trace vdelete entryvar $cmd
394	}
395	foreach cmd [trace vinfo expgui(backtype)] {
396	eval trace vdelete entryvar $cmd
397	}
398	foreach a {
399	expmap expgui entryvar entrycmd
400	expgui_menulist expgui_cmdlist expgui_helplist
401	} {
402	global $a
403	catch {unset $a}
404	}
405	foreach w [winfo children .] {
406	destroy $w
407	}
408
409	uplevel #0 {source $script}
410	}
411
412	# save some of the global options in ~/.gsas_config
413	proc SaveOptions {} {
414	global expgui env tcl_platform
415	set fp [open [file join ~ .gsas_config] a]
416	puts $fp "set expgui(archive) $expgui(archive)"
417	puts $fp "set expgui(asorttype) $expgui(asorttype)"
418	puts $fp "set expgui(hsorttype) $expgui(hsorttype)"
419	puts $fp "set expgui(filesort) $expgui(filesort)"
420	if {$tcl_platform(platform) != "windows"} {
421	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
422	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
423	}
424	close $fp
425	}
426
427	proc About { } {
428	global expgui expmap
429	tk_dialog .about {About...} \
430	"EXPGUI\n\
431	Jonathan Wasserman and Brian Toby\n\
432	NIST Center for Neutron Research\n\n\
433	1998, Not subject to copyright\n\n\
434	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
435	Generalized Structure Analysis System (GSAS)\n\
436	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
437	" \
438	info 0 OK
439	}
440
441	# wait until idle
442	proc afterawhile {} {
443	# cancel any other instances of this loop
444	after cancel afterawhile
445	after cancel whenidle
446	after cancel whenidle
447	after idle whenidle
448	}
449
450	# This is called every 2 seconds to check for changes to the .EXP file
451	proc whenidle {} {
452	global expgui
453	if $expgui(titleunchanged) {
454	if {$expgui(changed) != 0} {
455	wm title . "$expgui(expfile) (modified)"
456	set expgui(titleunchanged) 0
457	}
458	}
459	if {$expgui(expModifiedLast) == 0} {
460	after 2000 afterawhile
461	return
462	}
463	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
464	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
465	if {$ans == 0} {
466	loadexp $expgui(expfile)
467	} elseif {$ans == 1} {
468	# reset the time to the next version
469	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
470	} elseif {$ans == 2} {
471	savearchiveexp
472	}
473	}
474	after 2000 afterawhile
475	}
476
477	# place a message about changes over the main window
478	proc ReloadExpMsg {file changes} {
479	global expgui tcl_platform
480	set msg "File $file has been modified by another program"
481	if {$changes == 1} {
482	append msg " and you have made a change to this version.\n"
483	} elseif {$changes > 0} {
484	append msg " and you have made $changes changes to this version.\n"
485	} else {
486	append msg ".\n"
487	}
488	append msg "Do you want to load the newer version or lose the modification by editing the current version?"
489	set w .ask
490	catch {destroy $w}
491	toplevel $w -class Dialog
492	wm title $w "Reload?"
493	wm iconname $w "Reload?"
494	wm protocol $w WM_DELETE_WINDOW { }
495	wm transient $w .
496	frame $w.bot
497	pack $w.bot -side bottom
498	frame $w.top
499	pack $w.top -side top -fill both -expand 1
500	label $w.top.msg -justify left \
501	-wraplength 5i -font {Times 18} \
502	-text $msg
503	if {$tcl_platform(platform) == "windows"} {
504	$w.top.msg config -font {Times 14}
505	}
506	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
507	pack [button $w.bot.1 -text "Load new" \
508	-default active -command "set expgui(dialogbutton) 0" \
509	] -side left -expand 1 -padx 3m -pady 2m
510	pack [button $w.bot.2 -text "Continue editing" \
511	-command "set expgui(dialogbutton) 1"] \
512	-side left -expand 1 -padx 3m -pady 2m
513	if {$changes > 0} {
514	pack [button $w.bot.3 -text "Save edited version" \
515	-command "set expgui(dialogbutton) 2"] \
516	-side left -expand 1 -padx 3m -pady 2m
517	}
518	# Create a binding for <Return> on the dialog
519	bind $w <Return> "tkButtonInvoke $w.bot.1"
520	wm withdraw $w
521	update idletasks
522
523	# for windows put the box in the upper left, for
524	# unix center it over the parent (in unix it appears later)
525	#if {$tcl_platform(platform) == "windows"} {
526	#wm geom $w +0+0
527	#} else {
528
529	# for now, always center the message over the main window
530	# center the new window in the middle of the parent
531	set x [expr [winfo x .] + [winfo width .]/2 - \
532	[winfo reqwidth $w]/2 - [winfo vrootx .]]
533	set y [expr [winfo y .] + [winfo height .]/2 - \
534	[winfo reqheight $w]/2 - [winfo vrooty .]]
535	wm geom $w +$x+$y
536	#}
537	wm deiconify $w
538
539	# Grab the focus
540	set oldFocus [focus]
541	set oldGrab [grab current $w]
542	if {[string compare $oldGrab ""]} {
543	set grabStatus [grab status $oldGrab]
544	}
545	grab $w
546	focus $w.bot.1
547	# for windows rearrange window stacking
548	if {$tcl_platform(platform) == "windows"} {
549	lower .
550	raise $w .
551	}
552	update idletasks
553
554	tkwait variable expgui(dialogbutton)
555	catch {focus $oldFocus}
556	destroy $w
557	if {[string compare $oldGrab ""]} {
558	if {![string compare $grabStatus "global"]} {
559	grab -global $oldGrab
560	} else {
561	grab $oldGrab
562	}
563	}
564	raise .
565	return $expgui(dialogbutton)
566	}
567
568	# -------- called to confirm before exiting
569	proc catchQuit {} {
570	if {[confirmBeforeSave] == "Continue"} {
571	destroy .
572	}
573	}
574	# save the .EXP file before exiting?
575	proc confirmBeforeSave {} {
576	global expgui
577	if !$expgui(changed) {
578	return "Continue"
579	}
580	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
581	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
582	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
583	switch $decision {
584	0 { savearchiveexp; return "Continue" }
585	1 { return "Continue" }
586	2 { return "Cancel" }
587	}
588	}
589
590	proc archiveexp {} {
591	global expgui tcl_platform
592	# is there a file to archive
593	if {![file exists $expgui(expfile)]} return
594	catch {
595	set expnam [file rootname $expgui(expfile)]
596	if {$tcl_platform(platform) == "windows"} {
597	set version -1
598	catch {source $expnam.version}
599	incr version
600	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
601	# archive w/o pkzip
602	set file $expnam![format "%3.3d" $version].EXP
603	file copy -force $expnam.EXP $file
604	set fp [open $expnam.lst a]
605	puts $fp "\n--------------------------------------------------------------"
606	puts $fp "Archiving $expnam.EXP as $file"
607	puts $fp "--------------------------------------------------------------\n"
608	close $fp
609	} else {
610	# archive with PKZIP
611	# need to limit expnam to 8 characters
612	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
613	# PKZIP can't handle long dir names either
614	cd [set dir [file dirname $expnam]]
615	set file $sexp.[format "%3.3d" $version]
616	file copy -force $expnam.EXP $file
617	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
618	set fp [open $expnam.lst a]
619	puts $fp "\n--------------------------------------------------------------"
620	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
621	puts $fp "--------------------------------------------------------------\n"
622	close $fp
623	}
624	set fp [open $expnam.version w]
625	puts $fp "set version $version"
626	close $fp
627	} else {
628	set files [glob -nocomplain $expnam.EXP.*]
629	if {$files == ""} {
630	set file $expnam.EXP.000
631	} else {
632	set file [lindex [lsort -decreasing $files] 0]
633	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
634	incr number
635	set file $expnam.EXP.[format "%3.3d" $number]
636	}
637	exec cp $expgui(expfile) $file
638	if [catch {exec gzip $file}] {
639	exec echo "\n----------------------------------------------" >> $expnam.LST
640	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
641	exec echo "----------------------------------------------\n" >> $expnam.LST
642	} else {
643	exec echo "\n----------------------------------------------" >> $expnam.LST
644	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
645	exec echo "----------------------------------------------\n" >> $expnam.LST
646	}
647	}
648	} errmsg
649	if {$errmsg != ""} {
650	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
651	}
652	}
653
654	# save and optionally archive the expfile
655	proc savearchiveexp {} {
656	global expgui expmap
657	if !$expgui(changed) return
658	if $expgui(archive) archiveexp
659	# add a history record
660	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
661	# now save the file
662	expwrite $expgui(expfile)
663	set expgui(changed) 0
664	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
665	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
666	wm title . $expgui(expfile)
667	set expgui(titleunchanged) 1
668	}
669
670	# setup buttons for each phase on the phase page
671	proc setphases {} {
672	global expgui expmap
673	eval destroy [pack slaves $expgui(phaseFrame).top.ps]
674	foreach num $expmap(phaselist) type $expmap(phasetype) {
675	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
676	-command "SelectOnePhase $num"] -side left
677	if {$type > 3} {
678	$expgui(phaseFrame).top.ps.$num config -state disabled
679	}
680	}
681	}
682
683	# Procedure to respond to changes the phase.
684	# This loads the "phases" widgets with data corresponding to the selected phase.
