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source: trunk/expgui @ 199

Last change on this file since 199 was 199, checked in by toby, 14 years ago
# on 2000/06/09 03:45:28, toby did: Change Reload msg as per suggestions add MD pref orientation pane fix bug in non-BWidget implementation make CompressList? survive use of strings use -exportselection 0 for listboxes to avoid cut/paste conflicts
Property rcs:author set to `toby` Property rcs:date set to `2000/06/09 03:45:28` Property rcs:lines set to `+51 -19` Property rcs:rev set to `1.27` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 117.3 KB

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1	#!/usr/local/bin/wish
2	# $Id: expgui 199 2009-12-04 23:02:03Z toby $
3	set expgui(Revision) {$Revision: 199 $ $Date: 2009-12-04 23:02:03 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	} else {
43	set expgui(expfile) {}
44	}
45
46	set expgui(curhist) {}
47	set expmap(powderlist) {}
48
49	set expgui(debug) 0
50	catch {if $env(DEBUG) {set expgui(debug) 1}}
51	#set expgui(debug) 1
52
53	# default for archive mode = on
54	set expgui(archive) 1
55	# default for autoexec load = off
56	set expgui(autoexpload) 0
57	# save the name of the wish executable
58	set wishshell [info nameofexecutable]
59	# misc constants
60	set txtvw(font) "Courier"
61	set expgui(coordfont) "--courier-bold-r-normal--12-"
62	set expgui(histfont) "--courier-bold-r-normal--12-"
63	set liveplot(hst) 1
64	set liveplot(legend) 1
65	set expgui(filesort) 1
66	set expgui(initstring) {}
67	# use a separate window for DISAGL (default)
68	set expgui(disaglSeparateBox) 1
69	#=============================================================================
70	# Store names of profile terms.
71	array set expgui {
72	prof-T-1 {TOF-type1 alp-0 bet-0 sig-0 alp-1 bet-1 sig-1 rstr rsta \
73	sig-2 rsca s1ec s2ec }
74	prof-T-2 {TOF-type2 alp-0 sig-0 gam-0 alp-1 sig-1 gam-1 beta sig-2 \
75	gam-2 switch ptec stec difc difa zero }
76	prof-T-3 {TOF-type3 alp bet-0 bet-1 sig-0 sig-1 sig-2 gam-0 gam-1 \
77	gam-2 gsf g1ec g2ec rstr rsta rsca L11 L22 L33 L12 L13 L23 }
78	prof-T-4 {TOF-type4 alp bet-0 bet-1 sig-1 sig-2 gam-2 g2ec gsf \
79	rstr rsta rsca eta}
80	prof-C-1 {CW-type U V W asym F1 F2 }
81	prof-C-2 {CW-type2 GU GV GW LX LY trns asym shft GP stec ptec sfec \
82	L11 L22 L33 L12 L13 L23 }
83	prof-C-3 {CW-type3 GU GV GW GP LX LY S/L H/L trns shft stec ptec sfec \
84	L11 L22 L33 L12 L13 L23 }
85	prof-C-4 {CW-type4 GU GV GW GP LX ptec trns shft sfec S/L H/L eta}
86	}
87	# >>>>>>>>>>>>>>>> End of Profile Terms >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
88	#----------------------------------------------------------------
89	# where are we?
90	set expgui(script) [info script]
91	# translate links -- go six levels deep
92	foreach i {1 2 3 4 5 6} {
93	if {[file type $expgui(script)] == "link"} {
94	set link [file readlink $expgui(script)]
95	if { [file pathtype $link] == "absolute" } {
96	set expgui(script) $link
97	} {
98	set expgui(script) [file dirname $expgui(script)]/$link
99	}
100	} else {
101	break
102	}
103	}
104	# fixup relative paths
105	if {[file pathtype $expgui(script)] == "relative"} {
106	set expgui(script) [file join [pwd] $expgui(script)]
107	}
108	set expgui(scriptdir) [file dirname $expgui(script) ]
109	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
110	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
111	#----------------------------------------------------------------
112	lappend auto_path $expgui(scriptdir)
113	set expgui(havetix) 0
114	set expgui(haveBW) 1
115	# for debugging non-BWidget version set environment variable NOBWIDGET
116	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
117	if $expgui(haveBW) {
118	if [catch {package require BWidget}] {set expgui(haveBW) 0}
119	}
120	# get the notebook widget if not using BWidgets
121	if {!$expgui(haveBW)} {source $expgui(scriptdir)/notebook.tcl}
122	#----------------------------------------------------------------
123	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
124	source [file join $expgui(scriptdir) opts.tcl]
125	}
126	# fetch EXP file processing routines
127	source [file join $expgui(scriptdir) readexp.tcl]
128	# commands for running GSAS programs
129	source [file join $expgui(scriptdir) gsascmds.tcl]
130	# contents of GSAS menus
131	source [file join $expgui(scriptdir) gsasmenu.tcl]
132	# commands for adding phases, histograms & atoms
133	source [file join $expgui(scriptdir) addcmds.tcl]
134	# commands for constraints
135	source [file join $expgui(scriptdir) atomcons.tcl]
136	# commands for preferred orientation
137	source [file join $expgui(scriptdir) orient.tcl]
138	#---------------------------------------------------------------------------
139	# override options with locally defined values
140	if [file exists [file join $expgui(scriptdir) localconfig]] {
141	source [file join $expgui(scriptdir) localconfig]
142	}
143	if [file exists [file join ~ .gsas_config]] {
144	source [file join ~ .gsas_config]
145	}
146	if {$tcl_platform(platform) == "windows"} {
147	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
148	} else {
149	set expgui(exptool) [file join $expgui(gsasexe) exptool]
150	}
151	#---------------------------------------------------------------------------
152	if {$expgui(expfile) != ""} {
153	if ![file exists $expgui(expfile)] {
154	update
155	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
156	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
157	error 0 "Create" "Open other"]
158	if $ans {set expgui(expfile) {}}
159	}
160	}
161	if {$expgui(expfile) == ""} {
162	# center the parent window because the getExpFileName window
163	# will be centered above it.
164	wm withdraw .
165	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
166	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
167	wm geom . +$x+$y
168	wm deiconify .
169	# windows needed this update before when using tk_getOpenFile.
170	# I am not sure it is still needed.
171	update
172	#
173	set expgui(expfile) [getExpFileName old]
174	}
175	if {$expgui(expfile) == ""} exit
176	# you've been warned this .EXP does not exist!
177	if ![file exists $expgui(expfile)] {
178	# create an "empty" exp file
179	createexp $expgui(expfile) \
180	[getstring "title for experiment $expgui(expfile)" 60 0]
181	}
182	catch {cd [string trim [file dirname $expgui(expfile)]]}
183
184	#
185	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
186	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
187	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
188	# load exp file and set up dialogs
189	proc loadexp {expfile} {
190	global expgui expmap entryvar entrycmd tcl_platform
191	set exploadtime [time {set fmt [expload $expfile]}]
192	if $expgui(debug) {puts "expload $exploadtime"}
193	# if the file was not in the correct format, force a rewrite before use
194	if {$fmt < 0} {
195	# read error
196	return
197	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
198	set expgui(changed) 1
199	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
200	set expgui(changed) 1
201	} else {
202	set expgui(changed) 0
203	}
204
205	# force exp files to be upper case, force save if name changes
206	set filetail [file tail $expfile]
207	set filetailcaps [string toupper $filetail]
208	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
209	set expgui(changed) 1
210	}
211	if {[file dirname $expfile] == "."} {
212	set expgui(expfile) $filetailcaps
213	} else {
214	set expgui(expfile) [file join \
215	[file dirname $expfile] $filetailcaps]
216	}
217
218	mapexp
219	set expgui(expModifiedLast) 0
220	catch {
221	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
222	}
223	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
224	# set the window/icon title
225	wm title . "EXPGUI $expfile"
226	set expgui(titleunchanged) 1
227	wm iconname . [file tail $expfile]
228
229	# set the number of phases on the phase page
230	setphases
231
232	# disable the "global options" that don't make sense based
233	# on the histograms present
234	foreach num {1 2 3 4 5} {
235	set flag($num) 0
236	}
237	foreach h $expmap(powderlist) {
238	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
239	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
240	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
241	[histinfo $h lam2] != 0.0} {set flag(3) 1}
242	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
243	[histinfo $h lam2] == 0.0} {set flag(4) 1}
244	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
245	}
246	foreach num {1 2 3 4 5} \
247	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
248	"Energy Disp Xray"} {
249	if $flag($num) {
250	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
251	} else {
252	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
253	}
254	}
255	# disable traces on entryvar until we are ready
256	set entrycmd(trace) 0
257	trace vdelete entryvar w entvartrace
258
259	# propogate changes on the least squares page
260	set entryvar(cycles) [expinfo cycles]
261	set entrycmd(cycles) "expinfo cycles"
262	# set expgui(globalmode) 0
263	set expgui(printopt) "Print Options ([expinfo print])"
264	set entryvar(title) [expinfo title]
265	global printopts
266	foreach num [array names printopts] {
267	set entrycmd(printopt$num) "printsetting $num"
268	set entryvar(printopt$num) [printsetting $num]
269	}
270	# enable traces on entryvar
271	set entrycmd(trace) 1
272	trace variable entryvar w entvartrace
273
274	# set fo extraction on LS page
275	SetupExtractHist
276
277	# update the histogram list & the page, if shown
278	sethistlist
279
280	# update the atoms display
281	# DisplayAllAtoms noreset
282	SelectOnePhase $expgui(curPhase)
283
284	# start checking for external changes
285	afterawhile
286	}
287
288	# called to reread the .EXP file
289	proc rereadexp {expfile} {
290	global expgui
291	if $expgui(changed) {
292	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
293	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
294	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
295	switch $decision {
296	0 { savearchiveexp }
297	1 { }
298	2 { return }
299	}
300	}
301	loadexp $expgui(expfile)
302	}
303
304	proc SaveAsFile {} {
305	global expgui
306	set newexpfile [getExpFileName new]
307	if {$newexpfile == ""} return
308	expwrite $newexpfile
309	set expgui(expfile) $newexpfile
310	catch {cd [string trim [file dirname $expgui(expfile)]]}
311	set expgui(changed) 0
312	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
313	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
314	# set the window/icon title
315	wm title . $expgui(expfile)
316	set expgui(titleunchanged) 1
317	wm iconname . [file tail $expgui(expfile)]
318	}
319
320	# called to read a different .EXP file
321	proc readnewexp {} {
322	global expgui expmap
323	if $expgui(changed) {
324	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
325	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
326	{} 0 "Save and read" "Read without Save" "Cancel read command"]
327	switch $decision {
328	0 { savearchiveexp }
329	1 { }
330	2 { return }
331	}
332	}
333	set newexpfile [getExpFileName old]
334	if {$newexpfile == ""} return
335
336	# switch to the 1st page
337	RaisePage lsFrame
338
339	if ![file exists $newexpfile] {
340	# you've been warned this .EXP does not exist!
341	# create an "empty" exp file
342	createexp $newexpfile \
343	[getstring "title for experiment $newexpfile" 60 0]
344	}
345	set expgui(expfile) $newexpfile
346	catch {cd [string trim [file dirname $expgui(expfile)]]}
347	set expgui(globalmode) 0
348	loadexp $expgui(expfile)
349
350	# select the 1st phase
351	SelectOnePhase [lindex $expmap(phaselist) 0]
352	# select the first histogram in the list by default (if there are any)
353	if {[llength $expmap(histlistboxcontents)] > 0} {
354	set expgui(curhist) 0
355	} else {
356	set expgui(curhist) {}
357	}
358	if {[CountHistory] > 100} {
359	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
360	}
361	}
362
363	#------------- set up data read/write layer ----------------------
364	# trace routine on entryvar
365	proc entvartrace {array elem action} {
366	global expgui entrycmd entryvar
367	if !$entrycmd(trace) return
368
369	catch {
370	if {$entrycmd($elem) == ""} return
371	incr expgui(changed)
372	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
373	if {$entrycmd($elem) == ""} return
374	if [catch {
375	eval $entrycmd($elem) set [list $entryvar($elem)]
376	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
377	after idle {DisplayAllAtoms noreset}
378	}
379	} errmsg] {puts "entvartrace error: $errmsg"}
380	}
381	}
382
383	# disable traces on entryvar until we are ready
384	set entrycmd(trace) 0
385	trace variable entryvar w entvartrace
386
387	#
388	#
389	#
390	##############################################################################
391	##### #####################################################
392	##### PROCEDURES SECTION #####################################################
393	##### #####################################################
394	##############################################################################
395	# reset routine is used for debugging
396	proc reset {} {
397	global expgui script argv
398	set script $expgui(script)
399	set argv $expgui(expfile)
400	# remove traces
401	global entryvar
402	foreach cmd [trace vinfo entryvar] {
403	eval trace vdelete entryvar $cmd
404	}
405	global expgui
406	foreach cmd [trace vinfo expgui(backterms)] {
407	eval trace vdelete entryvar $cmd
408	}
409	foreach cmd [trace vinfo expgui(backtype)] {
410	eval trace vdelete entryvar $cmd
411	}
412	foreach a {
413	expmap expgui entryvar entrycmd
414	expgui_menulist expgui_cmdlist expgui_helplist
415	} {
416	global $a
417	catch {unset $a}
418	}
419	foreach w [winfo children .] {
420	destroy $w
421	}
422
423	uplevel #0 {source $script}
424	}
425
426	# save some of the global options in ~/.gsas_config
427	proc SaveOptions {} {
428	global expgui env tcl_platform
429	set fp [open [file join ~ .gsas_config] a]
430	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
431	puts $fp "set expgui($item) $expgui($item)"
432	}
433	if {$tcl_platform(platform) != "windows"} {
434	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
435	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
436	}
437	close $fp
438	}
439
440	proc About { } {
441	global expgui expmap
442	tk_dialog .about {About...} \
443	"EXPGUI\n\
444	Jonathan Wasserman and Brian Toby\n\
445	NIST Center for Neutron Research\n\n\
446	1998, Not subject to copyright\n\n\
447	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
448	Generalized Structure Analysis System (GSAS)\n\
449	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
450	" \
451	info 0 OK
452	}
453
454	# wait until idle
455	proc afterawhile {} {
456	# cancel any other instances of this loop
457	after cancel afterawhile
458	after cancel whenidle
459	after cancel whenidle
460	after idle whenidle
461	}
462
463	# This is called every 2 seconds to check for changes to the .EXP file
464	proc whenidle {} {
465	global expgui
466	if $expgui(titleunchanged) {
467	if {$expgui(changed) != 0} {
468	wm title . "$expgui(expfile) (modified)"
469	set expgui(titleunchanged) 0
470	}
471	}
472	if {$expgui(expModifiedLast) == 0} {
473	after 2000 afterawhile
474	return
475	}
476	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
477	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
478	if {$ans == 0} {
479	loadexp $expgui(expfile)
480	} elseif {$ans == 1} {
481	# reset the time to the next version
482	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
483	} elseif {$ans == 2} {
484	savearchiveexp
485	}
486	}
487	after 2000 afterawhile
488	}
489
490	# place a message about changes over the main window
491	proc ReloadExpMsg {file changes} {
492	global expgui tcl_platform
493	set msg "File $file has been modified by another program"
494	if {$changes == 1} {
495	append msg " and you have made a change to this version.\n"
496	} elseif {$changes > 0} {
497	append msg " and you have made $changes changes to this version.\n"
498	} else {
499	append msg ".\n"
500	}
501	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
502
503	set w .ask
504	catch {destroy $w}
505	toplevel $w -class Dialog
506	wm title $w "Reload?"
507	wm iconname $w "Reload?"
508	wm protocol $w WM_DELETE_WINDOW { }
509	wm transient $w .
510	frame $w.bot
511	pack $w.bot -side bottom
512	frame $w.top
513	pack $w.top -side top -fill both -expand 1
514	label $w.top.msg -justify left \
515	-wraplength 5i -font {Times 18} \
516	-text $msg
517	if {$tcl_platform(platform) == "windows"} {
518	$w.top.msg config -font {Times 14}
519	}
520	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
521	pack [button $w.bot.1 -text "Load new" \
522	-default active -command "set expgui(dialogbutton) 0" \
523	] -side left -expand 1 -padx 3m -pady 2m
524	pack [button $w.bot.2 -text "Continue with old" \
525	-command "set expgui(dialogbutton) 1"] \
526	-side left -expand 1 -padx 3m -pady 2m
527	if {$changes > 0} {
528	pack [button $w.bot.3 -text "Save edited version" \
529	-command "set expgui(dialogbutton) 2"] \
530	-side left -expand 1 -padx 3m -pady 2m
531	}
532	# Create a binding for <Return> on the dialog
533	bind $w <Return> "tkButtonInvoke $w.bot.1"
534	wm withdraw $w
535	update idletasks
536
537	# for windows put the box in the upper left, for
538	# unix center it over the parent (in unix it appears later)
539	#if {$tcl_platform(platform) == "windows"} {
540	#wm geom $w +0+0
541	#} else {
542
543	# for now, always center the message over the main window
544	# center the new window in the middle of the parent
545	set x [expr [winfo x .] + [winfo width .]/2 - \
546	[winfo reqwidth $w]/2 - [winfo vrootx .]]
547	set y [expr [winfo y .] + [winfo height .]/2 - \
548	[winfo reqheight $w]/2 - [winfo vrooty .]]
549	wm geom $w +$x+$y
550	#}
551	wm deiconify $w
552
553	# Grab the focus
554	set oldFocus [focus]
555	set oldGrab [grab current $w]
556	if {[string compare $oldGrab ""]} {
557	set grabStatus [grab status $oldGrab]
558	}
559	grab $w
560	focus $w.bot.1
561	# for windows rearrange window stacking
562	if {$tcl_platform(platform) == "windows"} {
563	lower .
564	raise $w .
565	}
566	update idletasks
567
568	tkwait variable expgui(dialogbutton)
569	catch {focus $oldFocus}
570	destroy $w
571	if {[string compare $oldGrab ""]} {
572	if {![string compare $grabStatus "global"]} {
573	grab -global $oldGrab
574	} else {
575	grab $oldGrab
576	}
577	}
578	raise .
579	return $expgui(dialogbutton)
580	}
581
582	# -------- called to confirm before exiting
583	proc catchQuit {} {
584	if {[confirmBeforeSave] == "Continue"} {
585	destroy .
586	}
587	}
588	# save the .EXP file before exiting?
589	proc confirmBeforeSave {} {
590	global expgui
591	if !$expgui(changed) {
592	return "Continue"
593	}
594	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
595	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
596	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
597	switch $decision {
598	0 { savearchiveexp; return "Continue" }
599	1 { return "Continue" }
600	2 { return "Cancel" }
601	}
602	}
603
604	proc archiveexp {} {
605	global expgui tcl_platform
606	# is there a file to archive
607	if {![file exists $expgui(expfile)]} return
608	catch {
609	set expnam [file rootname $expgui(expfile)]
610	if {$tcl_platform(platform) == "windows"} {
611	set version -1
612	catch {source $expnam.version}
613	incr version
614	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
615	# archive w/o pkzip
616	set file $expnam![format "%3.3d" $version].EXP
617	file copy -force $expnam.EXP $file
618	set fp [open $expnam.lst a]
619	puts $fp "\n--------------------------------------------------------------"
620	puts $fp "Archiving $expnam.EXP as $file"
621	puts $fp "--------------------------------------------------------------\n"
622	close $fp
623	} else {
624	# archive with PKZIP
625	# need to limit expnam to 8 characters
626	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
627	# PKZIP can't handle long dir names either
628	cd [set dir [file dirname $expnam]]
629	set file $sexp.[format "%3.3d" $version]
630	file copy -force $expnam.EXP $file
631	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
632	set fp [open $expnam.lst a]
633	puts $fp "\n--------------------------------------------------------------"
634	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
635	puts $fp "--------------------------------------------------------------\n"
636	close $fp
637	}
638	set fp [open $expnam.version w]
639	puts $fp "set version $version"
640	close $fp
641	} else {
642	set files [glob -nocomplain $expnam.EXP.*]
643	if {$files == ""} {
644	set file $expnam.EXP.000
645	} else {
646	set file [lindex [lsort -decreasing $files] 0]
647	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
648	incr number
649	set file $expnam.EXP.[format "%3.3d" $number]
650	}
651	exec cp $expgui(expfile) $file
652	if [catch {exec gzip $file}] {
653	exec echo "\n----------------------------------------------" >> $expnam.LST
654	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
655	exec echo "----------------------------------------------\n" >> $expnam.LST
656	} else {
657	exec echo "\n----------------------------------------------" >> $expnam.LST
658	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
659	exec echo "----------------------------------------------\n" >> $expnam.LST
660	}
661	}
662	} errmsg
663	if {$errmsg != ""} {
664	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
665	}
666	}
667
668	# save and optionally archive the expfile
669	proc savearchiveexp {} {
670	global expgui expmap
671	if !$expgui(changed) return
672	if $expgui(archive) archiveexp
673	# add a history record
674	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
675	# now save the file
676	expwrite $expgui(expfile)
677	set expgui(changed) 0
678	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
679	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
680	wm title . $expgui(expfile)
681	set expgui(titleunchanged) 1
682	}
683
684	# setup buttons for each phase on the phase page
685	proc setphases {} {
686	global expgui expmap
687	eval destroy [winfo children $expgui(phaseFrame).top.ps]
688	foreach num $expmap(phaselist) type $expmap(phasetype) {
689	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
690	-command "SelectOnePhase $num"] -side left
691	if {$type > 3} {
692	$expgui(phaseFrame).top.ps.$num config -state disabled
693	}
694	}
695	}
696
697	# Procedure to respond to changes the phase.
698	# This loads the "phases" widgets with data corresponding to the selected phase.
699	proc SelectOnePhase {num} {
700	global entryvar entrycmd expmap expgui
701	set crsPhase {}
702	foreach n $expmap(phaselist) type $expmap(phasetype) {
703	if {$n == $num && $type <= 3} {
704	$expgui(phaseFrame).top.ps.$num config -relief sunken
705	set crsPhase $num
706	if {$type == 3} {
707	set expgui(phasetype) "Magnetic\nOnly"
708	} elseif {$type == 2} {
709	set expgui(phasetype) "Magnetic\n& Nuclear"
710	} elseif {$type == 4} {
711	# this is not used at present
712	set expgui(phasetype) "Macromolecular"
713	} else {
714	set expgui(phasetype) ""
715	}
716	} else {
717	$expgui(phaseFrame).top.ps.$n config -relief raised
718	}
719	}
720	# no phase is selected
721	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
722	# disable traces on entryvar
723	set entrycmd(trace) 0
724	set entrycmd(phasename) ""
725	set entryvar(phasename) ""
726	foreach ent {a b c alpha beta gamma cellref celldamp} {
727	set entrycmd($ent) ""
728	set entryvar($ent) ""
729	}
730	set expgui(curPhase) {}
731	# enable traces on entryvar
732	set entrycmd(trace) 1
733	$expgui(EditingAtoms) config -text ""
734	DisplayAtom 0 0