685	proc SelectOnePhase {num} {
686	global entryvar entrycmd expmap expgui
687	set crsPhase {}
688	foreach n $expmap(phaselist) type $expmap(phasetype) {
689	if {$n == $num && $type <= 3} {
690	$expgui(phaseFrame).top.ps.$num config -relief sunken
691	set crsPhase $num
692	if {$type == 3} {
693	set expgui(phasetype) "Magnetic\nOnly"
694	} elseif {$type == 2} {
695	set expgui(phasetype) "Magnetic\n& Nuclear"
696	} elseif {$type == 4} {
697	# this is not used at present
698	set expgui(phasetype) "Macromolecular"
699	} else {
700	set expgui(phasetype) ""
701	}
702	} else {
703	$expgui(phaseFrame).top.ps.$n config -relief raised
704	}
705	}
706	# no phase is selected
707	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
708	# disable traces on entryvar
709	set entrycmd(trace) 0
710	set entrycmd(phasename) ""
711	set entryvar(phasename) ""
712	foreach ent {a b c alpha beta gamma cellref celldamp} {
713	set entrycmd($ent) ""
714	set entryvar($ent) ""
715	}
716	set expgui(curPhase) {}
717	# enable traces on entryvar
718	set entrycmd(trace) 1
719	$expgui(EditingAtoms) config -text ""
720	DisplayAtom 0 0
721	DisplayU 0 0
722	DisplayRefFlags 0 0
723	$expgui(atomlistbox) delete 0 end
724	return
725	}
726
727	set expgui(curPhase) $crsPhase
728	# we have a phase
729
730	# disable traces on entryvar for right now
731	set entrycmd(trace) 0
732
733	##########################################################
734	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
735	##########################################################
736	# phase title
737	set entrycmd(phasename) "phaseinfo $crsPhase name"
738	set entryvar(phasename) [phaseinfo $crsPhase name]
739	# cell parameters & flags
740	foreach ent {a b c alpha beta gamma cellref celldamp} {
741	set entrycmd($ent) "phaseinfo $crsPhase $ent"
742	set entryvar($ent) [phaseinfo $crsPhase $ent]
743	}
744
745	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
746	# initialize to diasbled
747	DisplayAtom 0 0
748	DisplayU 0 0
749	DisplayRefFlags 0 0
750	$expgui(EditingAtoms) config -text ""
751
752	DisplayAllAtoms
753
754	# enable traces on entryvar now
755	set entrycmd(trace) 1
756	}
757
758	set expgui(noreenterDisplayAllAtoms) 0
759	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
760	proc DisplayAllAtoms {"mode reset"} {
761	global entryvar entrycmd expmap expgui
762	# if it does not show, dont bother
763	if {$expgui(pagenow) != "phaseFrame"} return
764	if {$expgui(curPhase) == ""} return
765	if $expgui(noreenterDisplayAllAtoms) return
766
767	set expgui(noreenterDisplayAllAtoms) 1
768	if {$mode != "reset"} {
769	# save the scrolled position
770	set pos [lindex [$expgui(atomlistbox) yview] 0]
771	} else {
772	# this is a reset -- clear the selected atoms list
773	set expgui(selectedatomlist) {}
774	}
775	$expgui(atomlistbox) delete 0 end
776	# loop over atoms
777	set maxline I
778	set phase $expgui(curPhase)
779	set atomlist {}
780	if {$expgui(asorttype) == "type"} {
781	# sort on atom type
782	foreach atom $expmap(atomlist_$phase) {
783	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
784	}
785	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
786	} elseif {$expgui(asorttype) == "number"} {
787	# sort on atom number
788	foreach atom $expmap(atomlist_$phase) {
789	lappend atomlist "$atom $atom $phase"
790	}
791	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
792	} elseif {$expgui(asorttype) == "x"} {
793	# sort on x
794	foreach atom $expmap(atomlist_$phase) {
795	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
796	}
797	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
798	} elseif {$expgui(asorttype) == "y"} {
799	# sort on y
800	foreach atom $expmap(atomlist_$phase) {
801	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
802	}
803	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
804	} elseif {$expgui(asorttype) == "z"} {
805	# sort on z
806	foreach atom $expmap(atomlist_$phase) {
807	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
808	}
809	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
810	} else {
811	error "Bad expgui(asorttype = $expgui(asorttype)"
812	}
813
814	foreach tuple $expmap(atomlistboxcontents) {
815	set atom [lindex $tuple 0]
816	set phase [lindex $tuple 2]
817	set refflag {}
818	foreach type {x u f} {
819	if {[atominfo $phase $atom ${type}ref]} {
820	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
821	} else {
822	append refflag " [atominfo $phase $atom ${type}damp] "
823	}
824	}
825	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
826	$atom \
827	[atominfo $phase $atom label] \
828	[atominfo $phase $atom type] \
829	$refflag \
830	[atominfo $phase $atom x] \
831	[atominfo $phase $atom y] \
832	[atominfo $phase $atom z] \
833	[atominfo $phase $atom frac]
834	]
835	# add temperature factors (iso/anoiso)
836	if {[atominfo $phase $atom temptype] == "A"} {
837	set maxline A
838	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
839	[atominfo $phase $atom U11] \
840	[atominfo $phase $atom U22] \
841	[atominfo $phase $atom U33] \
842	[atominfo $phase $atom U12] \
843	[atominfo $phase $atom U23] \
844	[atominfo $phase $atom U13]
845	]
846	} else {
847	append line [format " %9.5f" \
848	[atominfo $phase $atom Uiso]
849	]
850	}
851	$expgui(atomlistbox) insert end $line
852	}
853	$expgui(atomtitle) delete 0 end
854	if {$maxline == "A"} {
855	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
856	" name " "type " "ref/damp " "fractional coordinates " \
857	" Occupancy" \
858	"Uiso/Uij "]
859	} else {
860	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
861	" name " "type " "ref/damp " "fractional coordinates " \
862	" Occupancy" \
863	"Uiso"]
864	}
865	if {$mode != "reset"} {
866	# restore the selected items
867	foreach i $expgui(selectedatomlist) {
868	$expgui(atomlistbox) selection set $i
869	}
870	# restore the last scrolled position
871	$expgui(atomlistbox) yview moveto $pos
872	}
873	set expgui(noreenterDisplayAllAtoms) 0
874	}
875
876	# Procedure to select all atoms in response to a right-click
877	proc SelectAllAtoms {} {
878	global expgui
879	$expgui(atomlistbox) selection set 0 end
880	# call editRecord in case trace was called before the selection was made
881	editRecord
882	}
883
884	# Procedure to respond to left mouse release in the atoms Pane
885	proc editRecord { args } {
886	global entrycmd expgui
887	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
888	# disable traces on entryvar for right now
889	set entrycmd(trace) 0
890
891	if {[llength $expgui(selectedatomlist)] == 0} {
892	puts "How did this happen: [$expgui(atomlistbox) curselection]"
893	} elseif {[llength $expgui(selectedatomlist)] == 1} {
894	editOneRecord $expgui(selectedatomlist)
895	} else {
896	editMultipleRecords $expgui(selectedatomlist)
897	}
898	# reenable traces on entryvar
899	set entrycmd(trace) 1
900	# repaint the atoms box in case anything was changed
901	# DisplayAllAtoms noreset
902	}
903
904	proc editOneRecord { AtomIndex } {
905	global expmap expgui
906	# get atom number & phase
907	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
908	set atomnum [lindex $tuple 0]
909	set p [lindex $tuple 2]
910	DisplayU $atomnum $p
911	DisplayAtom $atomnum $p
912	DisplayRefFlags $atomnum $p
913	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
914	}
915
916	# this will not work for a multi-phase list of atoms (yet)
917	proc editMultipleRecords { AtomIndexList } {
918	global expmap expgui
919	set numberList {}
920	# current phase
921	set p $expgui(curPhase)
922	foreach AtomIndex $AtomIndexList {
923	# get atom number & phase
924	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
925	lappend numberList [lindex $tuple 0]
926	# set p [lindex $tuple 2]
927	}
928	# this needs to track by phase
929	$expgui(EditingAtoms) config -text \
930	"Set refinement options: atoms [CompressList $numberList]"
931	DisplayU 0 0
932	DisplayAtom 0 0
933	# this needs to track by phase
934	DisplayRefFlags $numberList $p
935	}
936
937	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
938	# becomes "1-4,6,7,13-15,19"
939	proc CompressList {numberList} {
940	# format the number list to save space
941	set lastnum -99
942	set flist {}
943	set count 0
944	foreach num [lsort -integer $numberList] {
945	set next [expr $lastnum+1]
946	if {$num != $next} {
947	if {$count == 0 && $flist != ""} {
948	append flist ",$num"
949	} elseif {$count == 1 && $flist != ""} {
950	append flist ",$lastnum,$num"
951	} elseif {$flist != ""} {
952	append flist "-$lastnum,$num"
953	} else {
954	append flist "$num"
955	}
956	set lastnum $num
957	set count 0
958	} else {
959	incr count
960	incr lastnum
961	}
962	}
963	if {$count == 1 && $flist != ""} {
964	append flist ",$lastnum"
965	} elseif {$flist != "" && $count > 1} {
966	append flist "-$lastnum"
967	}
968	return $flist
969	}
970
971	# Procedure to display Isotropic or Anisotropic temperature factors
972	# Changes the display to one entry widget for Isotropic motion OR
973	# 6 entry widgets for Anisotropic motion in Frame3.
974	# or disables the widet entirly if atom = 0
975	proc DisplayU { atomnum p} {
976	global expgui entryvar entrycmd
977	if {$atomnum == 0} {
978	set iOrA disable
979	} else {
980	set iOrA [atominfo $p $atomnum temptype]
981	}
982
983	set firstbox [lindex $expgui(anisolabels) 0]
984	if { $iOrA == "A" } {
985	$firstbox config -text "U11 "
986	foreach item $expgui(anisolabels) {
987	$item config -fg black
988	}
989	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
990	set entrycmd($var) "atominfo $p $atomnum $var"
991	set entryvar($var) [eval $entrycmd($var)]
992	$item config -fg black -state normal -bg white
993	}
994	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
995	foreach item $expgui(anisolabels) {
996	# $item config -fg grey
997	$item config -fg beige
998	}
999	foreach item [lrange $expgui(anisoentry) 1 end] \
1000	var {U22 U33 U12 U13 U23} {
1001	set entrycmd($var) ""
1002	set entryvar($var) ""
1003	$item config -fg beige -bg beige -state disabled
1004	}
1005	if { $iOrA == "disable"} {
1006	set entrycmd($var) ""
1007	set entryvar($var) ""
1008	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1009	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1010	} else {
1011	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1012	set entryvar(U11) [eval $entrycmd(U11)]
1013	$firstbox config -text Uiso -fg black
1014	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1015	}
1016	}
1017	}
1018
1019	# need to think about multiple phases
1020
1021	# Procedure to display refinement flags
1022	proc DisplayRefFlags { atomnum p} {
1023	global expgui entryvar entrycmd
1024	if {$atomnum == 0} {
1025	foreach label $expgui(atomreflbl) {
1026	$label config -fg beige
1027	}
1028	foreach entry $expgui(atomref) {
1029	$entry config -state disabled -fg beige -bg beige
1030	}
1031	return
1032	}
1033	foreach label $expgui(atomreflbl) {
1034	$label config -fg black
1035	}
1036	foreach entry $expgui(atomref) {
1037	$entry config -state normal -fg black -bg beige
1038	}
1039	foreach var {xref uref fref xdamp udamp fdamp} {
1040	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1041	set entryvar($var) [eval $entrycmd($var)]
1042	}
1043	}
1044
1045	# Procedure to display an atom in the atom edit boxes
1046	proc DisplayAtom { atomnum p} {
1047	global expgui entryvar entrycmd
1048	if {$atomnum == 0} {
1049	foreach label $expgui(atomlabels) {
1050	$label config -fg beige
1051	}
1052	foreach entry $expgui(atomentry) {
1053	$entry config -state disabled -fg beige -bg beige
1054	}
1055	return
1056	}
1057	foreach label $expgui(atomlabels) {
1058	$label config -fg black
1059	}
1060	foreach entry $expgui(atomentry) {
1061	$entry config -state normal -fg black -bg white
1062	}
1063	foreach var {x y z label frac } {
1064	set entrycmd($var) "atominfo $p $atomnum $var"
1065	set entryvar($var) [eval $entrycmd($var)]
1066	}
1067	}
1068
1069	# update the histogram list
1070	# to do: show histogram ref flags?
1071	proc sethistlist {} {
1072	global expgui expmap
1073	foreach lbox $expgui(HistSelectList) {
1074	$lbox.title delete 0 end
1075	$lbox.lbox delete 0 end
1076	if {$expgui(globalmode) != 0} {
1077	$lbox.lbox config -selectmode extended
1078	} else {
1079	$lbox.lbox config -selectmode browse
1080	}
1081	}
1082	# disable the unallowed pages in all mode
1083	if {$expgui(globalmode) == 6} {
1084	foreach pair $expgui(GlobalModeAllDisable) {
1085	if {$expgui(pagenow) == [lindex $pair 0]} {
1086	RaisePage lsFrame
1087	}
1088	eval [lindex $pair 1] -state disabled
1089	}
1090	} else {
1091	foreach pair $expgui(GlobalModeAllDisable) {
1092	eval [lindex $pair 1] -state normal
1093	}
1094	}
1095	set histlist {}
1096	if {$expgui(hsorttype) == "type"} {
1097	# sort on histogram type
1098	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1099	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1100	}
1101	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1102	} elseif {$expgui(hsorttype) == "number"} {
1103	# sort on histogram number
1104	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1105	lappend histlist "$h $h"
1106	}
1107	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1108	} elseif {$expgui(hsorttype) == "bank"} {
1109	# sort on original bank number
1110	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1111	lappend histlist "$h [histinfo $h bank]"
1112	}
1113	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1114	} elseif {$expgui(hsorttype) == "angle"} {
1115	# sort on wavelength (CW) or angle (E disp.)