735	DisplayU 0 0
736	DisplayRefFlags 0 0
737	$expgui(atomlistbox) delete 0 end
738	return
739	}
740
741	set expgui(curPhase) $crsPhase
742	# we have a phase
743
744	# disable traces on entryvar for right now
745	set entrycmd(trace) 0
746
747	##########################################################
748	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
749	##########################################################
750	# phase title
751	set entrycmd(phasename) "phaseinfo $crsPhase name"
752	set entryvar(phasename) [phaseinfo $crsPhase name]
753	# cell parameters & flags
754	foreach ent {a b c alpha beta gamma cellref celldamp} {
755	set entrycmd($ent) "phaseinfo $crsPhase $ent"
756	set entryvar($ent) [phaseinfo $crsPhase $ent]
757	}
758
759	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
760	# initialize to diasbled
761	DisplayAtom 0 0
762	DisplayU 0 0
763	DisplayRefFlags 0 0
764	$expgui(EditingAtoms) config -text ""
765
766	DisplayAllAtoms
767
768	# enable traces on entryvar now
769	set entrycmd(trace) 1
770	}
771
772	set expgui(noreenterDisplayAllAtoms) 0
773	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
774	proc DisplayAllAtoms {"mode reset"} {
775	global entryvar entrycmd expmap expgui
776	# if it does not show, dont bother
777	if {$expgui(pagenow) != "phaseFrame"} return
778	if {$expgui(curPhase) == ""} return
779	if $expgui(noreenterDisplayAllAtoms) return
780
781	set expgui(noreenterDisplayAllAtoms) 1
782	if {$mode != "reset"} {
783	# save the scrolled position
784	set pos [lindex [$expgui(atomlistbox) yview] 0]
785	} else {
786	# this is a reset -- clear the selected atoms list
787	set expgui(selectedatomlist) {}
788	}
789	$expgui(atomlistbox) delete 0 end
790	# loop over atoms
791	set maxline I
792	set phase $expgui(curPhase)
793	set atomlist {}
794	if {$expgui(asorttype) == "type"} {
795	# sort on atom type
796	foreach atom $expmap(atomlist_$phase) {
797	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
798	}
799	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
800	} elseif {$expgui(asorttype) == "number"} {
801	# sort on atom number
802	foreach atom $expmap(atomlist_$phase) {
803	lappend atomlist "$atom $atom $phase"
804	}
805	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
806	} elseif {$expgui(asorttype) == "x"} {
807	# sort on x
808	foreach atom $expmap(atomlist_$phase) {
809	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
810	}
811	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
812	} elseif {$expgui(asorttype) == "y"} {
813	# sort on y
814	foreach atom $expmap(atomlist_$phase) {
815	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
816	}
817	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
818	} elseif {$expgui(asorttype) == "z"} {
819	# sort on z
820	foreach atom $expmap(atomlist_$phase) {
821	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
822	}
823	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
824	} else {
825	error "Bad expgui(asorttype = $expgui(asorttype)"
826	}
827
828	foreach tuple $expmap(atomlistboxcontents) {
829	set atom [lindex $tuple 0]
830	set phase [lindex $tuple 2]
831	set refflag {}
832	foreach type {x u f} {
833	if {[atominfo $phase $atom ${type}ref]} {
834	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
835	} else {
836	append refflag " [atominfo $phase $atom ${type}damp] "
837	}
838	}
839	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%9.4f" \
840	$atom \
841	[atominfo $phase $atom label] \
842	[atominfo $phase $atom type] \
843	$refflag \
844	[atominfo $phase $atom x] \
845	[atominfo $phase $atom y] \
846	[atominfo $phase $atom z] \
847	[atominfo $phase $atom frac]
848	]
849	# add temperature factors (iso/anoiso)
850	if {[atominfo $phase $atom temptype] == "A"} {
851	set maxline A
852	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
853	[atominfo $phase $atom U11] \
854	[atominfo $phase $atom U22] \
855	[atominfo $phase $atom U33] \
856	[atominfo $phase $atom U12] \
857	[atominfo $phase $atom U23] \
858	[atominfo $phase $atom U13]
859	]
860	} else {
861	append line [format " %9.5f" \
862	[atominfo $phase $atom Uiso]
863	]
864	}
865	$expgui(atomlistbox) insert end $line
866	}
867	$expgui(atomtitle) delete 0 end
868	if {$maxline == "A"} {
869	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
870	" name " "type " "ref/damp " "fractional coordinates " \
871	" Occupancy" \
872	"Uiso/Uij "]
873	} else {
874	$expgui(atomtitle) insert end [format "%10s %6s %8s %30s%9s %s" \
875	" name " "type " "ref/damp " "fractional coordinates " \
876	" Occupancy" \
877	"Uiso"]
878	}
879	if {$mode != "reset"} {
880	# restore the selected items
881	foreach i $expgui(selectedatomlist) {
882	$expgui(atomlistbox) selection set $i
883	}
884	# restore the last scrolled position
885	$expgui(atomlistbox) yview moveto $pos
886	}
887	set expgui(noreenterDisplayAllAtoms) 0
888	}
889
890	# Procedure to select all atoms in response to a right-click
891	proc SelectAllAtoms {} {
892	global expgui
893	$expgui(atomlistbox) selection set 0 end
894	# call editRecord in case trace was called before the selection was made
895	editRecord
896	}
897
898	# Procedure to respond to left mouse release in the atoms Pane
899	proc editRecord { args } {
900	global entrycmd expgui
901	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
902	# disable traces on entryvar for right now
903	set entrycmd(trace) 0
904
905	if {[llength $expgui(selectedatomlist)] == 0} {
906	puts "How did this happen: [$expgui(atomlistbox) curselection]"
907	} elseif {[llength $expgui(selectedatomlist)] == 1} {
908	editOneRecord $expgui(selectedatomlist)
909	} else {
910	editMultipleRecords $expgui(selectedatomlist)
911	}
912	# reenable traces on entryvar
913	set entrycmd(trace) 1
914	# repaint the atoms box in case anything was changed
915	# DisplayAllAtoms noreset
916	}
917
918	proc editOneRecord { AtomIndex } {
919	global expmap expgui
920	# get atom number & phase
921	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
922	set atomnum [lindex $tuple 0]
923	set p [lindex $tuple 2]
924	DisplayU $atomnum $p
925	DisplayAtom $atomnum $p
926	DisplayRefFlags $atomnum $p
927	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
928	}
929
930	# this will not work for a multi-phase list of atoms (yet)
931	proc editMultipleRecords { AtomIndexList } {
932	global expmap expgui
933	set numberList {}
934	# current phase
935	set p $expgui(curPhase)
936	foreach AtomIndex $AtomIndexList {
937	# get atom number & phase
938	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
939	lappend numberList [lindex $tuple 0]
940	# set p [lindex $tuple 2]
941	}
942	# this needs to track by phase
943	$expgui(EditingAtoms) config -text \
944	"Set refinement options: atoms [CompressList $numberList]"
945	DisplayU 0 0
946	DisplayAtom 0 0
947	# this needs to track by phase
948	DisplayRefFlags $numberList $p
949	}
950
951	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
952	# becomes "1-4,6,7,13-15,19"
953	proc CompressList {numberList} {
954	# format the number list to save space
955	set lastnum -99
956	set flist {}
957	set count 0
958	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
959	foreach num $sortlist {
960	set next [expr $lastnum+1]
961	if {$num != $next} {
962	if {$count == 0 && $flist != ""} {
963	append flist ",$num"
964	} elseif {$count == 1 && $flist != ""} {
965	append flist ",$lastnum,$num"
966	} elseif {$flist != ""} {
967	append flist "-$lastnum,$num"
968	} else {
969	append flist "$num"
970	}
971	set lastnum $num
972	set count 0
973	} else {
974	incr count
975	incr lastnum
976	}
977	}
978	if {$count == 1 && $flist != ""} {
979	append flist ",$lastnum"
980	} elseif {$flist != "" && $count > 1} {
981	append flist "-$lastnum"
982	}
983	return $flist
984	}
985
986	# Procedure to display Isotropic or Anisotropic temperature factors
987	# Changes the display to one entry widget for Isotropic motion OR
988	# 6 entry widgets for Anisotropic motion in Frame3.
989	# or disables the widet entirly if atom = 0
990	proc DisplayU { atomnum p} {
991	global expgui entryvar entrycmd
992	if {$atomnum == 0} {
993	set iOrA disable
994	} else {
995	set iOrA [atominfo $p $atomnum temptype]
996	}
997
998	set firstbox [lindex $expgui(anisolabels) 0]
999	if { $iOrA == "A" } {
1000	$firstbox config -text "U11 "
1001	foreach item $expgui(anisolabels) {
1002	$item config -fg black
1003	}
1004	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1005	set entrycmd($var) "atominfo $p $atomnum $var"
1006	set entryvar($var) [eval $entrycmd($var)]
1007	$item config -fg black -state normal -bg white
1008	}
1009	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1010	foreach item $expgui(anisolabels) {
1011	# $item config -fg grey
1012	$item config -fg beige
1013	}
1014	foreach item [lrange $expgui(anisoentry) 1 end] \
1015	var {U22 U33 U12 U13 U23} {
1016	set entrycmd($var) ""
1017	set entryvar($var) ""
1018	$item config -fg beige -bg beige -state disabled
1019	}
1020	if { $iOrA == "disable"} {
1021	set entrycmd($var) ""
1022	set entryvar($var) ""
1023	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1024	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1025	} else {
1026	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1027	set entryvar(U11) [eval $entrycmd(U11)]
1028	$firstbox config -text Uiso -fg black
1029	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1030	}
1031	}
1032	}
1033
1034	# need to think about multiple phases
1035
1036	# Procedure to display refinement flags
1037	proc DisplayRefFlags { atomnum p} {
1038	global expgui entryvar entrycmd
1039	if {$atomnum == 0} {
1040	foreach label $expgui(atomreflbl) {
1041	$label config -fg beige
1042	}
1043	foreach entry $expgui(atomref) {
1044	$entry config -state disabled -fg beige -bg beige
1045	}
1046	return
1047	}
1048	foreach label $expgui(atomreflbl) {
1049	$label config -fg black
1050	}
1051	foreach entry $expgui(atomref) {
1052	$entry config -state normal -fg black -bg beige
1053	}
1054	foreach var {xref uref fref xdamp udamp fdamp} {
1055	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1056	set entryvar($var) [eval $entrycmd($var)]
1057	}
1058	}
1059
1060	# Procedure to display an atom in the atom edit boxes
1061	proc DisplayAtom { atomnum p} {
1062	global expgui entryvar entrycmd
1063	if {$atomnum == 0} {
1064	foreach label $expgui(atomlabels) {
1065	$label config -fg beige
1066	}
1067	foreach entry $expgui(atomentry) {
1068	$entry config -state disabled -fg beige -bg beige
1069	}
1070	return
1071	}
1072	foreach label $expgui(atomlabels) {
1073	$label config -fg black
1074	}
1075	foreach entry $expgui(atomentry) {
1076	$entry config -state normal -fg black -bg white
1077	}
1078	foreach var {x y z label frac } {
1079	set entrycmd($var) "atominfo $p $atomnum $var"
1080	set entryvar($var) [eval $entrycmd($var)]
1081	}
1082	}
1083
1084	# update the histogram list
1085	# to do: show histogram ref flags?
1086	proc sethistlist {} {
1087	global expgui expmap
1088	foreach lbox $expgui(HistSelectList) {
1089	$lbox.title delete 0 end
1090	$lbox.lbox delete 0 end
1091	if {$expgui(globalmode) != 0} {
1092	$lbox.lbox config -selectmode extended
1093	} else {
1094	$lbox.lbox config -selectmode browse
1095	}
1096	}
1097	# disable the unallowed pages in all mode
1098	if {$expgui(globalmode) == 6} {
1099	foreach pair $expgui(GlobalModeAllDisable) {
1100	if {$expgui(pagenow) == [lindex $pair 0]} {
1101	RaisePage lsFrame
1102	}
1103	eval [lindex $pair 1] -state disabled
1104	}
1105	} else {
1106	foreach pair $expgui(GlobalModeAllDisable) {
1107	eval [lindex $pair 1] -state normal
1108	}
1109	}
1110	set histlist {}
1111	if {$expgui(hsorttype) == "type"} {
1112	# sort on histogram type
1113	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1114	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1115	}
1116	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1117	} elseif {$expgui(hsorttype) == "number"} {
1118	# sort on histogram number
1119	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1120	lappend histlist "$h $h"
1121	}
1122	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1123	} elseif {$expgui(hsorttype) == "bank"} {
1124	# sort on original bank number
1125	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1126	lappend histlist "$h [histinfo $h bank]"
1127	}
1128	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1129	} elseif {$expgui(hsorttype) == "angle"} {
1130	# sort on wavelength (CW) or angle (E disp.)