1116	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1117	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1118	set det [format %8.2f [histinfo $h tofangle]]
1119	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1120	set det [format %8.5f [histinfo $h lam1]]
1121	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1122	set det [format %8.2f [histinfo $h lam1]]
1123	} else {
1124	set det {}
1125	}
1126	lappend histlist "$h $det"
1127	}
1128	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1129	}
1130
1131	# title field needs to match longest title
1132	foreach lbox $expgui(HistSelectList) {
1133	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1134	"h#" \
1135	type \
1136	bank \
1137	"ang/wave" \
1138	" title" \
1139	]
1140	}
1141	foreach tuple $expmap(histlistboxcontents) {
1142	set h [lindex $tuple 0]
1143
1144	if {$expgui(globalmode) == 1} {
1145	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1146	} elseif {$expgui(globalmode) == 2} {
1147	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1148	} elseif {$expgui(globalmode) == 3} {
1149	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1150	[histinfo $h lam2] == 0.0} continue
1151	} elseif {$expgui(globalmode) == 4} {
1152	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1153	[histinfo $h lam2] != 0.0} continue
1154	} elseif {$expgui(globalmode) == 5} {
1155	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1156	}
1157
1158	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1159	set det [format %8.2f [histinfo $h tofangle]]
1160	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1161	set det [format %8.5f [histinfo $h lam1]]
1162	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1163	set det [format %8.2f [histinfo $h lam1]]
1164	} else {
1165	set det {}
1166	}
1167	foreach lbox $expgui(HistSelectList) {
1168	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1169	$h \
1170	[string range $expmap(htype_$h) 1 2] \
1171	[histinfo $h bank] \
1172	$det \
1173	[string range [histinfo $h title] 0 66] \
1174	]
1175	}
1176	}
1177	foreach set $expgui(frameactionlist) {
1178	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1179	}
1180	}
1181
1182	#-----------------------------------------------------------------------
1183	# ----------- draw Histogram page
1184	#-----------------------------------------------------------------------
1185	proc DisplayHistogram {} {
1186	global expgui entrycmd entryvar expmap
1187
1188	# trap if more than one histogram is selected unless global mode
1189	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1190	set expgui(curhist) [lindex $expgui(curhist) 0]
1191	}
1192
1193	# display the selected histograms
1194	$expgui(histFrame).hs.lbox selection clear 0 end
1195	foreach h $expgui(curhist) {
1196	$expgui(histFrame).hs.lbox selection set $h
1197	}
1198
1199	# disable traces on entryvar for right now
1200	set entrycmd(trace) 0
1201
1202	# get histogram list
1203	set histlist {}
1204	foreach item $expgui(curhist) {
1205	lappend histlist [lindex $expmap(powderlist) $item]
1206	}
1207	# must have at least one histogram selected here
1208	if {[llength $histlist] == 0} {
1209	set expgui(backtermlbl) ""
1210	set expgui(backtypelbl) ""
1211	foreach var {bref bdamp} {
1212	set entrycmd($var) ""
1213	set entryvar($var) ""
1214	}
1215	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1216	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1217	set expgui(bkglbl) ""
1218	eval destroy [grid slaves $expgui(diffBox)]
1219	set entrycmd(trace) 1
1220	return
1221	}
1222
1223	if {$expgui(globalmode) != 0} {
1224	set expgui(backtermlbl) ""
1225	set expgui(backtypelbl) ""
1226	foreach var {bref bdamp} {
1227	set entrycmd($var) "histinfo [list $histlist] $var"
1228	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1229	}
1230	} else {
1231	set hist $histlist
1232	set terms [histinfo $hist backterms]
1233	set expgui(backtermlbl) "($terms terms)"
1234	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1235	foreach var {bref bdamp} {
1236	set entrycmd($var) "histinfo $hist $var"
1237	set entryvar($var) [eval $entrycmd($var)]
1238	}
1239	}
1240	# Top box
1241	if {$expgui(globalmode) != 0} {
1242	$expgui(histFrame).top.txt config \
1243	-text "Selected Histograms: [CompressList $histlist]"
1244	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1245	set expgui(bkglbl) "Globally Edit Background"
1246	} else {
1247	grid forget $expgui(histFrame).top
1248	set expgui(bkglbl) "Edit Background"
1249	}
1250
1251	# diffractometer constants
1252	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1253	wref pref dcref daref ratref ttref zref } {
1254	set entrycmd($var) "histinfo [list $histlist] $var"
1255	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1256	}
1257
1258	eval destroy [grid slaves $expgui(diffBox)]
1259	if {$expgui(globalmode) == 0} {
1260	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1261	#------
1262	# TOF \|
1263	#------
1264	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1265	-column 1 -row 1
1266	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1267	-column 2 -row 1
1268	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1269	-column 3 -row 1 -sticky w
1270	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1271	-width 15 ] -column 4 -row 1
1272	#
1273	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1274	-column 1 -row 2
1275	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1276	-column 2 -row 2
1277	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1278	-column 3 -row 2
1279	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1280	-width 15 ] -column 4 -row 2
1281	#
1282	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1283	-column 3 -row 3
1284	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1285	-width 15 ] -column 4 -row 3
1286	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1287	-column 1 -row 3 -sticky w
1288	grid [ checkbutton $expgui(diffBox).rfDCzref \
1289	-variable entryvar(zref) ] -column 2 -row 3
1290	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1291	#---------------
1292	# CW - neutron \|
1293	#---------------
1294	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1295	-column 1 -row 1
1296	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1297	-column 2 -row 1
1298	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1299	-column 3 -row 1 -sticky w
1300	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1301	-width 15 ] -column 4 -row 1
1302	#
1303	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1304	-column 1 -row 3 -sticky w
1305	grid [ checkbutton $expgui(diffBox).rfDCzref \
1306	-variable entryvar(zref) ] -column 2 -row 3
1307	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1308	-column 3 -row 3
1309	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1310	-width 15 ] -column 4 -row 3
1311	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1312	[histinfo $hist lam2] == 0.0} {
1313	#--------------------------
1314	# CW - x-ray 1 wavelength \|
1315	#--------------------------
1316	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1317	-column 1 -row 1
1318	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1319	-column 2 -row 1
1320	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1321	-column 3 -row 1 -sticky w
1322	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1323	-width 15 ] -column 4 -row 1
1324	#
1325	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1326	-column 1 -row 3 -sticky w
1327	grid [ checkbutton $expgui(diffBox).rfDCzref \
1328	-variable entryvar(zref) ] -column 2 -row 3
1329	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1330	-column 3 -row 3
1331	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1332	-width 15 ] -column 4 -row 3
1333	#
1334	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1335	-column 1 -row 4 -sticky w
1336	grid [ checkbutton $expgui(diffBox).rfDCpref \
1337	-variable entryvar(pref) ] -column 2 -row 4
1338	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1339	-column 3 -row 4
1340	grid [ entry $expgui(diffBox).eDCpola \
1341	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1342	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1343	-column 5 -row 4
1344	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1345	-textvariable entryvar(ipola)] -column 6 -row 4
1346	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1347	#---------------------------
1348	# CW - x-ray 2 wavelengths \|
1349	#---------------------------
1350	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1351	-column 3 -row 1 -sticky w
1352	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1353	-width 15 ] -column 4 -row 1
1354	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1355	-width 15 ] -column 5 -row 1
1356	#
1357	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1358	-column 1 -row 2 -sticky w
1359	grid [ checkbutton $expgui(diffBox).rfDCrref \
1360	-variable entryvar(ratref) ] -column 2 -row 2
1361	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1362	-column 3 -row 2
1363	grid [ entry $expgui(diffBox).eDCkratio \
1364	-textvariable entryvar(kratio) \
1365	-width 15 ] -column 4 -row 2
1366	#
1367	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1368	-column 3 -row 3
1369	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1370	-width 15 ] -column 4 -row 3
1371	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1372	-column 1 -row 3 -sticky w
1373	grid [ checkbutton $expgui(diffBox).rfDCzref \
1374	-variable entryvar(zref) ] -column 2 -row 3
1375	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1376	-column 1 -row 4 -sticky w
1377	grid [ checkbutton $expgui(diffBox).rfDCpref \
1378	-variable entryvar(pref) ] -column 2 -row 4
1379	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1380	-column 3 -row 4
1381	grid [ entry $expgui(diffBox).eDCpola \
1382	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1383	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1384	-column 5 -row 4
1385	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1386	-textvariable entryvar(ipola)] -column 6 -row 4
1387	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1388	#-------------
1389	# ED - x-ray \|
1390	#-------------
1391	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1392	-column 1 -row 1
1393	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1394	-column 2 -row 1
1395	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1396	-column 3 -row 1 -sticky w
1397	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1398	-width 15 ] -column 4 -row 1
1399	#
1400	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1401	-column 1 -row 4 -sticky w
1402	grid [ checkbutton $expgui(diffBox).rfDCpref \
1403	-variable entryvar(pref) ] -column 2 -row 4
1404	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1405	-column 3 -row 4
1406	grid [ entry $expgui(diffBox).eDCpola \
1407	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1408	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1409	-column 5 -row 4
1410	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1411	-textvariable entryvar(ipola)] -column 6 -row 4
1412	}
1413	} elseif {$expgui(globalmode) == 1} {
1414	#-------------
1415	# Global TOF \|
1416	#-------------
1417	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1418	-column 1 -row 1
1419	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1420	-column 2 -row 1
1421	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1422	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1423	#