1131	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1132	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1133	set det [format %8.2f [histinfo $h tofangle]]
1134	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1135	set det [format %8.5f [histinfo $h lam1]]
1136	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1137	set det [format %8.2f [histinfo $h lam1]]
1138	} else {
1139	set det {}
1140	}
1141	lappend histlist "$h $det"
1142	}
1143	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1144	}
1145
1146	# title field needs to match longest title
1147	foreach lbox $expgui(HistSelectList) {
1148	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1149	"h#" \
1150	type \
1151	bank \
1152	"ang/wave" \
1153	" title" \
1154	]
1155	}
1156	foreach tuple $expmap(histlistboxcontents) {
1157	set h [lindex $tuple 0]
1158
1159	if {$expgui(globalmode) == 1} {
1160	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1161	} elseif {$expgui(globalmode) == 2} {
1162	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1163	} elseif {$expgui(globalmode) == 3} {
1164	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1165	[histinfo $h lam2] == 0.0} continue
1166	} elseif {$expgui(globalmode) == 4} {
1167	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1168	[histinfo $h lam2] != 0.0} continue
1169	} elseif {$expgui(globalmode) == 5} {
1170	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1171	}
1172
1173	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1174	set det [format %8.2f [histinfo $h tofangle]]
1175	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1176	set det [format %8.5f [histinfo $h lam1]]
1177	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1178	set det [format %8.2f [histinfo $h lam1]]
1179	} else {
1180	set det {}
1181	}
1182	foreach lbox $expgui(HistSelectList) {
1183	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1184	$h \
1185	[string range $expmap(htype_$h) 1 2] \
1186	[histinfo $h bank] \
1187	$det \
1188	[string range [histinfo $h title] 0 66] \
1189	]
1190	}
1191	}
1192	foreach set $expgui(frameactionlist) {
1193	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
1194	}
1195	}
1196
1197	#-----------------------------------------------------------------------
1198	# ----------- draw Histogram page
1199	#-----------------------------------------------------------------------
1200	proc DisplayHistogram {} {
1201	global expgui entrycmd entryvar expmap
1202
1203	# trap if more than one histogram is selected unless global mode
1204	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1205	set expgui(curhist) [lindex $expgui(curhist) 0]
1206	}
1207
1208	# display the selected histograms
1209	$expgui(histFrame).hs.lbox selection clear 0 end
1210	foreach h $expgui(curhist) {
1211	$expgui(histFrame).hs.lbox selection set $h
1212	}
1213
1214	# disable traces on entryvar for right now
1215	set entrycmd(trace) 0
1216
1217	# get histogram list
1218	set histlist {}
1219	foreach item $expgui(curhist) {
1220	lappend histlist [lindex $expmap(powderlist) $item]
1221	}
1222	# must have at least one histogram selected here
1223	if {[llength $histlist] == 0} {
1224	set expgui(backtermlbl) ""
1225	set expgui(backtypelbl) ""
1226	foreach var {bref bdamp} {
1227	set entrycmd($var) ""
1228	set entryvar($var) ""
1229	}
1230	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1231	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1232	set expgui(bkglbl) ""
1233	eval destroy [winfo children $expgui(diffBox)]
1234	set entrycmd(trace) 1
1235	return
1236	}
1237
1238	if {$expgui(globalmode) != 0} {
1239	set expgui(backtermlbl) ""
1240	set expgui(backtypelbl) ""
1241	foreach var {bref bdamp} {
1242	set entrycmd($var) "histinfo [list $histlist] $var"
1243	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1244	}
1245	} else {
1246	set hist $histlist
1247	set terms [histinfo $hist backterms]
1248	set expgui(backtermlbl) "($terms terms)"
1249	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1250	foreach var {bref bdamp} {
1251	set entrycmd($var) "histinfo $hist $var"
1252	set entryvar($var) [eval $entrycmd($var)]
1253	}
1254	}
1255	# Top box
1256	if {$expgui(globalmode) != 0} {
1257	$expgui(histFrame).top.txt config \
1258	-text "Selected Histograms: [CompressList $histlist]"
1259	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1260	set expgui(bkglbl) "Globally Edit Background"
1261	} else {
1262	grid forget $expgui(histFrame).top
1263	set expgui(bkglbl) "Edit Background"
1264	}
1265
1266	# diffractometer constants
1267	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1268	wref pref dcref daref ratref ttref zref } {
1269	set entrycmd($var) "histinfo [list $histlist] $var"
1270	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1271	}
1272
1273	eval destroy [winfo children $expgui(diffBox)]
1274	if {$expgui(globalmode) == 0} {
1275	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1276	#------
1277	# TOF \|
1278	#------
1279	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1280	-column 1 -row 1
1281	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1282	-column 2 -row 1
1283	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1284	-column 3 -row 1 -sticky w
1285	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1286	-width 15 ] -column 4 -row 1
1287	#
1288	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1289	-column 1 -row 2
1290	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1291	-column 2 -row 2
1292	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1293	-column 3 -row 2
1294	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1295	-width 15 ] -column 4 -row 2
1296	#
1297	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1298	-column 3 -row 3
1299	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1300	-width 15 ] -column 4 -row 3
1301	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1302	-column 1 -row 3 -sticky w
1303	grid [ checkbutton $expgui(diffBox).rfDCzref \
1304	-variable entryvar(zref) ] -column 2 -row 3
1305	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1306	#---------------
1307	# CW - neutron \|
1308	#---------------
1309	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1310	-column 1 -row 1
1311	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1312	-column 2 -row 1
1313	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1314	-column 3 -row 1 -sticky w
1315	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1316	-width 15 ] -column 4 -row 1
1317	#
1318	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1319	-column 1 -row 3 -sticky w
1320	grid [ checkbutton $expgui(diffBox).rfDCzref \
1321	-variable entryvar(zref) ] -column 2 -row 3
1322	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1323	-column 3 -row 3
1324	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1325	-width 15 ] -column 4 -row 3
1326	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1327	[histinfo $hist lam2] == 0.0} {
1328	#--------------------------
1329	# CW - x-ray 1 wavelength \|
1330	#--------------------------
1331	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1332	-column 1 -row 1
1333	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1334	-column 2 -row 1
1335	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1336	-column 3 -row 1 -sticky w
1337	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1338	-width 15 ] -column 4 -row 1
1339	#
1340	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1341	-column 1 -row 3 -sticky w
1342	grid [ checkbutton $expgui(diffBox).rfDCzref \
1343	-variable entryvar(zref) ] -column 2 -row 3
1344	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1345	-column 3 -row 3
1346	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1347	-width 15 ] -column 4 -row 3
1348	#
1349	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1350	-column 1 -row 4 -sticky w
1351	grid [ checkbutton $expgui(diffBox).rfDCpref \
1352	-variable entryvar(pref) ] -column 2 -row 4
1353	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1354	-column 3 -row 4
1355	grid [ entry $expgui(diffBox).eDCpola \
1356	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1357	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1358	-column 5 -row 4
1359	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1360	-textvariable entryvar(ipola)] -column 6 -row 4
1361	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1362	#---------------------------
1363	# CW - x-ray 2 wavelengths \|
1364	#---------------------------
1365	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1366	-column 3 -row 1 -sticky w
1367	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1368	-width 15 ] -column 4 -row 1
1369	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1370	-width 15 ] -column 5 -row 1
1371	#
1372	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1373	-column 1 -row 2 -sticky w
1374	grid [ checkbutton $expgui(diffBox).rfDCrref \
1375	-variable entryvar(ratref) ] -column 2 -row 2
1376	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1377	-column 3 -row 2
1378	grid [ entry $expgui(diffBox).eDCkratio \
1379	-textvariable entryvar(kratio) \
1380	-width 15 ] -column 4 -row 2
1381	#
1382	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1383	-column 3 -row 3
1384	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1385	-width 15 ] -column 4 -row 3
1386	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1387	-column 1 -row 3 -sticky w
1388	grid [ checkbutton $expgui(diffBox).rfDCzref \
1389	-variable entryvar(zref) ] -column 2 -row 3
1390	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1391	-column 1 -row 4 -sticky w
1392	grid [ checkbutton $expgui(diffBox).rfDCpref \
1393	-variable entryvar(pref) ] -column 2 -row 4
1394	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1395	-column 3 -row 4
1396	grid [ entry $expgui(diffBox).eDCpola \
1397	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1398	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1399	-column 5 -row 4
1400	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1401	-textvariable entryvar(ipola)] -column 6 -row 4
1402	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1403	#-------------
1404	# ED - x-ray \|
1405	#-------------
1406	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1407	-column 1 -row 1
1408	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1409	-column 2 -row 1
1410	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1411	-column 3 -row 1 -sticky w
1412	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1413	-width 15 ] -column 4 -row 1
1414	#
1415	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1416	-column 1 -row 4 -sticky w
1417	grid [ checkbutton $expgui(diffBox).rfDCpref \
1418	-variable entryvar(pref) ] -column 2 -row 4
1419	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1420	-column 3 -row 4
1421	grid [ entry $expgui(diffBox).eDCpola \
1422	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1423	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1424	-column 5 -row 4
1425	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1426	-textvariable entryvar(ipola)] -column 6 -row 4
1427	}
1428	} elseif {$expgui(globalmode) == 1} {
1429	#-------------
1430	# Global TOF \|
1431	#-------------
1432	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1433	-column 1 -row 1
1434	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1435	-column 2 -row 1
1436	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1437	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1438	#
1439	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1440	-column 1 -row 2
1441	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1442	-column 2 -row 2
1443	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1444	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1445	#
1446	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1447	-column 1 -row 3 -sticky w
1448	grid [ checkbutton $expgui(diffBox).rfDCzref \
1449	-variable entryvar(zref) ] -column 2 -row 3
1450	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1451	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1452	} elseif {$expgui(globalmode) == 2} {
1453	#--------------------
1454	# Global CW neutron \|
1455	#--------------------
1456	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1457	-column 1 -row 1
1458	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1459	-column 2 -row 1
1460	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1461	-command "editglobalparm histinfo lam1 Wavelength"] \
1462	-column 3 -row 1
1463	#
1464	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1465	-column 1 -row 3 -sticky w
1466	grid [ checkbutton $expgui(diffBox).rfDCzref \
1467	-variable entryvar(zref) ] -column 2 -row 3
1468	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1469	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1470	} elseif {$expgui(globalmode) == 4} {
1471	#----------------------
1472	# Global CW mono xray \|
1473	#----------------------
1474	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1475	-column 1 -row 1
1476	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1477	-column 2 -row 1
1478	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1479	-command "editglobalparm histinfo lam1 Wavelength"] \
1480	-column 3 -row 1
1481	#
1482	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1483	-column 1 -row 3 -sticky w
1484	grid [ checkbutton $expgui(diffBox).rfDCzref \
1485	-variable entryvar(zref) ] -column 2 -row 3
1486	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1487	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1488	#
1489	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1490	-column 1 -row 4 -sticky w
1491	grid [ checkbutton $expgui(diffBox).rfDCpref \
1492	-variable entryvar(pref) ] -column 2 -row 4
1493	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1494	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1495	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1496	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1497	} elseif {$expgui(globalmode) == 3} {
1498	#------------------------
1499	# Global alpha 1,2 xray \|
1500	#------------------------
1501	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1502	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1503	-column 3 -row 1
1504	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1505	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1506	-column 4 -row 1
1507	#
1508	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1509	-column 1 -row 3 -sticky w
1510	grid [ checkbutton $expgui(diffBox).rfDCratref \
1511	-variable entryvar(ratref) ] -column 2 -row 3
1512	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1513	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1514	-column 3 -row 3
1515	#
1516	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1517	-column 1 -row 3 -sticky w
1518	grid [ checkbutton $expgui(diffBox).rfDCzref \
1519	-variable entryvar(zref) ] -column 2 -row 3
1520	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1521	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1522	#
1523	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1524	-column 1 -row 4 -sticky w
1525	grid [ checkbutton $expgui(diffBox).rfDCpref \
1526	-variable entryvar(pref) ] -column 2 -row 4
1527	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1528	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1529	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1530	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1531	} elseif {$expgui(globalmode) == 5} {
1532	#-----------------
1533	# Global ED xray \|
1534	#-----------------
1535	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1536	-column 1 -row 1
1537	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1538	-column 2 -row 1
1539	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1540	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1541	-column 3 -row 1
1542	#
1543	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1544	-column 1 -row 4 -sticky w
1545	grid [ checkbutton $expgui(diffBox).rfDCpref \
1546	-variable entryvar(pref) ] -column 2 -row 4
1547	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1548	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1549	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1550	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1551	}
1552	if {$expgui(globalmode) == 0} {
1553	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1554	-columnspan 2 -sticky e
1555	} else {
1556	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1557	-columnspan 2 -sticky e
1558	}
1559	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1560	-column 1 -row 1
1561	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1562	grid $expgui(diffBox).d.om -column 2 -row 1
1563	grid columnconfigure $expgui(diffBox) 9 -weight 1
1564	grid columnconfigure $expgui(diffBox) 0 -weight 1
1565	update idletasks
1566	# enable traces on entryvar now
1567	set entrycmd(trace) 1
1568	}
1569
1570	#-----------------------------------------------------------------------
1571	# populate the Scaling page
1572	#-----------------------------------------------------------------------
1573	proc DisplayFrac {} {
1574	global expgui entrycmd entryvar expmap
1575
1576	# trap if more than one histogram is selected unless global mode
1577	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1578	set expgui(curhist) [lindex $expgui(curhist) 0]
1579	}
1580
1581	# display the selected histograms
1582	$expgui(fracFrame).hs.lbox selection clear 0 end
1583	foreach h $expgui(curhist) {
1584	$expgui(fracFrame).hs.lbox selection set $h
1585	}
1586
1587	# disable traces on entryvar
1588	set entrycmd(trace) 0
1589
1590	# get histogram list
1591	set histlist {}
1592	foreach item $expgui(curhist) {
1593	lappend histlist [lindex $expmap(powderlist) $item]
1594	}
1595
1596	# must have at least one histogram selected here
1597	if {[llength $histlist] == 0} {
1598	foreach var {scale sref sdamp} {
1599	set entrycmd($var) ""
1600	set entryvar($var) ""
1601	}
1602	set parm [grid info $expgui(scaleBox).but1]
1603	if {$parm != ""} {
1604	grid forget $expgui(scaleBox).but1
1605	eval grid $expgui(scaleBox).ent1 $parm
1606	}
1607	# destroy the contents of the frame
1608	set phaseFractf1 $expgui(FracBox).f
1609	eval destroy [winfo children $phaseFractf1]
1610	# reenable traces on entryvar
1611	set entrycmd(trace) 1
1612	return
1613	}
1614
1615	#--------------
1616	# Scale factor
1617	#--------------
1618	if {$expgui(globalmode) != 0} {
1619	foreach var {scale sref sdamp} {
1620	set entrycmd($var) "histinfo [list $histlist] $var"
1621	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1622	}
1623	set parm [grid info $expgui(scaleBox).ent1]
1624	if {$parm != ""} {
1625	grid forget $expgui(scaleBox).ent1
1626	eval grid $expgui(scaleBox).but1 $parm
1627	}
1628	} else {
1629	set hist $histlist
1630	foreach var {scale sref sdamp} {
1631	set entrycmd($var) "histinfo $hist $var"
1632	set entryvar($var) [eval $entrycmd($var)]
1633	}
1634	set parm [grid info $expgui(scaleBox).but1]
1635	if {$parm != ""} {
1636	grid forget $expgui(scaleBox).but1
1637	eval grid $expgui(scaleBox).ent1 $parm
1638	}
1639	}
1640
1641	#----------------
1642	# Phase Fractions
1643	#----------------
1644	set phaseFractf1 $expgui(FracBox).f
1645	# destroy the contents of the frame
1646	eval destroy [winfo children $phaseFractf1]
1647	if {$expgui(globalmode) != 0} {
1648	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1649	} else {
1650	set txt "Phase Fractions"
1651	}
1652	if $expgui(haveBW) {
1653	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1654	} else {
1655	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1656	-column 0 -row 0 -sticky news
1657	}
1658	# Create the frame inside the canvas, One frame for each Phase.
1659	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1660	foreach hist $histlist {
1661	foreach i $expmap(phaselist_$hist) {
1662	lappend phasehistlist($i) $hist
1663	}
1664	}
1665	foreach i {1 2 3 4 5 6 7 8 9} {
1666	if {[llength $phasehistlist($i)] == 0} continue
1667	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1668	grid $framePF -column 0 -row $i -sticky ew
1669	# Label Heading for each phase.
1670	if {$expgui(globalmode) != 0} {
1671	grid [label $framePF.l1 \
1672	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1673	-column 0 -row 0 -sticky nws
1674	grid [button $framePF.but1 -text "Set Globally" \
1675	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1676	[list $phasehistlist($i)] $i" \
1677	] -column 1 -row 0
1678	} else {
1679	grid [label $framePF.l1 -text "Phase $i"] \
1680	-column 0 -row 0 -sticky nws
1681	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1682	-column 1 -row 0
1683	}
1684	set entrycmd(frac$i) "hapinfo $hist $i frac"
1685	set entryvar(frac$i) [hapinfo $hist $i frac]
1686	grid [label $framePF.l2 -text " Refine"] \
1687	-column 2 -row 0 -sticky nws
1688	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1689	-column 3 -row 0 -sticky nws
1690	set entrycmd(frref$i) "hapinfo $hist $i frref"
1691	set entryvar(frref$i) [hapinfo $hist $i frref]
1692	grid [label $framePF.l3 -text " Damping"] \
1693	-column 4 -row 0 -sticky nws
1694	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1695	0 1 2 3 4 5 6 7 8 9
1696	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1697	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1698	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1699	}
1700	# resize the scroll window to match the actual
1701	update idletasks
1702	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1703	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1704	update idletasks
1705	# enable traces on entryvar now
1706	set entrycmd(trace) 1
1707	}
1708
1709	#-----------------------------------------------------------------------
1710	# display the profile page
1711	#-----------------------------------------------------------------------
1712	proc DisplayProfile {} {
1713	global expgui entrycmd entryvar expmap
1714
1715	# trap if more than one histogram is selected unless global mode
1716	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1717	set expgui(curhist) [lindex $expgui(curhist) 0]
1718	}
1719	# display the selected histograms
1720	$expgui(profFrame).hs.lbox selection clear 0 end
1721	foreach h $expgui(curhist) {
1722	$expgui(profFrame).hs.lbox selection set $h
1723	}
1724
1725	# destroy the contents of the frame
1726	eval destroy [winfo children $expgui(ProfileBox).f]
1727
1728	if {$expgui(globalmode) == 0} {
1729	# must have at least one histogram selected here
1730	if {[llength $expgui(curhist)] == 0} return
1731	# disable traces on entryvar for right now
1732	set entrycmd(trace) 0
1733	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1734	# no defined histograms?
1735	if {$hist == ""} return
1736	# Create one frame for each Phase.
1737	set ind -1
1738	set htype [string range $expmap(htype_$hist) 2 2]
1739	foreach i $expmap(phaselist_$hist) {
1740	incr ind
1741	# Label Heading for each phase.
1742	set ptype [string trim [hapinfo $hist $i proftype]]
1743	if {$expgui(haveBW)} {
1744	grid [TitleFrame $expgui(ProfileBox).f.$i \
1745	-text "Hist $hist -- Phase $i (type $ptype)" \
1746	-relief groove -bd 2] \
1747	-column 0 -row $ind -sticky ew
1748	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1749	grid [frame $ProfileFrame.1] \
1750	-column 0 -row 0 -columnspan 10
1751	pack [label $ProfileFrame.1.l \
1752	-text Damping]\
1753	-side left
1754	} else {
1755	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1756	-column 0 -row $ind -sticky ew
1757	set ProfileFrame $expgui(ProfileBox).f.$i
1758	grid [frame $ProfileFrame.1] \
1759	-column 0 -row 0 -columnspan 10 -sticky ew
1760	pack [label $ProfileFrame.1.l \
1761	-text "Phase $i (type $ptype) Damping"]\
1762	-side left
1763	}
1764	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1765	0 1 2 3 4 5 6 7 8 9
1766	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1767	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1768	pack $ProfileFrame.1.tkOptDamp -side left
1769	pack [label $ProfileFrame.1.l1 \
1770	-text " Peak cutoff"]\
1771	-side left
1772	pack [entry $ProfileFrame.1.e1 \
1773	-width 10 -textvariable entryvar(pcut_$i)]\
1774	-side left
1775	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1776	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1777
1778	set col -1
1779	set row 1
1780	set nterms [hapinfo $hist $i profterms]
1781	set lbls {}
1782	catch {set lbls $expgui(prof-$htype-$ptype)}
1783	# for type 4, add extra terms depending on the cell type
1784	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
1785	for { set num 1 } { $num <= $nterms } { incr num } {
1786	set term {}
1787	catch {set term [lindex $lbls $num]}
1788	if {$term == ""} {set term $num}
1789	incr col
1790	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1791	-row $row -column $col
1792	incr col
1793	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1794	-variable entryvar(pref${num}_$i)] -row $row -column $col
1795	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1796	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1797	incr col
1798	grid [entry $ProfileFrame.ent${num}_${i} \
1799	-textvariable entryvar(pterm${num}_$i)\
1800	-width 12] -row $row -column $col
1801	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1802	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1803	if {$col > 6} {set col -1; incr row}
1804	}
1805	}
1806	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1807	} else {
1808	# get histogram list
1809	set histlist {}
1810	foreach item $expgui(curhist) {
1811	lappend histlist [lindex $expmap(powderlist) $item]
1812	}
1813	# must have at least one histogram selected here
1814	if {[llength $histlist] == 0} return
1815	# disable traces on entryvar for right now
1816	set entrycmd(trace) 0
1817	# loop through histograms & phases, set up an array by phase & profile type
1818	catch {unset prtyparray histarray phasearray}
1819	foreach hist $histlist {
1820	foreach phase $expmap(phaselist_$hist) {
1821	set prtyp [string trim [hapinfo $hist $phase proftype]]
1822	set key ${prtyp}_$phase
1823	lappend prtyparray($key) $hist
1824	lappend histarray($key) $hist
1825	lappend phasearray($key) $phase
1826	}
1827	}
1828
1829	set ptype ""
1830	set i -1
1831	# loop over all combined phases and profile types, sorted 1st by profile number
1832	foreach key [lsort [array names prtyparray]] {
1833	# split key
1834	scan $key %d_%d prftyp p
1835
1836	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1837	set ptype $prftyp
1838	set curhistlist $histarray($key)
1839	set curphaslist $phasearray($key)
1840
1841	set hist1 [lindex $curhistlist 0]
1842	set phase1 [lindex $curphaslist 0]
1843	set nterms [hapinfo $hist1 $phase1 profterms]
1844	set htype [string range $expmap(htype_$hist1) 2 2]
1845	set lbls $expgui(prof-$htype-$ptype)
1846	# for type 4, add extra terms depending on the cell type
1847	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $phase1]}
1848	# Create a frame for this type
1849	incr i
1850	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1851	if {$expgui(haveBW)} {
1852	grid [TitleFrame $expgui(ProfileBox).f.$i \
1853	-text "Histogram [CompressList $histarray($key)] (type $ptype)" \
1854	-relief groove -bd 2] \
1855	-column 0 -row $i -sticky ew
1856	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1857	grid [frame $ProfileFrame.0] \
1858	-column 0 -row 0 -columnspan 20 -sticky ew
1859	} else {
1860	grid [frame $expgui(ProfileBox).f.$i \
1861	-relief groove -bd 4] \
1862	-column 0 -row $i -sticky ew
1863	set ProfileFrame $expgui(ProfileBox).f.$i
1864	grid [frame $ProfileFrame.0] \
1865	-column 0 -row 0 -columnspan 20 -sticky ew
1866	grid [label $ProfileFrame.0.0 \
1867	-text "Profile Type $ptype "] -row 0 -column 0
1868	}
1869	grid [label $ProfileFrame.0.1 \
1870	-anchor w] -row 0 -column 1
1871	grid [frame $ProfileFrame.1] \
1872	-column 0 -row 1 -columnspan 20 -sticky ew
1873	grid [label $ProfileFrame.1.2 \
1874	-text "Damping"] -row 0 -column 2
1875	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1876	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1877	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1878	grid [button $ProfileFrame.1.edit \
1879	-text "Global Edit"] -row 0 -column 4 -sticky w
1880	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1881	set col -1
1882	set row 2
1883	for { set num 1 } { $num <= $nterms } { incr num } {
1884	set term {}
1885	catch {set term [lindex $lbls $num]}
1886	if {$term == ""} {set term $num}
1887	incr col
1888	grid [label $ProfileFrame.l${num}_${i} \
1889	-text "$term"] -row $row -column $col
1890	incr col
1891	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1892	-variable entryvar(pref${num}_$i)] \
1893	-row $row -column $col
1894	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1895	if {$col > 10} {set col -1; incr row}
1896	}
1897	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1898	} else {
1899	# add to the current entry
1900	eval lappend curhistlist $histarray($key)
1901	eval lappend curphaslist $phasearray($key)
1902	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
1903	}
1904	$ProfileFrame.0.1 config -text $boxtitle
1905	$ProfileFrame.1.edit config -command "\
1906	EditProfile \"\n$boxtitle\" \
1907	[list $curhistlist] \
1908	[list $curphaslist]"
1909	set entrycmd(pdamp_$i) "hapinfo \
1910	[list $curhistlist] \
1911	[list $curphaslist] pdamp"
1912	for { set num 1 } { $num <= $nterms } { incr num } {
1913	set entrycmd(pref${num}_$i) "hapinfo \
1914	[list $curhistlist] \
1915	[list $curphaslist] pref$num"
1916	}
1917	}
1918	}
1919
1920	# resize the scroll window to match the actual
1921	update idletasks
1922	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
1923	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
1924	update idletasks
1925	ResizeNotebook
1926	# enable traces on entryvar now
1927	set entrycmd(trace) 1
1928	}
1929
1930	# profile labels for type 4 profile
1931	proc type4lbls {lbls nterms phase} {
1932	if {$nterms == 14} {
1933	# cubic
1934	lappend lbls S400 S220
1935	} elseif {$nterms == 15} {
1936	# hexagonal
1937	lappend lbls S400 S004 S202
1938	} elseif {$nterms == 16} {
1939	# tetragonal or rhombohedral
1940	if {[phaseinfo $phase a] == [phaseinfo $phase c]} {
1941	# rhombohedral
1942	lappend lbls S400 S220 S310 S211
1943	} else {
1944	lappend lbls S400 S004 S220 S202
1945	}
1946	} elseif {$nterms == 18} {
1947	# orthorhombic
1948	lappend lbls S400 S040 S004 S220 S202 S022
1949	} elseif {$nterms == 21} {
1950	# monoclinic
1951	lappend lbls S400 S040 S004 S220 S202 S022 S301 S103 S121
1952	} elseif {$nterms == 25} {
1953	# triclinic
1954	lappend lbls S400 S040 S004 S220 S202 S022 S310 S103 S031 \
1955	S130 S301 S013 S211 S121 S112
1956	}
1957	return $lbls
1958	}
1959
1960	# process the bit settings in the print options
1961	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
1962	proc printsetting {bitnum "action get" "value {}"} {
1963	global entryvar expgui
1964	if {$action == "get"} {
1965	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
1966	} elseif $value {
1967	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
1968	} else {
1969	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
1970	}
1971	expinfo print set $newval
1972	set expgui(printopt) "Print Options ([expinfo print])"
1973	}
1974
1975	# need to respond to mouse presses -- control variable associated with extract Fobs
1976	# and set the LeBail extraction flags
1977	proc SetupExtractHist {} {
1978	global expgui entrycmd entryvar expmap
1979
1980	# display the selected histograms
1981	$expgui(lsFrame).hs.lbox selection clear 0 end
1982	foreach h $expgui(curhist) {
1983	$expgui(lsFrame).hs.lbox selection set $h
1984	}
1985
1986	# get histogram list
1987	set histlist {}
1988	foreach item $expgui(curhist) {
1989	set hist [lindex $expmap(powderlist) $item]
1990	if {$hist != ""} {lappend histlist $hist}
1991	}
1992	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
1993	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
1994	foreach phase {1 2 3 4 5 6 7 8 9} {
1995	$expgui(FobsExtractFrame).l$phase config -fg grey
1996	set expgui(Fextract$phase) {}
1997	foreach item $expgui(ExtractSettingsRadiobuttons) {
1998	${item}$phase config -state disabled -bd 1
1999	}
2000	}
2001	} elseif {[llength $histlist] == 1} {
2002	# disable traces on entryvar
2003	set entrycmd(trace) 0
2004	set entryvar(fobsextract) [histinfo $histlist foextract]
2005	foreach phase {1 2 3 4 5 6 7 8 9} {
2006	# is the phase present?