1424	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1425	-column 1 -row 2
1426	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1427	-column 2 -row 2
1428	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1429	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1430	#
1431	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1432	-column 1 -row 3 -sticky w
1433	grid [ checkbutton $expgui(diffBox).rfDCzref \
1434	-variable entryvar(zref) ] -column 2 -row 3
1435	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1436	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1437	} elseif {$expgui(globalmode) == 2} {
1438	#--------------------
1439	# Global CW neutron \|
1440	#--------------------
1441	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1442	-column 1 -row 1
1443	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1444	-column 2 -row 1
1445	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1446	-command "editglobalparm histinfo lam1 Wavelength"] \
1447	-column 3 -row 1
1448	#
1449	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1450	-column 1 -row 3 -sticky w
1451	grid [ checkbutton $expgui(diffBox).rfDCzref \
1452	-variable entryvar(zref) ] -column 2 -row 3
1453	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1454	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1455	} elseif {$expgui(globalmode) == 4} {
1456	#----------------------
1457	# Global CW mono xray \|
1458	#----------------------
1459	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1460	-column 1 -row 1
1461	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1462	-column 2 -row 1
1463	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1464	-command "editglobalparm histinfo lam1 Wavelength"] \
1465	-column 3 -row 1
1466	#
1467	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1468	-column 1 -row 3 -sticky w
1469	grid [ checkbutton $expgui(diffBox).rfDCzref \
1470	-variable entryvar(zref) ] -column 2 -row 3
1471	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1472	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1473	#
1474	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1475	-column 1 -row 4 -sticky w
1476	grid [ checkbutton $expgui(diffBox).rfDCpref \
1477	-variable entryvar(pref) ] -column 2 -row 4
1478	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1479	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1480	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1481	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1482	} elseif {$expgui(globalmode) == 3} {
1483	#------------------------
1484	# Global alpha 1,2 xray \|
1485	#------------------------
1486	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1487	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1488	-column 3 -row 1
1489	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1490	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1491	-column 4 -row 1
1492	#
1493	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1494	-column 1 -row 3 -sticky w
1495	grid [ checkbutton $expgui(diffBox).rfDCratref \
1496	-variable entryvar(ratref) ] -column 2 -row 3
1497	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1498	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1499	-column 3 -row 3
1500	#
1501	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1502	-column 1 -row 3 -sticky w
1503	grid [ checkbutton $expgui(diffBox).rfDCzref \
1504	-variable entryvar(zref) ] -column 2 -row 3
1505	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1506	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1507	#
1508	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1509	-column 1 -row 4 -sticky w
1510	grid [ checkbutton $expgui(diffBox).rfDCpref \
1511	-variable entryvar(pref) ] -column 2 -row 4
1512	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1513	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1514	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1515	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1516	} elseif {$expgui(globalmode) == 5} {
1517	#-----------------
1518	# Global ED xray \|
1519	#-----------------
1520	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1521	-column 1 -row 1
1522	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1523	-column 2 -row 1
1524	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1525	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1526	-column 3 -row 1
1527	#
1528	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1529	-column 1 -row 4 -sticky w
1530	grid [ checkbutton $expgui(diffBox).rfDCpref \
1531	-variable entryvar(pref) ] -column 2 -row 4
1532	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1533	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1534	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1535	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1536	}
1537	if {$expgui(globalmode) == 0} {
1538	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1539	-columnspan 2 -sticky e
1540	} else {
1541	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1542	-columnspan 2 -sticky e
1543	}
1544	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1545	-column 1 -row 1
1546	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1547	grid $expgui(diffBox).d.om -column 2 -row 1
1548	grid columnconfigure $expgui(diffBox) 9 -weight 1
1549	grid columnconfigure $expgui(diffBox) 0 -weight 1
1550	update idletasks
1551	# enable traces on entryvar now
1552	set entrycmd(trace) 1
1553	}
1554
1555	#-----------------------------------------------------------------------
1556	# populate the Scaling page
1557	#-----------------------------------------------------------------------
1558	proc DisplayFrac {} {
1559	global expgui entrycmd entryvar expmap
1560
1561	# trap if more than one histogram is selected unless global mode
1562	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1563	set expgui(curhist) [lindex $expgui(curhist) 0]
1564	}
1565
1566	# display the selected histograms
1567	$expgui(fracFrame).hs.lbox selection clear 0 end
1568	foreach h $expgui(curhist) {
1569	$expgui(fracFrame).hs.lbox selection set $h
1570	}
1571
1572	# disable traces on entryvar
1573	set entrycmd(trace) 0
1574
1575	# get histogram list
1576	set histlist {}
1577	foreach item $expgui(curhist) {
1578	lappend histlist [lindex $expmap(powderlist) $item]
1579	}
1580
1581	# must have at least one histogram selected here
1582	if {[llength $histlist] == 0} {
1583	foreach var {scale sref sdamp} {
1584	set entrycmd($var) ""
1585	set entryvar($var) ""
1586	}
1587	set parm [grid info $expgui(scaleBox).but1]
1588	if {$parm != ""} {
1589	grid forget $expgui(scaleBox).but1
1590	eval grid $expgui(scaleBox).ent1 $parm
1591	}
1592	# destroy the contents of the frame
1593	set phaseFractf1 $expgui(FracBox).f
1594	eval destroy [grid slaves $phaseFractf1]
1595	# reenable traces on entryvar
1596	set entrycmd(trace) 1
1597	return
1598	}
1599
1600	#--------------
1601	# Scale factor
1602	#--------------
1603	if {$expgui(globalmode) != 0} {
1604	foreach var {scale sref sdamp} {
1605	set entrycmd($var) "histinfo [list $histlist] $var"
1606	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1607	}
1608	set parm [grid info $expgui(scaleBox).ent1]
1609	if {$parm != ""} {
1610	grid forget $expgui(scaleBox).ent1
1611	eval grid $expgui(scaleBox).but1 $parm
1612	}
1613	} else {
1614	set hist $histlist
1615	foreach var {scale sref sdamp} {
1616	set entrycmd($var) "histinfo $hist $var"
1617	set entryvar($var) [eval $entrycmd($var)]
1618	}
1619	set parm [grid info $expgui(scaleBox).but1]
1620	if {$parm != ""} {
1621	grid forget $expgui(scaleBox).but1
1622	eval grid $expgui(scaleBox).ent1 $parm
1623	}
1624	}
1625
1626	#----------------
1627	# Phase Fractions
1628	#----------------
1629	set phaseFractf1 $expgui(FracBox).f
1630	# destroy the contents of the frame
1631	eval destroy [grid slaves $phaseFractf1]
1632	if {$expgui(globalmode) != 0} {
1633	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1634	} else {
1635	set txt "Phase Fractions"
1636	}
1637	if $expgui(haveBW) {
1638	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1639	} else {
1640	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1641	-column 0 -row 0 -sticky news
1642	}
1643	# Create the frame inside the canvas, One frame for each Phase.
1644	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1645	foreach hist $histlist {
1646	foreach i $expmap(phaselist_$hist) {
1647	lappend phasehistlist($i) $hist
1648	}
1649	}
1650	foreach i {1 2 3 4 5 6 7 8 9} {
1651	if {[llength $phasehistlist($i)] == 0} continue
1652	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1653	grid $framePF -column 0 -row $i -sticky ew
1654	# Label Heading for each phase.
1655	if {$expgui(globalmode) != 0} {
1656	grid [label $framePF.l1 \
1657	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1658	-column 0 -row 0 -sticky nws
1659	grid [button $framePF.but1 -text "Set Globally" \
1660	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1661	[list $phasehistlist($i)] $i" \
1662	] -column 1 -row 0
1663	} else {
1664	grid [label $framePF.l1 -text "Phase $i"] \
1665	-column 0 -row 0 -sticky nws
1666	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1667	-column 1 -row 0
1668	}
1669	set entrycmd(frac$i) "hapinfo $hist $i frac"
1670	set entryvar(frac$i) [hapinfo $hist $i frac]
1671	grid [label $framePF.l2 -text " Refine"] \
1672	-column 2 -row 0 -sticky nws
1673	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1674	-column 3 -row 0 -sticky nws
1675	set entrycmd(frref$i) "hapinfo $hist $i frref"
1676	set entryvar(frref$i) [hapinfo $hist $i frref]
1677	grid [label $framePF.l3 -text " Damping"] \
1678	-column 4 -row 0 -sticky nws
1679	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1680	0 1 2 3 4 5 6 7 8 9
1681	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1682	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1683	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1684	}
1685	# resize the scroll window to match the actual
1686	update idletasks
1687	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1688	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1689	update idletasks
1690	# enable traces on entryvar now
1691	set entrycmd(trace) 1
1692	}
1693
1694	#-----------------------------------------------------------------------
1695	# display the profile page
1696	#-----------------------------------------------------------------------
1697	proc DisplayProfile {} {
1698	global expgui entrycmd entryvar expmap
1699
1700	# trap if more than one histogram is selected unless global mode
1701	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1702	set expgui(curhist) [lindex $expgui(curhist) 0]
1703	}
1704	# display the selected histograms
1705	$expgui(profFrame).hs.lbox selection clear 0 end
1706	foreach h $expgui(curhist) {
1707	$expgui(profFrame).hs.lbox selection set $h
1708	}
1709
1710	# destroy the contents of the frame
1711	eval destroy [grid slaves $expgui(ProfileBox).f]
1712
1713	if {$expgui(globalmode) == 0} {
1714	# must have at least one histogram selected here
1715	if {[llength $expgui(curhist)] == 0} return
1716	# disable traces on entryvar for right now
1717	set entrycmd(trace) 0
1718	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1719	# no defined histograms?
1720	if {$hist == ""} return
1721	# Create one frame for each Phase.
1722	set ind -1
1723	set htype [string range $expmap(htype_$hist) 2 2]
1724	foreach i $expmap(phaselist_$hist) {
1725	incr ind
1726	# Label Heading for each phase.