2007	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2008	$expgui(FobsExtractFrame).l$phase config -fg grey
2009	set expgui(Fextract$phase) {}
2010	foreach item $expgui(ExtractSettingsRadiobuttons) {
2011	${item}$phase config -state disabled -bd 1
2012	}
2013	} else {
2014	$expgui(FobsExtractFrame).l$phase config -fg black
2015	foreach item $expgui(ExtractSettingsRadiobuttons) {
2016	${item}$phase config -state normal -bd 2
2017	}
2018	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2019	}
2020	}
2021	} elseif {[llength $histlist] > 1} {
2022	# disable traces on entryvar
2023	set entrycmd(trace) 0
2024	# multiple histograms need phases in any histogram
2025	foreach phase {1 2 3 4 5 6 7 8 9} {
2026	set gotphase($phase) 0
2027	}
2028	foreach hist $histlist {
2029	foreach phase $expmap(phaselist_$hist) {
2030	set gotphase($phase) 1
2031	}
2032	}
2033	foreach phase {1 2 3 4 5 6 7 8 9} {
2034	set expgui(Fextract$phase) {}
2035	if $gotphase($phase) {
2036	$expgui(FobsExtractFrame).l$phase config -fg black
2037	foreach item $expgui(ExtractSettingsRadiobuttons) {
2038	${item}$phase config -state normal -bd 2
2039	}
2040	} else {
2041	$expgui(FobsExtractFrame).l$phase config -fg grey
2042	foreach item $expgui(ExtractSettingsRadiobuttons) {
2043	${item}$phase config -state disabled -bd 1
2044	}
2045	}
2046	}
2047	}
2048	# reenable traces
2049	set entrycmd(trace) 1
2050	}
2051	# respond to a change in the fobs extraction method for a phase
2052	# force the main extraction flag on, if fobs extraction is selected for any phase
2053	proc HistExtractSet {phase} {
2054	global expgui entryvar expmap
2055	foreach item $expgui(curhist) {
2056	lappend histlist [lindex $expmap(powderlist) $item]
2057	}
2058	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2059	incr expgui(changed)
2060	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2061	}
2062	#---------------------------- Global Edit Functions ------------------------
2063	proc editbackground {} {
2064	global expgui expmap entrycmd
2065	set histlist {}
2066	foreach n $expgui(curhist) {
2067	lappend histlist [lindex $expmap(powderlist) $n]
2068	}
2069	if {[llength $histlist] == 0} return
2070
2071	set w .back
2072	catch {destroy $w}
2073	toplevel $w -bg beige
2074	if {$expgui(globalmode) != 0} {
2075	wm title $w "Edit Background"
2076	} else {
2077	wm title $w "Global Edit Background"
2078	}
2079
2080	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2081	] -side top -expand yes -fill both
2082	if {[llength $histlist] > 1} {
2083	grid [label $w.0.a \
2084	-text "Setting background terms for histograms [CompressList $histlist]" \
2085	-bg beige] -row 0 -column 0 -columnspan 10
2086	} else {
2087	grid [label $w.0.a \
2088	-text "Setting background terms for histogram $histlist" \
2089	-bg beige] -row 0 -column 0 -columnspan 10
2090	}
2091	set hist [lindex $histlist 0]
2092	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2093
2094	# disable traces on expgui(backtype) & expgui(backterms) now
2095	set entrycmd(trace) 0
2096
2097	# number of terms
2098	set expgui(backtype) [histinfo $hist backtype]
2099	set expgui(orig_backtype) $expgui(backtype)
2100	set expgui(prev_backtype) $expgui(backtype)
2101	eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2102	grid $w.0.type -row 1 -column 1
2103	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2104
2105	# function type
2106	set expgui(backterms) [histinfo $hist backterms]
2107	set expgui(orig_backterms) $expgui(backterms)
2108	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2109	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2110	grid $w.0.terms -row 1 -column 3
2111	# enable traces on expgui(backtype) & expgui(backterms) now
2112	set entrycmd(trace) 1
2113
2114	#set background terms
2115	for {set num 1 } { $num <= 36 } { incr num } {
2116	set var "bterm$num"
2117	set expgui($var) {}
2118	set expgui(orig_$var) {}
2119	}
2120	if {[llength $histlist] == 1} {
2121	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2122	set var "bterm$num"
2123	set expgui($var) [histinfo $histlist $var]
2124	set expgui(orig_$var) $expgui($var)
2125	}
2126	}
2127
2128	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2129	-expand yes -fill both
2130	ShowBackTerms $w.1
2131
2132	set expgui(temp) {}
2133	pack [frame $w.b] -side top
2134	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2135	pack [button $w.b.3 -text Quit \
2136	-command "QuitEditBackground $w"] -side left
2137	bind $w <Return> "destroy $w"
2138
2139	# force the window to stay on top
2140	putontop $w
2141
2142	focus $w.b.2
2143	tkwait window $w
2144	afterputontop
2145
2146	if {$expgui(temp) != ""} return
2147
2148	if {$expgui(orig_backtype) != $expgui(backtype)} {
2149	histinfo $histlist backtype set $expgui(backtype)
2150	incr expgui(changed)
2151	}
2152	if {$expgui(orig_backterms) != $expgui(backterms)} {
2153	histinfo $histlist backterms set $expgui(backterms)
2154	incr expgui(changed)
2155	}
2156	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2157	set var "bterm$num"
2158	if {$expgui(orig_$var) != $expgui($var)} {
2159	histinfo $histlist $var set $expgui($var)
2160	incr expgui(changed)
2161	}
2162	}
2163
2164	if {$expgui(globalmode) == 0} {
2165	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2166	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2167	}
2168	}
2169
2170	trace variable expgui(backterms) w ChangeBackTerms
2171	proc ChangeBackTerms {a b c} {
2172	global entrycmd expgui
2173	if !$entrycmd(trace) return
2174	ShowBackTerms .back.1
2175	}
2176
2177	trace variable expgui(backtype) w ChangeBackType
2178	# reset the terms to 1, 0, 0... when the number of terms increase
2179	proc ChangeBackType {a b c} {
2180	global entrycmd expgui
2181	if !$entrycmd(trace) return
2182	if {$expgui(prev_backtype) == $expgui(backtype)} return
2183	set expgui(prev_backtype) $expgui(backtype)
2184	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2185	set var "bterm$num"
2186	if {$num == 1} {
2187	set expgui($var) 1.0
2188	} else {
2189	set expgui($var) 0.0
2190	}
2191	}
2192	}
2193
2194	proc ShowBackTerms {w } {
2195	global expgui expmap
2196	# destroy the contents of the frame
2197	eval destroy [winfo children $w]
2198	set histlist {}
2199	foreach n $expgui(curhist) {
2200	lappend histlist [lindex $expmap(powderlist) $n]
2201	}
2202	set widgetsPerRow 4
2203	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2204	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2205	set var "bterm$num"
2206	grid [label $w.l$num -text $num -bg beige] \
2207	-row $rows -column $cols -sticky nes
2208	incr cols
2209	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2210	] -row $rows -column $cols -sticky news
2211	incr cols
2212	}
2213	}
2214	}
2215
2216	proc QuitEditBackground {w} {
2217	global expgui
2218	# lets find out if anything changed
2219	set changed 0
2220	if {$expgui(orig_backtype) != $expgui(backtype)} {
2221	set changed 1
2222	}
2223	if {$expgui(orig_backterms) != $expgui(backterms)} {
2224	set changed 1
2225	}
2226	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2227	set var "bterm$num"
2228	if {$expgui(orig_$var) != $expgui($var)} {
2229	set changed 1
2230	break
2231	}
2232	}
2233	if $changed {
2234	set decision [tk_dialog .changes "Abandon Changes" \
2235	"You have made changes to the background. Ok to abandon changes?" \
2236	warning 0 Abandon Keep]
2237	if !$decision {
2238	set expgui(temp) "Quit"
2239	destroy $w
2240	}
2241	} else {
2242	set expgui(temp) "Quit"
2243	destroy $w
2244	}
2245	}
2246
2247	# this probably needs work
2248	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2249	global expgui expmap
2250	set w .global
2251	catch {destroy $w}
2252	toplevel $w -bg beige
2253	wm title $w "Edit Global Parameter"
2254	set expgui(temp) {}
2255	if {[llength $histlist] == 0} {
2256	set hist {}
2257	foreach n $expgui(curhist) {
2258	lappend hist [lindex $expmap(powderlist) $n]
2259	}
2260	} else {
2261	set hist $histlist
2262	}
2263	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2264	-side top -expand yes -fill both
2265	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2266	-bg beige] \
2267	-row 0 -column 0 -columnspan 10
2268	grid [entry $w.0.b -textvariable expgui(temp)] \
2269	-row 1 -column 0
2270
2271
2272	pack [frame $w.b] -side top
2273	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2274	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2275	bind $w <Return> "destroy $w"
2276
2277	# force the window to stay on top
2278	putontop $w
2279	focus $w.b.2
2280	tkwait window $w
2281	afterputontop
2282
2283	if {$expgui(temp) != ""} {
2284	foreach h $hist {
2285	if {$cmd == "histinfo"} {
2286	histinfo $h $variable set $expgui(temp)
2287	incr expgui(changed)
2288	if $expgui(debug) {
2289	puts "histinfo $h $variable set $expgui(temp)"
2290	}
2291	} elseif {$cmd == "hapinfo"} {
2292	hapinfo $h $phase $variable set $expgui(temp)
2293	incr expgui(changed)
2294	if $expgui(debug) {
2295	puts "hapinfo $phase $h $variable set $expgui(temp)"
2296	}
2297	} else {
2298	error "$cmd unimplemented"
2299	}
2300	}
2301	}
2302	}
2303
2304	proc EditProfile {title histlist phaselist} {
2305	global expgui expmap entrycmd
2306	set w .back
2307	catch {destroy $w}
2308	toplevel $w -bg beige
2309	wm title $w "Global Edit Profile"
2310	set hist [lindex $histlist 0]
2311	set phase [lindex $phaselist 0]
2312	set ptype [string trim [hapinfo $hist $phase proftype]]
2313	set htype [string range $expmap(htype_$hist) 2 2]
2314	set nterms [hapinfo $hist $phase profterms]
2315
2316	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2317	] -side top -expand yes -fill both
2318	grid [label $w.0.a \
2319	-text "Setting profile terms: $title" \
2320	-bg beige] -row 0 -column 0 -columnspan 10
2321	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2322
2323	# number of terms
2324	# set expgui(backtype) [histinfo $hist backtype]
2325	# set expgui(orig_backtype) $expgui(backtype)
2326	# set expgui(prev_backtype) $expgui(backtype)
2327	# eval tk_optionMenu $w.0.type expgui(backtype) {1 2 3 4 5 6}
2328	# grid $w.0.type -row 1 -column 1
2329
2330	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2331	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2332	set entrylist {}
2333	lappend entrylist "pcut $w.0.d"
2334
2335	set col -1
2336	set row 1
2337	set lbls $expgui(prof-$htype-$ptype)
2338	# for type 4, add extra terms depending on the cell type
2339	if {$ptype == 4} {set lbls [type4lbls $lbls $nterms $i]}
2340	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2341	] -side top -expand yes -fill both
2342	for { set num 1 } { $num <= $nterms } { incr num } {
2343	set term {}
2344	catch {set term [lindex $lbls $num]}
2345	if {$term == ""} {set term $num}
2346	incr col
2347	grid [label $w.1.l${num} -text "$term" -bg beige] \
2348	-row $row -column $col
2349	incr col
2350	grid [entry $w.1.ent${num} \
2351	-width 14] -row $row -column $col
2352	lappend entrylist "pterm$num $w.1.ent${num}"
2353	if {$col > 6} {set col -1; incr row}
2354	}
2355	pack [frame $w.b] -side top
2356	pack [button $w.b.2 -text Set \
2357	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2358	[list $histlist] $w"] -side left
2359	pack [button $w.b.3 -text Quit \
2360	-command "QuitEditProfile $w [list $entrylist]"] -side left
2361	bind $w <Return> "destroy $w"
2362
2363	# force the window to stay on top
2364	putontop $w
2365	focus $w.b.2
2366	tkwait window $w
2367	afterputontop
2368	}
2369
2370	proc SetEditProfile {entrylist phaselist histlist w} {
2371	global expgui
2372	foreach item $entrylist {
2373	set value [ [lindex $item 1] get ]
2374	if {$value != ""} {
2375	hapinfo $histlist $phaselist [lindex $item 0] set $value
2376	incr expgui(changed)
2377	if $expgui(debug) {
2378	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2379	}
2380	}
2381	}
2382	destroy $w
2383	}
2384
2385	proc QuitEditProfile {w entrylist} {
2386	global expgui
2387	# lets find out if anything changed
2388	set changed 0
2389	foreach item $entrylist {
2390	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2391	}
2392	if $changed {
2393	set decision [tk_dialog .changes "Abandon Changes" \
2394	"You have made changes to the Profile. Ok to abandon changes?" \
2395	warning 0 Abandon Keep]
2396	if !$decision {destroy $w}
2397	} else {
2398	destroy $w
2399	}
2400	}
2401
2402	##############################################################################
2403	## #############################################
2404	## END OF THE PROCEDURES SECTION #############################################
2405	## #############################################
2406	##############################################################################
2407
2408	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2409	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2410	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2411	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2412	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2413	# A frame for menu items at top of display
2414	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2415	# Pack the menu frame.