1727	set ptype [string trim [hapinfo $hist $i proftype]]
1728	if {$expgui(haveBW)} {
1729	grid [TitleFrame $expgui(ProfileBox).f.$i \
1730	-text "Hist $hist -- Phase $i (type $ptype)" \
1731	-relief groove -bd 2] \
1732	-column 0 -row $ind -sticky ew
1733	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1734	grid [frame $ProfileFrame.1] \
1735	-column 0 -row 0 -columnspan 10
1736	pack [label $ProfileFrame.1.l \
1737	-text Damping]\
1738	-side left
1739	} else {
1740	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1741	-column 0 -row $ind -sticky ew
1742	set ProfileFrame $expgui(ProfileBox).f.$i
1743	grid [frame $ProfileFrame.1] \
1744	-column 0 -row 0 -columnspan 10 -sticky ew
1745	pack [label $ProfileFrame.1.l \
1746	-text "Phase $i (type $ptype) Damping"]\
1747	-side left
1748	}
1749	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1750	0 1 2 3 4 5 6 7 8 9
1751	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1752	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1753	pack $ProfileFrame.1.tkOptDamp -side left
1754	pack [label $ProfileFrame.1.l1 \
1755	-text " Peak cutoff"]\
1756	-side left
1757	pack [entry $ProfileFrame.1.e1 \
1758	-width 10 -textvariable entryvar(pcut_$i)]\
1759	-side left
1760	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1761	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1762
1763	set col -1
1764	set row 1
1765	set nterms [hapinfo $hist $i profterms]
1766	set lbls {}
1767	catch {set lbls $expgui(prof-$htype-$ptype)}
1768	# for type 4, add extra terms depending on the cell type
1769	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1770	for { set num 1 } { $num <= $nterms } { incr num } {
1771	set term {}
1772	catch {set term [lindex $lbls $num]}
1773	if {$term == ""} {set term $num}
1774	incr col
1775	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1776	-row $row -column $col
1777	incr col
1778	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1779	-variable entryvar(pref${num}_$i)] -row $row -column $col
1780	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1781	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1782	incr col
1783	grid [entry $ProfileFrame.ent${num}_${i} \
1784	-textvariable entryvar(pterm${num}_$i)\
1785	-width 12] -row $row -column $col
1786	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1787	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1788	if {$col > 6} {set col -1; incr row}
1789	}
1790	}
1791	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1792	} else {
1793	# get histogram list
1794	set histlist {}
1795	foreach item $expgui(curhist) {
1796	lappend histlist [lindex $expmap(powderlist) $item]
1797	}
1798	# must have at least one histogram selected here
1799	if {[llength $histlist] == 0} return
1800	# disable traces on entryvar for right now
1801	set entrycmd(trace) 0
1802	# loop through histograms & phases, set up an array by phase & profile type
1803	catch {unset prtyparray histarray phasearray}
1804	foreach hist $histlist {
1805	foreach phase $expmap(phaselist_$hist) {
1806	set prtyp [string trim [hapinfo $hist $phase proftype]]
1807	set key ${prtyp}_$phase
1808	lappend prtyparray($key) $hist
1809	lappend histarray($key) $hist
1810	lappend phasearray($key) $phase
1811	}
1812	}
1813
1814	set ptype ""
1815	set i -1
1816	# loop over all combined phases and profile types, sorted 1st by profile number
1817	foreach key [lsort [array names prtyparray]] {
1818	# split key
1819	scan $key %d_%d prftyp p
1820
1821	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1822	set ptype $prftyp
1823	set curhistlist $histarray($key)
1824	set curphaslist $phasearray($key)
1825
1826	set hist1 [lindex $curhistlist 0]
1827	set phase1 [lindex $curphaslist 0]
1828	set nterms [hapinfo $hist1 $phase1 profterms]
1829	set htype [string range $expmap(htype_$hist1) 2 2]
1830	set lbls $expgui(prof-$htype-$ptype)
1831	# for type 4, add extra terms depending on the cell type
1832	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1833	# Create a frame for this type
1834	incr i
1835	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1836	if {$expgui(haveBW)} {
1837	grid [TitleFrame $expgui(ProfileBox).f.$i \
1838	-text "Histogram [CompressList $histarray($key)] (type $ptype)" \
1839	-relief groove -bd 2] \
1840	-column 0 -row $i -sticky ew
1841	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1842	grid [frame $ProfileFrame.0] \
1843	-column 0 -row 0 -columnspan 20 -sticky ew
1844	} else {
1845	grid [frame $expgui(ProfileBox).f.$i \
1846	-relief groove -bd 4] \
1847	-column 0 -row $i -sticky ew
1848	set ProfileFrame $expgui(ProfileBox).f.$i
1849	grid [frame $ProfileFrame.0] \
1850	-column 0 -row 0 -columnspan 20 -sticky ew
1851	grid [label $ProfileFrame.0.0 \
1852	-text "Profile Type $ptype "] -row 0 -column 0
1853	}
1854	grid [label $ProfileFrame.0.1 \
1855	-anchor w] -row 0 -column 1
1856	grid [frame $ProfileFrame.1] \
1857	-column 0 -row 1 -columnspan 20 -sticky ew
1858	grid [label $ProfileFrame.1.2 \
1859	-text "Damping"] -row 0 -column 2
1860	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1861	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1862	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1863	grid [button $ProfileFrame.1.edit \
1864	-text "Global Edit"] -row 0 -column 4 -sticky w
1865	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1866	set col -1
1867	set row 2
1868	for { set num 1 } { $num <= $nterms } { incr num } {
1869	set term {}
1870	catch {set term [lindex $lbls $num]}
1871	if {$term == ""} {set term $num}
1872	incr col
1873	grid [label $ProfileFrame.l${num}_${i} \
1874	-text "$term"] -row $row -column $col
1875	incr col
1876	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1877	-variable entryvar(pref${num}_$i)] \
1878	-row $row -column $col
1879	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1880	if {$col > 10} {set col -1; incr row}
1881	}
1882	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1883	} else {
1884	# add to the current entry
1885	eval lappend curhistlist $histarray($key)
1886	eval lappend curphaslist $phasearray($key)
1887	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1888	}
1889	$ProfileFrame.0.1 config -text $boxtitle
1890	$ProfileFrame.1.edit config -command "\
1891	EditProfile \"\n$boxtitle\" \
1892	[list $curhistlist] \
1893	[list $curphaslist]"
1894	set entrycmd(pdamp_$i) "hapinfo \
1895	[list $curhistlist] \
1896	[list $curphaslist] pdamp"
1897	for { set num 1 } { $num <= $nterms } { incr num } {
1898	set entrycmd(pref${num}_$i) "hapinfo \
1899	[list $curhistlist] \
1900	[list $curphaslist] pref$num"
1901	}
1902	}
1903	}
1904
1905	# resize the scroll window to match the actual
1906	update idletasks
1907	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1908	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1909	update idletasks
1910	ResizeNotebook
1911	# enable traces on entryvar now
1912	set entrycmd(trace) 1
1913	}
1914
1915	# profile labels for type 4 profile
1916	proc type4lbls {lbls nterms phase} {
1917	if {$nterms == 14} {
1918	# cubic
1919	lappend lbls S400 S220
1920	} elseif {$nterms == 15} {
1921	# hexagonal
1922	lappend lbls S400 S004 S202
1923	} elseif {$nterms == 16} {
1924	# tetragonal or rhombohedral
1925	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1926	# rhombohedral
1927	lappend lbls S400 S220 S310 S211
1928	} else {
1929	lappend lbls S400 S004 S220 S202
1930	}
1931	} elseif {$nterms == 18} {
1932	# orthorhombic
1933	lappend lbls S400 S040 S004 S220 S202 S022
1934	} elseif {$nterms == 21} {
1935	# monoclinic
1936	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1937	} elseif {$nterms == 25} {
1938	# triclinic
1939	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1940	S130 S301 S013 S211 S121 S112
1941	}
1942	return $lbls
1943	}
1944
1945	# process the bit settings in the print options
1946	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1947	proc printsetting {bitnum "action get" "value {}"} {
1948	global entryvar expgui
1949	if {$action == "get"} {
1950	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1951	} elseif $value {
1952	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1953	} else {
1954	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1955	}
1956	expinfo print set $newval
1957	set expgui(printopt) "Print Options ([expinfo print])"
1958	}
1959
1960	# need to respond to mouse presses -- control variable associated with extract Fobs
1961	# and set the LeBail extraction flags
1962	proc SetupExtractHist {} {
1963	global expgui entrycmd entryvar expmap
1964
1965	# display the selected histograms
1966	$expgui(lsFrame).hs.lbox selection clear 0 end
1967	foreach h $expgui(curhist) {
1968	$expgui(lsFrame).hs.lbox selection set $h
1969	}
1970
1971	# get histogram list
1972	set histlist {}
1973	foreach item $expgui(curhist) {
1974	set hist [lindex $expmap(powderlist) $item]
1975	if {$hist != ""} {lappend histlist $hist}
1976	}
1977	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1978	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1979	foreach phase {1 2 3 4 5 6 7 8 9} {
1980	$expgui(FobsExtractFrame).l$phase config -fg grey
1981	set expgui(Fextract$phase) {}
1982	foreach item $expgui(ExtractSettingsRadiobuttons) {
1983	${item}$phase config -state disabled -bd 1
1984	}
1985	}
1986	} elseif {[llength $histlist] == 1} {
1987	# disable traces on entryvar
1988	set entrycmd(trace) 0
1989	set entryvar(fobsextract) [histinfo $histlist foextract]
1990	foreach phase {1 2 3 4 5 6 7 8 9} {
1991	# is the phase present?
1992	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
1993	$expgui(FobsExtractFrame).l$phase config -fg grey
1994	set expgui(Fextract$phase) {}
1995	foreach item $expgui(ExtractSettingsRadiobuttons) {
1996	${item}$phase config -state disabled -bd 1
1997	}
1998	} else {
1999	$expgui(FobsExtractFrame).l$phase config -fg black
2000	foreach item $expgui(ExtractSettingsRadiobuttons) {
2001	${item}$phase config -state normal -bd 2
2002	}
2003	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2004	}
2005	}
2006	} elseif {[llength $histlist] > 1} {
2007	# disable traces on entryvar
2008	set entrycmd(trace) 0
2009	# multiple histograms need phases in any histogram
2010	foreach phase {1 2 3 4 5 6 7 8 9} {
2011	set gotphase($phase) 0
2012	}
2013	foreach hist $histlist {
2014	foreach phase $expmap(phaselist_$hist) {
2015	set gotphase($phase) 1
2016	}
2017	}
2018	foreach phase {1 2 3 4 5 6 7 8 9} {
2019	set expgui(Fextract$phase) {}
2020	if $gotphase($phase) {
2021	$expgui(FobsExtractFrame).l$phase config -fg black
2022	foreach item $expgui(ExtractSettingsRadiobuttons) {
2023	${item}$phase config -state normal -bd 2
2024	}
2025	} else {
2026	$expgui(FobsExtractFrame).l$phase config -fg grey
2027	foreach item $expgui(ExtractSettingsRadiobuttons) {
2028	${item}$phase config -state disabled -bd 1
2029	}
2030	}
2031	}
2032	}
2033	# reenable traces
2034	set entrycmd(trace) 1
2035	}
2036	# respond to a change in the fobs extraction method for a phase
2037	# force the main extraction flag on, if fobs extraction is selected for any phase
2038	proc HistExtractSet {phase} {
2039	global expgui entryvar expmap
2040	foreach item $expgui(curhist) {
2041	lappend histlist [lindex $expmap(powderlist) $item]
2042	}
2043	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2044	incr expgui(changed)
2045	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2046	}
2047	#---------------------------- Global Edit Functions ------------------------
2048	proc editbackground {} {
2049	global expgui expmap entrycmd
2050	set histlist {}
2051	foreach n $expgui(curhist) {
2052	lappend histlist [lindex $expmap(powderlist) $n]
2053	}
2054	if {[llength $histlist] == 0} return
2055
2056	set w .back
2057	catch {destroy $w}
2058	toplevel $w -bg beige
2059	if {$expgui(globalmode) != 0} {
2060	wm title $w "Edit Background"
2061	} else {
2062	wm title $w "Global Edit Background"
2063	}
2064
2065	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2066	] -side top -expand yes -fill both
2067	if {[llength $histlist] > 1} {
2068	grid [label $w.0.a \
2069	-text "Setting background terms for histograms [CompressList $histlist]" \
2070	-bg beige] -row 0 -column 0 -columnspan 10
2071	} else {
2072	grid [label $w.0.a \
2073	-text "Setting background terms for histogram $histlist" \
2074	-bg beige] -row 0 -column 0 -columnspan 10
2075	}
2076	set hist [lindex $histlist 0]
2077	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2078
2079	# disable traces on expgui(backtype) & expgui(backterms) now
2080	set entrycmd(trace) 0
2081
2082	# number of terms
2083	set expgui(backtype) [histinfo $hist backtype]
2084	set expgui(orig_backtype) $expgui(backtype)
2085	set expgui(prev_backtype) $expgui(backtype)
2086	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2087	grid $w.0.type -row 1 -column 1
2088	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2089
2090	# function type
2091	set expgui(backterms) [histinfo $hist backterms]
2092	set expgui(orig_backterms) $expgui(backterms)
2093	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2094	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2095	grid $w.0.terms -row 1 -column 3