2416	pack $expgui(fm) -fill x -side top -anchor n
2417
2418	# create a button bar
2419	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2420
2421	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2422	# & LS controls
2423	if $expgui(haveBW) {
2424	pack [NoteBook .n -bd 2] -expand yes -fill both
2425	set expgui(lsFrame) [\
2426	.n insert end lsFrame -text "LS Controls" \
2427	-raisecmd "set expgui(pagenow) lsFrame; SetupExtractHist"]
2428	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2429	set expgui(phaseFrame) [\
2430	.n insert end phasePane -text "Phase" \
2431	-raisecmd "set expgui(pagenow) phaseFrame; \
2432	DisplayAllAtoms noreset"]
2433	# lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2434	set expgui(histFrame) [\
2435	.n insert end histPane -text "Histogram" \
2436	-raisecmd "set expgui(pagenow) histFrame; DisplayHistogram" \
2437	-createcmd MakeHistPane]
2438	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2439	lappend expgui(GlobalModeAllDisable) "histFrame {.n itemconfigure histPane}"
2440	set expgui(fracFrame) [\
2441	.n insert end fracPane -text "Scaling" \
2442	-raisecmd "set expgui(pagenow) fracFrame; DisplayFrac" \
2443	-createcmd MakeScalingPane]
2444	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2445	set expgui(profFrame) [\
2446	.n insert end profPane -text Profile \
2447	-raisecmd "set expgui(pagenow) profFrame; DisplayProfile"\
2448	-createcmd MakeProfilePane]
2449	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2450	lappend expgui(GlobalModeAllDisable) "profFrame {.n itemconfigure profPane}"
2451	set expgui(consFrame) [\
2452	.n insert end consPane -text Constraints \
2453	-raisecmd "set expgui(pagenow) consFrame; DisplayConstraintsPane"\
2454	-createcmd MakeConstraintsPane]
2455	lappend expgui(frameactionlist) "consFrame DisplayConstraintsPane"
2456
2457	set expgui(orientFrame) [\
2458	.n insert end prefPane -text "MD Pref Orient" \
2459	-raisecmd "set expgui(pagenow) orientFrame; DisplayOrient"\
2460	-createcmd MakeOrientPane]
2461	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2462	} else {
2463	Notebook:create .n -pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2464	pack .n -anchor w -fill both -expand yes
2465	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2466	orientFrame} \
2467	page {"LS Controls" Phase Histogram Scaling Profile \
2468	"MD Pref Orient"} {
2469	set expgui($item) [Notebook:frame .n $item]
2470	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2471	}
2472	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2473	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2474	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2475	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2476	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2477	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2478	set expgui(GlobalModeAllDisable) {}
2479	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2480	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2481	}
2482
2483	# this is used to bring up the selected frame
2484	proc RaisePage {nextpage} {
2485	global expgui
2486	if $expgui(haveBW) {
2487	.n see $nextpage
2488	.n raise $nextpage
2489	set expgui(pagenow) $nextpage
2490	} else {
2491	Notebook:raise .n $nextpage
2492	InitPage $nextpage
2493	}
2494	}
2495	# this is only called when BWidget is not in use
2496	proc InitPage {nextpage} {
2497	global expgui
2498	set expgui(pagenow) $nextpage
2499	foreach set $expgui(frameactionlist) {
2500	# don't worry about errors
2501	catch {
2502	if {$expgui(pagenow) == [lindex $set 0]} [lindex $set 1]
2503	}
2504	}
2505	}
2506	# resize the notebook to fit all the tabs and the largest page
2507	proc ResizeNotebook {} {
2508	global expgui
2509	if {$expgui(haveBW)} {
2510	.n compute_size
2511	} else {
2512	Notebook:resize .n
2513	}
2514	}
2515
2516	#----------------------------------------------------------------------------
2517	proc MakePhasePane {} {
2518	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2519	global expgui
2520	frame $expgui(phaseFrame).top
2521	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2522	# This is a big frame in the Phase notebook pane to hold atomic data.
2523	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2524	-relief raised -borderwidth 4 -bg beige]
2525	# This is a frame just below the big frame: for edits
2526	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2527	-relief raised -borderwidth 4 -bg beige]
2528
2529	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2530	grid $frameLatt -sticky news -row 2 -column 0
2531	grid $fbig -sticky news -row 3 -column 0
2532	# give extra space to the atoms box
2533	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2534	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2535	grid $frame3 -sticky news -row 4 -column 0
2536	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2537	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2538	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2539	# this is where the buttons will go
2540	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2541
2542	grid [label $expgui(phaseFrame).top.lA -text " Phase name:" \
2543	-fg blue ] -column 1 -row 0 -sticky e
2544	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2545	-fg blue -width 45] -column 2 -row 0 -sticky e
2546	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2547	# ------------- Lattice Parameter Box ------------------
2548	set row 0
2549	foreach col {2 4 6} var {a b c} lbl {a b c} {
2550	grid [label $frameLatt.l$var -text $lbl] \
2551	-column $col -row $row -padx 5 -sticky e
2552	incr col
2553	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2554	-column $col -row $row -padx 5
2555	}
2556	incr row
2557	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2558	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2559	-column $col -row $row -padx 5 -sticky e
2560	incr col
2561	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2562	-column $col -row $row -padx 5
2563	}
2564
2565	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2566	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2567	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2568	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2569	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2570	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2571	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2572	-column 1 -row 0 -rowspan 2
2573	if [file executable $expgui(exptool)] {
2574	button $frameLatt.newp -text Add\nPhase -command MakeAddPhaseBox
2575	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2576	}
2577	grid columnconfig $frameLatt 1 -weight 1
2578	grid columnconfig $frameLatt 0 -weight 1
2579	#-------------- Begin Atom Coordinates Box ------------------------------
2580	grid [listbox $fbig.title -height 1 -relief flat \
2581	-exportselection 0] \
2582	-row 0 -column 0 -sticky ew
2583	set expgui(atomtitle) $fbig.title
2584	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2585	grid [listbox $fbig.lbox -height 10 \
2586	-exportselection 0 \
2587	-xscrollcommand " $fbig.bscr set"\
2588	-yscrollcommand " $fbig.rscr set"\
2589	] -row 1 -column 0 -sticky news
2590	set expgui(atomlistbox) $fbig.lbox
2591	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2592	grid [scrollbar $fbig.bscr -orient horizontal \
2593	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2594	] -row 2 -column 0 -sticky ew
2595	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2596	] -row 1 -column 1 -sticky ns
2597	# give extra space to the atoms box
2598	grid columnconfigure $fbig 0 -weight 1
2599	grid rowconfigure $fbig 1 -weight 1
2600
2601	# BIND mouse in editbox
2602	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2603	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2604
2605	#-------------- End Atoms Section ---------------------------------
2606
2607	# --------------------------- Begin Edit Box ------------------------
2608	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2609	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2610	if [file executable $expgui(exptool)] {
2611	button $frame3.newa -text "Add New Atom" \
2612	-command {MakeAddAtomsBox $expgui(curPhase)}
2613	grid $frame3.newa -column 11 -row 0
2614	}
2615
2616	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2617	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2618
2619	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2620	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2621	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2622	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2623	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2624	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2625
2626	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2627	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2628
2629	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2630	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2631	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2632	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2633	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2634	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2635	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2636	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2637	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2638
2639	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2640	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2641
2642	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2643	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2644
2645	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2646	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2647	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2648	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2649	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2650	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2651	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2652	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2653	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2654	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2655
2656	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2657	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2658	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2659	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2660	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2661	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2662	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2663	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2664
2665	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2666	grid $f3f31 -column 0 -row 7 -columnspan 12
2667	set expgui(anisolabels) {}
2668	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2669	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2670	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2671	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2672	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2673	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2674
2675	set expgui(anisoentry) {}
2676	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2677	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2678	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2679	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2680	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2681	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2682
2683	set col 0
2684	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2685	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2686	incr col
2687	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2688	incr col
2689	}
2690	# --------------------------- End Edit Box -------------------------
2691
2692	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2693	# resize in case the pane needs more space
2694	ResizeNotebook
2695	}
2696
2697	proc move2boxes {boxlist args} {
2698	foreach listbox $boxlist {
2699	eval $listbox xview $args
2700	}
2701	}
2702	#-----------------------------------------------------------------------------
2703	proc MakeHistPane {} {
2704	#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
2705	global expgui
2706	grid [frame $expgui(histFrame).hs] \
2707	-column 0 -row 0 -rowspan 10 -sticky nsew
2708	grid columnconfigure $expgui(histFrame) 0 -weight 1
2709	grid rowconfigure $expgui(histFrame) 1 -weight 1
2710	grid rowconfigure $expgui(histFrame) 2 -weight 1
2711	grid rowconfigure $expgui(histFrame) 3 -weight 1
2712	grid [listbox $expgui(histFrame).hs.title -height 1 -relief flat \
2713	-exportselection 0 \
2714	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2715	grid [listbox $expgui(histFrame).hs.lbox -height 10 -width 25 \
2716	-exportselection 0 \
2717	-font $expgui(histfont) \
2718	-xscrollcommand "$expgui(histFrame).hs.x set" \
2719	-yscrollcommand "$expgui(histFrame).hs.y set" \
2720	] -row 1 -column 0 -sticky news
2721	lappend expgui(HistSelectList) $expgui(histFrame).hs
2722	grid [scrollbar $expgui(histFrame).hs.x -orient horizontal \
2723	-command "move2boxes \" $expgui(histFrame).hs.title $expgui(histFrame).hs.lbox \" "
2724	] -row 2 -column 0 -sticky ew
2725	grid [scrollbar $expgui(histFrame).hs.y \
2726	-command "$expgui(histFrame).hs.lbox yview"] \
2727	-row 1 -column 1 -sticky ns
2728	grid columnconfigure $expgui(histFrame).hs 0 -weight 1
2729	grid rowconfigure $expgui(histFrame).hs 1 -weight 1
2730	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2731	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2732	DisplayHistogram
2733	}
2734	bind $expgui(histFrame).hs.lbox <Button-3> {
2735	if $expgui(globalmode) {
2736	$expgui(histFrame).hs.lbox selection set 0 end
2737	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2738	DisplayHistogram
2739	}
2740	}
2741
2742	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2743	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2744	if $expgui(haveBW) {
2745	foreach item {backBox diffBox} num {2 3} \
2746	title {Background "Diffractometer Constants"} {
2747	TitleFrame $expgui(histFrame).$item \
2748	-borderwidth 4 -side left -relief groove -text $title
2749	set expgui($item) [$expgui(histFrame).$item getframe]
2750	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2751	grid rowconfigure $expgui(histFrame) $num -minsize 100
2752	}
2753	} else {
2754	foreach item {backBox diffBox} num {1 2} \
2755	title {Background "Diffractometer Constants"} {
2756	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2757	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2758	set expgui($item) $expgui(histFrame).$item
2759	grid [label $expgui(histFrame).$item.title -text $title] \
2760	-row 0 -column 0 -columnspan 10 -sticky nw
2761	}
2762	}
2763	if [file executable $expgui(exptool)] {
2764	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2765	grid $expgui(histFrame).newh -column 1 -row 6
2766	}
2767
2768	# BACKGROUND information.
2769	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2770	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2771	grid [label $expgui(backBox).frm1.lBGType \
2772	-textvariable expgui(backtypelbl)] \
2773	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2774	grid [label $expgui(backBox).frm1.lBGTerms \
2775	-textvariable expgui(backtermlbl)] \
2776	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2777	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2778	-command editbackground] \
2779	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2780	grid [frame $expgui(backBox).frm2 ] \
2781	-row 1 -column 0 -columnspan 11 -sticky e
2782	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2783	-row 2 -column 1 -sticky news -padx 4 -pady 3
2784	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2785	-variable entryvar(bref) ] \
2786	-row 2 -column 2 -sticky news -padx 4 -pady 3
2787	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2788	-row 2 -column 3 -sticky w -padx 2 -pady 3
2789	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2790	grid $expgui(backBox).frm2.om \
2791	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2792	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2793	# insert the histograms & resize in case the pane needs more space
2794	sethistlist
2795	ResizeNotebook
2796	}
2797	###############################################################################
2798	proc MakeScalingPane {} {
2799	#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
2800	global expgui
2801	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2802	grid [listbox $expgui(fracFrame).hs.title -height 1 -relief flat \
2803	-exportselection 0 \
2804	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2805	grid [listbox $expgui(fracFrame).hs.lbox -height 10 -width 25 \
2806	-exportselection 0 \
2807	-font $expgui(histfont) \
2808	-xscrollcommand "$expgui(fracFrame).hs.x set" \
2809	-yscrollcommand "$expgui(fracFrame).hs.y set" \
2810	] -row 1 -column 0 -sticky news
2811	lappend expgui(HistSelectList) $expgui(fracFrame).hs
2812	grid [scrollbar $expgui(fracFrame).hs.x -orient horizontal \
2813	-command "move2boxes \" $expgui(fracFrame).hs.title $expgui(fracFrame).hs.lbox \" "
2814	] -row 2 -column 0 -sticky ew
2815	grid [scrollbar $expgui(fracFrame).hs.y \
2816	-command "$expgui(fracFrame).hs.lbox yview"] \
2817	-row 1 -column 1 -sticky ns
2818	grid columnconfigure $expgui(fracFrame).hs 0 -weight 1
2819	grid rowconfigure $expgui(fracFrame).hs 1 -weight 1
2820	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2821	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2822	DisplayFrac
2823	}
2824	bind $expgui(fracFrame).hs.lbox <Button-3> {
2825	if $expgui(globalmode) {
2826	$expgui(fracFrame).hs.lbox selection set 0 end
2827	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2828	DisplayFrac
2829	}
2830	}
2831	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2832	# Create a large canvas area containing a frame for each phase in the data set.