2096	# enable traces on expgui(backtype) & expgui(backterms) now
2097	set entrycmd(trace) 1
2098
2099	#set background terms
2100	for {set num 1 } { $num <= 36 } { incr num } {
2101	set var "bterm$num"
2102	set expgui($var) {}
2103	set expgui(orig_$var) {}
2104	}
2105	if {[llength $histlist] == 1} {
2106	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2107	set var "bterm$num"
2108	set expgui($var) [histinfo $histlist $var]
2109	set expgui(orig_$var) $expgui($var)
2110	}
2111	}
2112
2113	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2114	-expand yes -fill both
2115	ShowBackTerms $w.1
2116
2117	set expgui(temp) {}
2118	pack [frame $w.b] -side top
2119	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2120	pack [button $w.b.3 -text Quit \
2121	-command "QuitEditBackground $w"] -side left
2122	bind $w <Return> "destroy $w"
2123
2124	# force the window to stay on top
2125	putontop $w
2126
2127	focus $w.b.2
2128	tkwait window $w
2129	afterputontop
2130
2131	if {$expgui(temp) != ""} return
2132
2133	if {$expgui(orig_backtype) != $expgui(backtype)} {
2134	histinfo $histlist backtype set $expgui(backtype)
2135	incr expgui(changed)
2136	}
2137	if {$expgui(orig_backterms) != $expgui(backterms)} {
2138	histinfo $histlist backterms set $expgui(backterms)
2139	incr expgui(changed)
2140	}
2141	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2142	set var "bterm$num"
2143	if {$expgui(orig_$var) != $expgui($var)} {
2144	histinfo $histlist $var set $expgui($var)
2145	incr expgui(changed)
2146	}
2147	}
2148
2149	if {$expgui(globalmode) == 0} {
2150	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2151	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2152	}
2153	}
2154
2155	trace variable expgui(backterms) w ChangeBackTerms
2156	proc ChangeBackTerms {a b c} {
2157	global entrycmd expgui
2158	if !$entrycmd(trace) return
2159	ShowBackTerms .back.1
2160	}
2161
2162	trace variable expgui(backtype) w ChangeBackType
2163	# reset the terms to 1, 0, 0... when the number of terms increase
2164	proc ChangeBackType {a b c} {
2165	global entrycmd expgui
2166	if !$entrycmd(trace) return
2167	if {$expgui(prev_backtype) == $expgui(backtype)} return
2168	set expgui(prev_backtype) $expgui(backtype)
2169	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2170	set var "bterm$num"
2171	if {$num == 1} {
2172	set expgui($var) 1.0
2173	} else {
2174	set expgui($var) 0.0
2175	}
2176	}
2177	}
2178
2179	proc ShowBackTerms {w } {
2180	global expgui expmap
2181	# destroy the contents of the frame
2182	eval destroy [grid slaves $w]
2183	set histlist {}
2184	foreach n $expgui(curhist) {
2185	lappend histlist [lindex $expmap(powderlist) $n]
2186	}
2187	set widgetsPerRow 4
2188	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2189	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2190	set var "bterm$num"
2191	grid [label $w.l$num -text $num -bg beige] \
2192	-row $rows -column $cols -sticky nes
2193	incr cols
2194	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2195	] -row $rows -column $cols -sticky news
2196	incr cols
2197	}
2198	}
2199	}
2200
2201	proc QuitEditBackground {w} {
2202	global expgui
2203	# lets find out if anything changed
2204	set changed 0
2205	if {$expgui(orig_backtype) != $expgui(backtype)} {
2206	set changed 1
2207	}
2208	if {$expgui(orig_backterms) != $expgui(backterms)} {
2209	set changed 1
2210	}
2211	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2212	set var "bterm$num"
2213	if {$expgui(orig_$var) != $expgui($var)} {
2214	set changed 1
2215	break
2216	}
2217	}
2218	if $changed {
2219	set decision [tk_dialog .changes "Abandon Changes" \
2220	"You have made changes to the background. Ok to abandon changes?" \
2221	warning 0 Abandon Keep]
2222	if !$decision {
2223	set expgui(temp) "Quit"
2224	destroy $w
2225	}
2226	} else {
2227	set expgui(temp) "Quit"
2228	destroy $w
2229	}
2230	}
2231
2232	# this probably needs work
2233	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2234	global expgui expmap
2235	set w .global
2236	catch {destroy $w}
2237	toplevel $w -bg beige
2238	wm title $w "Edit Global Parameter"
2239	set expgui(temp) {}
2240	if {[llength $histlist] == 0} {
2241	set hist {}
2242	foreach n $expgui(curhist) {
2243	lappend hist [lindex $expmap(powderlist) $n]
2244	}
2245	} else {
2246	set hist $histlist
2247	}
2248	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2249	-side top -expand yes -fill both
2250	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2251	-bg beige] \
2252	-row 0 -column 0 -columnspan 10
2253	grid [entry $w.0.b -textvariable expgui(temp)] \
2254	-row 1 -column 0
2255
2256
2257	pack [frame $w.b] -side top
2258	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2259	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2260	bind $w <Return> "destroy $w"
2261
2262	# force the window to stay on top
2263	putontop $w
2264	focus $w.b.2
2265	tkwait window $w
2266	afterputontop
2267
2268	if {$expgui(temp) != ""} {
2269	foreach h $hist {
2270	if {$cmd == "histinfo"} {
2271	histinfo $h $variable set $expgui(temp)
2272	incr expgui(changed)
2273	if $expgui(debug) {
2274	puts "histinfo $h $variable set $expgui(temp)"
2275	}
2276	} elseif {$cmd == "hapinfo"} {
2277	hapinfo $h $phase $variable set $expgui(temp)
2278	incr expgui(changed)
2279	if $expgui(debug) {
2280	puts "hapinfo $phase $h $variable set $expgui(temp)"
2281	}
2282	} else {
2283	error "$cmd unimplemented"
2284	}
2285	}
2286	}
2287	}
2288
2289	proc EditProfile {title histlist phaselist} {
2290	global expgui expmap entrycmd
2291	set w .back
2292	catch {destroy $w}
2293	toplevel $w -bg beige
2294	wm title $w "Global Edit Profile"
2295	set hist [lindex $histlist 0]
2296	set phase [lindex $phaselist 0]
2297	set ptype [string trim [hapinfo $hist $phase proftype]]
2298	set htype [string range $expmap(htype_$hist) 2 2]
2299	set nterms [hapinfo $hist $phase profterms]
2300
2301	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2302	] -side top -expand yes -fill both
2303	grid [label $w.0.a \
2304	-text "Setting profile terms: $title" \
2305	-bg beige] -row 0 -column 0 -columnspan 10
2306	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2307
2308	# number of terms
2309	# set expgui(backtype) [histinfo $hist backtype]
2310	# set expgui(orig_backtype) $expgui(backtype)
2311	# set expgui(prev_backtype) $expgui(backtype)
2312	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2313	# grid $w.0.type -row 1 -column 1
2314
2315	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2316	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2317	set entrylist {}
2318	lappend entrylist "pcut $w.0.d"
2319
2320	set col -1
2321	set row 1
2322	set lbls $expgui(prof-$htype-$ptype)
2323	# for type 4, add extra terms depending on the cell type
2324	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2325	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2326	] -side top -expand yes -fill both
2327	for { set num 1 } { $num <= $nterms } { incr num } {
2328	set term {}
2329	catch {set term [lindex $lbls $num]}
2330	if {$term == ""} {set term $num}
2331	incr col
2332	grid [label $w.1.l${num} -text "$term" -bg beige] \
2333	-row $row -column $col
2334	incr col
2335	grid [entry $w.1.ent${num} \
2336	-width 14] -row $row -column $col
2337	lappend entrylist "pterm$num $w.1.ent${num}"
2338	if {$col > 6} {set col -1; incr row}
2339	}
2340	pack [frame $w.b] -side top
2341	pack [button $w.b.2 -text Set \
2342	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2343	[list $histlist] $w"] -side left
2344	pack [button $w.b.3 -text Quit \
2345	-command "QuitEditProfile $w [list $entrylist]"] -side left
2346	bind $w <Return> "destroy $w"
2347
2348	# force the window to stay on top
2349	putontop $w
2350	focus $w.b.2
2351	tkwait window $w
2352	afterputontop
2353	}
2354
2355	proc SetEditProfile {entrylist phaselist histlist w} {
2356	global expgui
2357	foreach item $entrylist {
2358	set value [ [lindex $item 1] get ]
2359	if {$value != ""} {
2360	hapinfo $histlist $phaselist [lindex $item 0] set $value
2361	incr expgui(changed)
2362	if $expgui(debug) {
2363	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2364	}
2365	}
2366	}
2367	destroy $w
2368	}
2369
2370	proc QuitEditProfile {w entrylist} {
2371	global expgui
2372	# lets find out if anything changed
2373	set changed 0
2374	foreach item $entrylist {
2375	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2376	}
2377	if $changed {
2378	set decision [tk_dialog .changes "Abandon Changes" \
2379	"You have made changes to the Profile. Ok to abandon changes?" \
2380	warning 0 Abandon Keep]
2381	if !$decision {destroy $w}
2382	} else {
2383	destroy $w
2384	}
2385	}
2386
2387	##############################################################################
2388	## #############################################
2389	## END OF THE PROCEDURES SECTION #############################################
2390	## #############################################
2391	##############################################################################
2392
2393	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2394	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2395	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2396	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2397	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2398	# A frame for menu items at top of display
2399	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2400	# Pack the menu frame.
2401	pack $expgui(fm) -fill x -side top -anchor n
2402
2403	# create a button bar
2404	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2405
2406	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2407	# & LS controls
2408	if $expgui(haveBW) {
2409	pack [NoteBook .n -bd 2] -expand yes -fill both
2410	set expgui(lsFrame) [\
2411	.n insert end lsFrame -text "LS Controls" \
2412	-raisecmd "set expgui(pagenow) lsFrame; SetupExtractHist"]
2413	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2414	set expgui(phaseFrame) [\
2415	.n insert end phasePane -text "Phase" \
2416	-raisecmd "set expgui(pagenow) phaseFrame; \
2417	DisplayAllAtoms noreset"]
2418	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2419	set expgui(histFrame) [\
2420	.n insert end histPane -text "Histogram" \
2421	-raisecmd "set expgui(pagenow) histFrame; DisplayHistogram" \
2422	-createcmd MakeHistPane]
2423	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2424	lappend expgui(GlobalModeAllDisable) "histFrame {.n itemconfigure histPane}"
2425	set expgui(fracFrame) [\
2426	.n insert end fracPane -text "Scaling" \
2427	-raisecmd "set expgui(pagenow) fracFrame; DisplayFrac" \
2428	-createcmd MakeScalingPane]
2429	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2430	set expgui(profFrame) [\
2431	.n insert end profPane -text Profile \
2432	-raisecmd "set expgui(pagenow) profFrame; DisplayProfile"\
2433	-createcmd MakeProfilePane]
2434	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2435	lappend expgui(GlobalModeAllDisable) "profFrame {.n itemconfigure profPane}"
2436	} else {
2437	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2438	pack .n -anchor w -fill both -expand yes
2439	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame} \
2440	page {"LS Controls" Phase Histogram Scaling Profile } {
2441	set expgui($item) [Notebook:frame .n $item]
2442	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2443	}
2444	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2445	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2446	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2447	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2448	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2449	set expgui(GlobalModeAllDisable) {}
2450	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2451	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2452	}
2453
2454	# this is used to bring up the selected frame
2455	proc RaisePage {nextpage} {
2456	global expgui
2457	if $expgui(haveBW) {
2458	.n see $nextpage
2459	.n raise $nextpage
2460	set expgui(pagenow) $nextpage
2461	} else {
2462	Notebook:raise .n $nextpage
2463	InitPage $nextpage
2464	}
2465	}
2466	# this is only called when BWidget is not in use
2467	proc InitPage {nextpage} {
2468	global expgui
2469	set expgui(pagenow) $nextpage
2470	foreach set $expgui(frameactionlist) {
2471	# don't worry about errors
2472	catch {
2473	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2474	}
2475	}
2476	}
2477	# resize the notebook to fit all the tabs and the largest page
2478	proc ResizeNotebook {} {
2479	global expgui
2480	if {$expgui(haveBW)} {
2481	.n compute_size
2482	} else {
2483	Notebook:resize .n
2484	}
2485	}
2486
2487	#----------------------------------------------------------------------------
2488	proc MakePhasePane {} {
2489	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2490	global expgui
2491	frame $expgui(phaseFrame).top
2492	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2493	# This is a big frame in the Phase notebook pane to hold atomic data.
2494	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2495	-relief raised -borderwidth 4 -bg beige]
2496	# This is a frame just below the big frame: for edits
2497	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2498	-relief raised -borderwidth 4 -bg beige]
2499
2500	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2501	grid $frameLatt -sticky news -row 2 -column 0
2502	grid $fbig -sticky news -row 3 -column 0
2503	# give extra space to the atoms box
2504	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2505	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2506	grid $frame3 -sticky news -row 4 -column 0
2507	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2508	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2509	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2510	# this is where the buttons will go
2511	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2512
2513	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2514	-fg blue ] -column 1 -row 0 -sticky e
2515	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2516	-fg blue -width 45] -column 2 -row 0 -sticky e
2517	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2518	# ------------- Lattice Parameter Box ------------------
2519	set row 0
2520	foreach col {2 4 6} var {a b c} lbl {a b c} {
2521	grid [label $frameLatt.l$var -text $lbl] \
2522	-column $col -row $row -padx 5 -sticky e
2523	incr col
2524	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2525	-column $col -row $row -padx 5
2526	}
2527	incr row
2528	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2529	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2530	-column $col -row $row -padx 5 -sticky e
2531	incr col
2532	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2533	-column $col -row $row -padx 5
2534	}
2535
2536	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2537	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2538	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2539	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2540	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2541	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2542	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2543	-column 1 -row 0 -rowspan 2
2544	if [file executable $expgui(exptool)] {
2545	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2546	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2547	}
2548	grid columnconfig $frameLatt 1 -weight 1
2549	grid columnconfig $frameLatt 0 -weight 1
2550	#-------------- Begin Atom Coordinates Box ------------------------------
2551	grid [listbox $fbig.title -height 1 -relief flat] \
2552	-row 0 -column 0 -sticky ew
2553	set expgui(atomtitle) $fbig.title
2554	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2555	grid [listbox $fbig.lbox -height 10 \
2556	-xscrollcommand " $fbig.bscr set"\
2557	-yscrollcommand " $fbig.rscr set"\
2558	] -row 1 -column 0 -sticky news
2559	set expgui(atomlistbox) $fbig.lbox
2560	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2561	grid [scrollbar $fbig.bscr -orient horizontal \
2562	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2563	] -row 2 -column 0 -sticky ew
2564	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2565	] -row 1 -column 1 -sticky ns
2566	# give extra space to the atoms box
2567	grid columnconfigure $fbig 0 -weight 1
2568	grid rowconfigure $fbig 1 -weight 1
2569
2570	# BIND mouse in editbox
2571	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2572	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2573
2574	#-------------- End Atoms Section ---------------------------------
2575
2576	# --------------------------- Begin Edit Box ------------------------
2577	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2578	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2579	if [file executable $expgui(exptool)] {
2580	button $frame3.newa -text "Add New Atom" \
2581	-command {MakeAddAtomsBox $expgui(curPhase)}
2582	grid $frame3.newa -column 11 -row 0
2583	}
2584
2585	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2586	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2587
2588	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2589	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2590	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2591	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2592	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2593	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2594
2595	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2596	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2597
2598	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2599	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2600	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2601	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2602	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2603	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2604	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2605	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2606	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2607
2608	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2609	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2610
2611	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2612	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2613
2614	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2615	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2616	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2617	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2618	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2619	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2620	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2621	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2622	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2623	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2624
2625	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2626	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2627	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2628	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2629	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2630	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2631	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2632	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2633
2634	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2635	grid $f3f31 -column 0 -row 7 -columnspan 12
2636	set expgui(anisolabels) {}
2637	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2638	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2639	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2640	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2641	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2642	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2643
2644	set expgui(anisoentry) {}
2645	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2646	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2647	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2648	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2649	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2650	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2651
2652	set col 0
2653	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2654	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2655	incr col
2656	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2657	incr col
2658	}
2659	# --------------------------- End Edit Box -------------------------
2660
2661	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2662	# resize in case the pane needs more space
2663	ResizeNotebook
2664	}
2665
2666	proc move2boxes {boxlist args} {
2667	foreach listbox $boxlist {
2668	eval $listbox xview $args
2669	}
2670	}
2671	# make the phase pane
2672	MakePhasePane
2673	#-----------------------------------------------------------------------------
2674	proc MakeHistPane {} {
2675	#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
2676	global expgui
2677	grid [frame $expgui(histFrame).hs] \
2678	-column 0 -row 0 -rowspan 10 -sticky nsew
2679	grid columnconfigure $expgui(histFrame) 0 -weight 1
2680	grid rowconfigure $expgui(histFrame) 1 -weight 1
2681	grid rowconfigure $expgui(histFrame) 2 -weight 1
2682	grid rowconfigure $expgui(histFrame) 3 -weight 1
2683	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2684	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2685	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2686	-font $expgui(histfont) \
2687	-xscrollcommand "$expgui(histFrame).hs.x set" \
2688	-yscrollcommand "$expgui(histFrame).hs.y set" \
2689	] -row 1 -column 0 -sticky news
2690	lappend expgui(HistSelectList) $expgui(histFrame).hs
2691	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2692	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2693	] -row 2 -column 0 -sticky ew
2694	grid [scrollbar $expgui(histFrame).hs.y \
2695	-command "$expgui(histFrame).hs.lbox yview"] \
2696	-row 1 -column 1 -sticky ns
2697	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2698	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2699	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2700	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2701	DisplayHistogram
2702	}
2703	bind $expgui(histFrame).hs.lbox <Button-3> {
2704	if $expgui(globalmode) {
2705	$expgui(histFrame).hs.lbox selection set 0 end
2706	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2707	DisplayHistogram
2708	}
2709	}
2710
2711	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2712	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2713	if $expgui(haveBW) {
2714	foreach item {backBox diffBox} num {2 3} \
2715	title {Background "Diffractometer Constants"} {
2716	TitleFrame $expgui(histFrame).$item \
2717	-borderwidth 4 -side left -relief groove -text $title
2718	set expgui($item) [$expgui(histFrame).$item getframe]
2719	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2720	grid rowconfigure $expgui(histFrame) $num -minsize 100
2721	}
2722	} else {
2723	foreach item {backBox diffBox} num {1 2} \
2724	title {Background "Diffractometer Constants"} {
2725	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2726	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2727	set expgui($item) $expgui(histFrame).$item
2728	grid [label $expgui(histFrame).$item.title -text $title] \
2729	-row 0 -column 0 -columnspan 10 -sticky nw
2730	}
2731	}
2732	if [file executable $expgui(exptool)] {
2733	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2734	grid $expgui(histFrame).newh -column 1 -row 6
2735	}
2736
2737	# BACKGROUND information.
2738	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2739	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2740	grid [label $expgui(backBox).frm1.lBGType \
2741	-textvariable expgui(backtypelbl)] \
2742	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2743	grid [label $expgui(backBox).frm1.lBGTerms \
2744	-textvariable expgui(backtermlbl)] \
2745	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2746	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2747	-command editbackground] \
2748	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2749	grid [frame $expgui(backBox).frm2 ] \
2750	-row 1 -column 0 -columnspan 11 -sticky e
2751	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2752	-row 2 -column 1 -sticky news -padx 4 -pady 3
2753	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2754	-variable entryvar(bref) ] \
2755	-row 2 -column 2 -sticky news -padx 4 -pady 3
2756	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2757	-row 2 -column 3 -sticky w -padx 2 -pady 3
2758	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2759	grid $expgui(backBox).frm2.om \
2760	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2761	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2762	# insert the histograms & resize in case the pane needs more space
2763	sethistlist
2764	ResizeNotebook
2765	}
2766	###############################################################################
2767	proc MakeScalingPane {} {
2768	#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
2769	global expgui
2770	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2771	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2772	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2773	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2774	-font $expgui(histfont) \
2775	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2776	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2777	] -row 1 -column 0 -sticky news
2778	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2779	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2780	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2781	] -row 2 -column 0 -sticky ew
2782	grid [scrollbar $expgui(fracFrame).hs.y \
2783	-command "$expgui(fracFrame).hs.lbox yview"] \
2784	-row 1 -column 1 -sticky ns
2785	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2786	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2787	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2788	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2789	DisplayFrac
2790	}
2791	bind $expgui(fracFrame).hs.lbox <Button-3> {
2792	if $expgui(globalmode) {
2793	$expgui(fracFrame).hs.lbox selection set 0 end
2794	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2795	DisplayFrac
2796	}
2797	}
2798	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2799	# Create a large canvas area containing a frame for each phase in the data set.
2800	# The canvas and vertical scrollbar are inside a frame called f1
2801	if $expgui(haveBW) {
2802	TitleFrame $expgui(fracFrame).f1.scaleBox \
2803	-borderwidth 4 -text "Scale Factor"
2804	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2805	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2806	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2807	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2808	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2809	} else {
2810	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2811	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2812	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2813	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2814	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2815	}
2816	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2817	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2818	button $expgui(scaleBox).but1 -text "Set Globally" \
2819	-command "editglobalparm histinfo scale {Scale Factor}"
2820
2821	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2822	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2823	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2824	-row 1 -column 3 -sticky news -padx 4 -pady 3
2825	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2826	-row 1 -column 4 -sticky w -padx 2 -pady 3
2827	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2828	grid $expgui(scaleBox).om \
2829	-row 1 -column 5 -sticky news -padx 4 -pady 3
2830	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2831
2832	if $expgui(haveBW) {
2833	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2834	-text "Phase Fractions" -relief groove] \
2835	-sticky news -row 1 -column 0 -columnspan 2
2836	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2837	} else {
2838	set PhaseFractBox $expgui(fracFrame).f1
2839	}
2840	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2841	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2842
2843	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2844	-scrollregion {0 0 5000 500} \
2845	-yscrollcommand "$PhaseFractBox.yscroll set" \
2846	-width 500 -height 350 -bg lightgrey]] \
2847	-sticky news -row 1 -column 0
2848	grid [scrollbar $PhaseFractBox.yscroll \
2849	-command "$expgui(FracBox) yview" \
2850	-orient vertical] \
2851	-sticky ns -row 1 -column 1
2852	frame $expgui(FracBox).f -bd 0
2853	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2854
2855	# the rest of the page is created in DisplayFrac
2856
2857	# insert the histograms & resize in case the pane needs more space
2858	sethistlist
2859	ResizeNotebook
2860	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2861	}
2862	###############################################################################
2863	proc MakeProfilePane {} {
2864	global expgui
2865	# 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
2866	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2867	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2868	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2869	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2870	-font $expgui(histfont) \
2871	-xscrollcommand "$expgui(profFrame).hs.x set" \
2872	-yscrollcommand "$expgui(profFrame).hs.y set" \
2873	] -row 1 -column 0 -sticky news
2874	lappend expgui(HistSelectList) $expgui(profFrame).hs
2875	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2876	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2877	] -row 2 -column 0 -sticky ew
2878	grid [scrollbar $expgui(profFrame).hs.y \
2879	-command "$expgui(profFrame).hs.lbox yview"] \
2880	-row 1 -column 1 -sticky ns
2881	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2882	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2883	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2884	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2885	DisplayProfile
2886	}
2887	bind $expgui(profFrame).hs.lbox <Button-3> {
2888	if $expgui(globalmode) {
2889	$expgui(profFrame).hs.lbox selection set 0 end
2890	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2891	DisplayProfile
2892	}
2893	}
2894
2895	# Create a large canvas area containing a frame for each phase in the data set.
2896	# The canvas and vertical scrollbar are inside a frame called f1
2897	pack [frame $expgui(profFrame).f1] -fill both -expand true
2898	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2899	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2900	-sticky news -row 0 -column 0
2901	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2902	-sticky ns -row 0 -column 1
2903
2904	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2905	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2906
2907	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2908	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2909	frame $expgui(ProfileBox).f -bd 0
2910	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2911
2912	# insert the histograms & resize in case the pane needs more space
2913	sethistlist
2914	ResizeNotebook
2915	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2916	}
2917
2918	##############################################################################
2919	# 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
2920	array set printopts {
2921	0 "Print the reciprocal metric tensor changes"
2922	1 "Print the correlation matrix"
2923	2 "Print the Least-Squares matrices and vectors"
2924	4 "Print the linear constraint matrices"
2925	5 "Print the applied shifts and shift factors"
2926	6 "Print the reciprocal metric tensor Var-Covar terms"
2927	7 "Print all parameters for each cycle"
2928	8 "Print summary shift/esd data after last cycle"
2929	9 "Print zero/unit pole figure constraint terms"
2930	}
2931	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2932	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2933	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2934	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2935	-font $expgui(histfont) \
2936	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2937	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2938	] -row 1 -column 0 -sticky news
2939	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2940	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2941	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2942	] -row 2 -column 0 -sticky ew
2943	grid [scrollbar $expgui(lsFrame).hs.y \
2944	-command "$expgui(lsFrame).hs.lbox yview"] \
2945	-row 1 -column 1 -sticky ns
2946	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2947	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2948	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2949	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2950	SetupExtractHist
2951	}
2952	bind $expgui(lsFrame).hs.lbox <Button-3> {
2953	if $expgui(globalmode) {
2954	$expgui(lsFrame).hs.lbox selection set 0 end
2955	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2956	SetupExtractHist
2957	}
2958	}
2959
2960	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2961	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2962	set row 0
2963	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
2964	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
2965	-textvariable expgui(last_History)] \
2966	-row $row -column 1 -columnspan 5 -sticky w
2967	incr row
2968	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
2969	grid [entry $expgui(lsFrame).f1.tit2 \
2970	-textvariable entryvar(title) -width 48] \
2971	-row $row -column 1 -columnspan 5 -sticky w
2972	set entrycmd(title) "expinfo title"
2973
2974	incr row
2975	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
2976	-row $row -column 0 -columnspan 2 -pady 3
2977	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
2978	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
2979	-textvariable entryvar(cycles)] -row 0 -column 1
2980	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
2981	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
2982	] -row $row -column 2
2983	menu $expgui(lsFrame).f1.lprint.menu
2984	foreach num [lsort [array names printopts]] {
2985	$expgui(lsFrame).f1.lprint.menu add checkbutton \
2986	-label "$printopts($num) ([expr int(pow(2,$num))])"\
2987	-variable entryvar(printopt$num)
2988	}
2989	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
2990	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
2991	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
2992	incr row
2993	if {$expgui(haveBW)} {
2994	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
2995	-text "Reflection Intensity Extraction" \
2996	] -row $row -column 0 -columnspan 6
2997	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
2998	} else {
2999	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3000	] -row $row -column 0 -columnspan 6
3001	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3002	}
3003	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3004	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3005	-row 0 -column 8 -columnspan 3 -sticky e
3006	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3007	-row 0 -column 2
3008	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3009	-variable entryvar(fobsextract)] -row 0 -column 3
3010	foreach num {1 2 3 4 5 6 7 8 9} {
3011	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3012	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3013	-command "HistExtractSet $num" \
3014	-variable expgui(Fextract$num) -value 0] \
3015	-row 2 -column $num
3016	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3017	-command "HistExtractSet $num" \
3018	-variable expgui(Fextract$num) -value 1] \
3019	-row 3 -column $num
3020	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3021	-command "HistExtractSet $num" \
3022	-variable expgui(Fextract$num) -value 2] \
3023	-row 4 -column $num
3024	}
3025	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3026	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3027	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3028
3029	grid [label $expgui(FobsExtractFrame).t \
3030	-text "Extraction\nMethod" -anchor c] \
3031	-column 0 -row 0 -rowspan 2 -sticky s
3032	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3033	-column 1 -row 0 -columnspan 7 -sticky sw
3034	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3035	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3036	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3037	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3038	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3039	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3040	#-------------------------------------------------------------------------
3041	#-------------------------------------------------------------------------
3042	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3043
3044	#---- file menu button
3045	menubutton $expgui(fm).file -text File -underline 0 -menu $expgui(fm).file.menu
3046	menu $expgui(fm).file.menu
3047	if $expgui(debug) {
3048	$expgui(fm).file.menu add command -label "Reset" -underline 0 \
3049	-command "reset"
3050	}
3051	$expgui(fm).file.menu add command -label "expnam" -underline 0 \
3052	-command readnewexp
3053	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3054	-command savearchiveexp
3055	$expgui(fm).file.menu add command -label "Save As" -underline 1 \
3056	-command "SaveAsFile"
3057	$expgui(fm).file.menu add command -label "Reread .EXP file" -underline 0 \
3058	-command {rereadexp $expgui(expfile)}
3059	#$expgui(fm).file.menu add command -label "Close" -underline 0
3060
3061	#---- help menu button
3062	menubutton $expgui(fm).help -text Help -underline 0 -menu $expgui(fm).help.menu
3063	menu $expgui(fm).help.menu
3064	$expgui(fm).help.menu add command -command showhelp -label "Help on Command"
3065	$expgui(fm).help.menu add command -label "About..." -underline 0 -command About
3066
3067	#---- options menu button
3068	menubutton $expgui(fm).option -text Options -underline 0 \
3069	-menu $expgui(fm).option.menu
3070	menu $expgui(fm).option.menu
3071
3072	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3073	-variable expgui(archive) -underline 0
3074
3075	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3076	-label "Sort atoms by"
3077
3078	set expgui(asorttype) number
3079	menu $expgui(fm).option.menu.asort
3080	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3081	-label number -value number -variable expgui(asorttype)
3082	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3083	-label type -value type -variable expgui(asorttype)
3084	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3085	-label x -value x -variable expgui(asorttype)
3086	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3087	-label y -value y -variable expgui(asorttype)
3088	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3089	-label z -value z -variable expgui(asorttype)
3090
3091
3092	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3093	-label "Sort histograms by"
3094
3095	set expgui(hsorttype) number
3096	menu $expgui(fm).option.menu.hsort
3097	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3098	-label number -value number -variable expgui(hsorttype)
3099	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3100	-label "Histogram type" -value type -variable expgui(hsorttype)
3101	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3102	-label "Bank #" -value bank -variable expgui(hsorttype)
3103	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3104	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3105
3106	#---- Global mode menu button
3107	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3108	-label "Multiple hist. selection"
3109	menu $expgui(fm).option.menu.editmode
3110	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3111	-variable expgui(globalmode) -underline 0 -value 0\
3112	-command sethistlist
3113	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3114	-variable expgui(globalmode) -underline 0 -value 6 \
3115	-command sethistlist
3116	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3117	-variable expgui(globalmode) -underline 0 -value 1 \
3118	-command sethistlist
3119	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3120	-variable expgui(globalmode) -underline 0 -value 2 \
3121	-command sethistlist
3122	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3123	-variable expgui(globalmode) -underline 0 -value 3 \
3124	-command sethistlist
3125	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3126	-variable expgui(globalmode) -underline 0 -value 4 \
3127	-command sethistlist
3128	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3129	-variable expgui(globalmode) -underline 0 -value 5 \
3130	-command sethistlist
3131	$expgui(fm).option.menu.editmode add separator
3132	$expgui(fm).option.menu.editmode add checkbutton \
3133	-label "Group phases together" \
3134	-variable expgui(globalphasemode) \
3135	-command sethistlist
3136
3137	set expgui(globalmode) 0
3138	set expgui(globalphasemode) 1
3139
3140	if {$tcl_platform(platform) != "windows"} {
3141	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3142	-variable env(GSASBACKSPACE)
3143	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3144	-variable expgui(autoexpload)
3145	}
3146
3147	$expgui(fm).option.menu add command -label "Save Options" -underline 1 \
3148	-command "SaveOptions"
3149
3150	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3151
3152	foreach menu $expgui(menunames) {
3153	set m [string tolower $menu]
3154	pack [menubutton $expgui(fm).$m -text $menu -underline 0 \
3155	-menu $expgui(fm).$m.menu] -side left
3156	menu $expgui(fm).$m.menu
3157	}
3158	pack $expgui(fm).help -side right -in $expgui(fm)
3159
3160	# add the commands in expgui_menulist
3161	foreach menu [array names expgui_menulist ] {
3162	foreach cmd $expgui_menulist($menu) {
3163	set action {}
3164	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3165	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3166	if {$action != "" && $action != "-"} {
3167	eval $expgui(fm).$menu.menu add command \
3168	-label $cmd -command [list [subst $action]]
3169	}
3170	}
3171	}
3172	# setup command help
3173	foreach cmd [array names expgui_cmdlist] {
3174	set help {}
3175	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3176	if {$help == ""} {
3177	if {$expgui(debug)} {puts "no help for $cmd"}
3178	} else {
3179	# remove
3180	regsub -all \x09 $help " " help
3181	# preserve blank lines
3182	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3183	regsub -all \x0A $help " " help
3184	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3185	regsub -all " +" $help " " help
3186	set expgui_helplist($cmd) [string trim $help]
3187	}
3188	}
3189	# set up button bar
3190	foreach cmd $expgui(buttonlist) {
3191	set action {}
3192	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3193	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3194	if {$action != ""} {
3195	pack [eval button .bar.$cmd -bg beige \
3196	-text $cmd -command [list [subst $action]]] -side left
3197	}
3198	}
3199
3200	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3201	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3202
3203
3204	# handle indirect exits
3205	wm protocol . WM_DELETE_WINDOW catchQuit
3206	bind . <Control-c> catchQuit
3207
3208	set expgui(curPhase) ""
3209	set expgui(pagenow) ""
3210	set expgui(curhist) {}
3211	set expgui(selectedatomlist) {}
3212
3213	loadexp $expgui(expfile)
3214
3215	# select the 1st phase
3216	SelectOnePhase [lindex $expmap(phaselist) 0]
3217	# select the first histogram in the list by default (if there are any)
3218	if {[llength $expmap(histlistboxcontents)] > 0} {
3219	set expgui(curhist) 0
3220	} else {
3221	set expgui(curhist) {}
3222	}
3223
3224	# execute any local commands for final initialization
3225	eval $expgui(initstring)
3226
3227	# resize the notebook to fit all the tabs and the largest page
3228	ResizeNotebook
3229
3230	RaisePage lsFrame
3231	if {[CountHistory] > 100} {
3232	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3233	}

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