2833	# The canvas and vertical scrollbar are inside a frame called f1
2834	if $expgui(haveBW) {
2835	TitleFrame $expgui(fracFrame).f1.scaleBox \
2836	-borderwidth 4 -text "Scale Factor"
2837	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2838	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2839	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2840	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2841	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2842	} else {
2843	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2844	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2845	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2846	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2847	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2848	}
2849	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2850	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2851	button $expgui(scaleBox).but1 -text "Set Globally" \
2852	-command "editglobalparm histinfo scale {Scale Factor}"
2853
2854	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2855	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2856	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2857	-row 1 -column 3 -sticky news -padx 4 -pady 3
2858	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2859	-row 1 -column 4 -sticky w -padx 2 -pady 3
2860	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2861	grid $expgui(scaleBox).om \
2862	-row 1 -column 5 -sticky news -padx 4 -pady 3
2863	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2864
2865	if $expgui(haveBW) {
2866	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2867	-text "Phase Fractions" -relief groove] \
2868	-sticky news -row 1 -column 0 -columnspan 2
2869	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2870	} else {
2871	set PhaseFractBox $expgui(fracFrame).f1
2872	}
2873	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2874	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2875
2876	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2877	-scrollregion {0 0 5000 500} \
2878	-yscrollcommand "$PhaseFractBox.yscroll set" \
2879	-width 500 -height 350 -bg lightgrey]] \
2880	-sticky news -row 1 -column 0
2881	grid [scrollbar $PhaseFractBox.yscroll \
2882	-command "$expgui(FracBox) yview" \
2883	-orient vertical] \
2884	-sticky ns -row 1 -column 1
2885	frame $expgui(FracBox).f -bd 0
2886	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2887
2888	# the rest of the page is created in DisplayFrac
2889
2890	# insert the histograms & resize in case the pane needs more space
2891	sethistlist
2892	ResizeNotebook
2893	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2894	}
2895	###############################################################################
2896	proc MakeProfilePane {} {
2897	global expgui
2898	# 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
2899	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2900	grid [listbox $expgui(profFrame).hs.title -height 1 -relief flat \
2901	-exportselection 0 \
2902	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2903	grid [listbox $expgui(profFrame).hs.lbox -height 10 -width 25 \
2904	-exportselection 0 \
2905	-font $expgui(histfont) \
2906	-xscrollcommand "$expgui(profFrame).hs.x set" \
2907	-yscrollcommand "$expgui(profFrame).hs.y set" \
2908	] -row 1 -column 0 -sticky news
2909	lappend expgui(HistSelectList) $expgui(profFrame).hs
2910	grid [scrollbar $expgui(profFrame).hs.x -orient horizontal \
2911	-command "move2boxes \" $expgui(profFrame).hs.title $expgui(profFrame).hs.lbox \" "
2912	] -row 2 -column 0 -sticky ew
2913	grid [scrollbar $expgui(profFrame).hs.y \
2914	-command "$expgui(profFrame).hs.lbox yview"] \
2915	-row 1 -column 1 -sticky ns
2916	grid columnconfigure $expgui(profFrame).hs 0 -weight 1
2917	grid rowconfigure $expgui(profFrame).hs 1 -weight 1
2918	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2919	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2920	DisplayProfile
2921	}
2922	bind $expgui(profFrame).hs.lbox <Button-3> {
2923	if $expgui(globalmode) {
2924	$expgui(profFrame).hs.lbox selection set 0 end
2925	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2926	DisplayProfile
2927	}
2928	}
2929
2930	# Create a large canvas area containing a frame for each phase in the data set.
2931	# The canvas and vertical scrollbar are inside a frame called f1
2932	pack [frame $expgui(profFrame).f1] -fill both -expand true
2933	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
2934	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
2935	-sticky news -row 0 -column 0
2936	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
2937	-sticky ns -row 0 -column 1
2938
2939	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
2940	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
2941
2942	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
2943	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
2944	frame $expgui(ProfileBox).f -bd 0
2945	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
2946
2947	# insert the histograms & resize in case the pane needs more space
2948	sethistlist
2949	ResizeNotebook
2950	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2951	}
2952
2953	##############################################################################
2954	# 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
2955	array set printopts {
2956	0 "Print the reciprocal metric tensor changes"
2957	1 "Print the correlation matrix"
2958	2 "Print the Least-Squares matrices and vectors"
2959	4 "Print the linear constraint matrices"
2960	5 "Print the applied shifts and shift factors"
2961	6 "Print the reciprocal metric tensor Var-Covar terms"
2962	7 "Print all parameters for each cycle"
2963	8 "Print summary shift/esd data after last cycle"
2964	9 "Print zero/unit pole figure constraint terms"
2965	}
2966	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
2967	grid [listbox $expgui(lsFrame).hs.title -height 1 -relief flat \
2968	-exportselection 0 \
2969	-font $expgui(histfont) ] -row 0 -column 0 -sticky ew
2970	grid [listbox $expgui(lsFrame).hs.lbox -height 10 -width 25 \
2971	-exportselection 0 \
2972	-font $expgui(histfont) \
2973	-xscrollcommand "$expgui(lsFrame).hs.x set" \
2974	-yscrollcommand "$expgui(lsFrame).hs.y set" \
2975	] -row 1 -column 0 -sticky news
2976	lappend expgui(HistSelectList) $expgui(lsFrame).hs
2977	grid [scrollbar $expgui(lsFrame).hs.x -orient horizontal \
2978	-command "move2boxes \" $expgui(lsFrame).hs.title $expgui(lsFrame).hs.lbox \" "
2979	] -row 2 -column 0 -sticky ew
2980	grid [scrollbar $expgui(lsFrame).hs.y \
2981	-command "$expgui(lsFrame).hs.lbox yview"] \
2982	-row 1 -column 1 -sticky ns
2983	grid columnconfigure $expgui(lsFrame).hs 0 -weight 1
2984	grid rowconfigure $expgui(lsFrame).hs 1 -weight 1
2985	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
2986	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2987	SetupExtractHist
2988	}
2989	bind $expgui(lsFrame).hs.lbox <Button-3> {
2990	if $expgui(globalmode) {
2991	$expgui(lsFrame).hs.lbox selection set 0 end
2992	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
2993	SetupExtractHist
2994	}
2995	}
2996
2997	pack [frame $expgui(lsFrame).f1] -fill both -expand true
2998	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
2999	set row 0
3000	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3001	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3002	-textvariable expgui(last_History)] \
3003	-row $row -column 1 -columnspan 5 -sticky w
3004	incr row
3005	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3006	grid [entry $expgui(lsFrame).f1.tit2 \
3007	-textvariable entryvar(title) -width 48] \
3008	-row $row -column 1 -columnspan 5 -sticky w
3009	set entrycmd(title) "expinfo title"
3010
3011	incr row
3012	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3013	-row $row -column 0 -columnspan 2 -pady 3
3014	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3015	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3016	-textvariable entryvar(cycles)] -row 0 -column 1
3017	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3018	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3019	] -row $row -column 2
3020	menu $expgui(lsFrame).f1.lprint.menu
3021	foreach num [lsort [array names printopts]] {
3022	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3023	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3024	-variable entryvar(printopt$num)
3025	}
3026	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3027	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3028	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3029	incr row
3030	if {$expgui(haveBW)} {
3031	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3032	-text "Reflection Intensity Extraction" \
3033	] -row $row -column 0 -columnspan 6
3034	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3035	} else {
3036	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3037	] -row $row -column 0 -columnspan 6
3038	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3039	}
3040	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3041	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3042	-row 0 -column 8 -columnspan 3 -sticky e
3043	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3044	-row 0 -column 2
3045	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3046	-variable entryvar(fobsextract)] -row 0 -column 3
3047	foreach num {1 2 3 4 5 6 7 8 9} {
3048	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3049	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3050	-command "HistExtractSet $num" \
3051	-variable expgui(Fextract$num) -value 0] \
3052	-row 2 -column $num
3053	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3054	-command "HistExtractSet $num" \
3055	-variable expgui(Fextract$num) -value 1] \
3056	-row 3 -column $num
3057	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3058	-command "HistExtractSet $num" \
3059	-variable expgui(Fextract$num) -value 2] \
3060	-row 4 -column $num
3061	}
3062	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3063	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3064	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3065
3066	grid [label $expgui(FobsExtractFrame).t \
3067	-text "Extraction\nMethod" -anchor c] \
3068	-column 0 -row 0 -rowspan 2 -sticky s
3069	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3070	-column 1 -row 0 -columnspan 7 -sticky sw
3071	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3072	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3073	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3074	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3075	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3076	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3077	#-------------------------------------------------------------------------
3078	#-------------------------------------------------------------------------
3079	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3080
3081	#---- file menu button
3082	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3083	menu $expgui(fm).file.menu
3084	if $expgui(debug) {
3085	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3086	}
3087	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3088	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3089	-command savearchiveexp
3090	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3091	$expgui(fm).file.menu add command -label "Save As" \
3092	-command "SaveAsFile"
3093	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3094	-command {rereadexp $expgui(expfile)}
3095
3096	#---- help menu button
3097	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3098	menu $expgui(fm).help.menu
3099	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3100	-label "Help on Command"
3101	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3102	$expgui(fm).help.menu add command -label "About..." -command About
3103
3104	#---- options menu button
3105	menubutton $expgui(fm).option -text Options \
3106	-menu $expgui(fm).option.menu
3107	menu $expgui(fm).option.menu
3108
3109	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3110	-variable expgui(archive)
3111	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3112	-variable expgui(disaglSeparateBox)
3113
3114	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3115	-label "Sort atoms by"
3116
3117	set expgui(asorttype) number
3118	menu $expgui(fm).option.menu.asort
3119	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3120	-label number -value number -variable expgui(asorttype)
3121	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3122	-label type -value type -variable expgui(asorttype)
3123	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3124	-label x -value x -variable expgui(asorttype)
3125	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3126	-label y -value y -variable expgui(asorttype)
3127	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3128	-label z -value z -variable expgui(asorttype)
3129
3130
3131	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3132	-label "Sort histograms by"
3133
3134	set expgui(hsorttype) number
3135	menu $expgui(fm).option.menu.hsort
3136	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3137	-label number -value number -variable expgui(hsorttype)
3138	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3139	-label "Histogram type" -value type -variable expgui(hsorttype)
3140	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3141	-label "Bank #" -value bank -variable expgui(hsorttype)
3142	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3143	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3144
3145	#---- Global mode menu button
3146	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3147	-label "Multiple hist. selection"
3148	menu $expgui(fm).option.menu.editmode
3149	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3150	-variable expgui(globalmode) -value 0 \
3151	-command sethistlist
3152	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3153	-variable expgui(globalmode) -value 6 \
3154	-command sethistlist
3155	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3156	-variable expgui(globalmode) -value 1 \
3157	-command sethistlist
3158	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3159	-variable expgui(globalmode) -value 2 \
3160	-command sethistlist
3161	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3162	-variable expgui(globalmode) -value 3 \
3163	-command sethistlist
3164	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3165	-variable expgui(globalmode) -value 4 \
3166	-command sethistlist
3167	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3168	-variable expgui(globalmode) -value 5 \
3169	-command sethistlist
3170	$expgui(fm).option.menu.editmode add separator
3171	$expgui(fm).option.menu.editmode add checkbutton \
3172	-label "Group phases together" \
3173	-variable expgui(globalphasemode) \
3174	-command sethistlist
3175
3176	set expgui(globalmode) 0
3177	set expgui(globalphasemode) 1
3178
3179	if {$tcl_platform(platform) != "windows"} {
3180	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3181	-variable env(GSASBACKSPACE)
3182	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3183	-variable expgui(autoexpload)
3184	}
3185
3186	$expgui(fm).option.menu add command -label "Save Options" \
3187	-command "SaveOptions"
3188
3189	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3190
3191	foreach menu $expgui(menunames) {
3192	set m [string tolower $menu]
3193	pack [menubutton $expgui(fm).$m -text $menu \
3194	-menu $expgui(fm).$m.menu] -side left
3195	menu $expgui(fm).$m.menu
3196	}
3197	pack $expgui(fm).help -side right -in $expgui(fm)
3198
3199	# add the commands in expgui_menulist
3200	foreach menu [array names expgui_menulist ] {
3201	foreach cmd $expgui_menulist($menu) {
3202	set action {}
3203	set opt {}
3204	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3205	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3206	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3207	if {$action != "" && $action != "-"} {
3208	eval $expgui(fm).$menu.menu add command \
3209	-label $cmd $opt -command [list [subst $action]]
3210	if {[lindex $opt 0] == "-underline"} {
3211	catch {
3212	set num [lindex $opt 1]
3213	set key [string range $cmd $num $num]
3214	bind . <Alt-[string tolower $key]> [subst $action]
3215	bind . <Alt-[string toupper $key]> [subst $action]
3216	}
3217	}
3218	}
3219	}
3220	}
3221	# setup command help
3222	foreach cmd [array names expgui_cmdlist] {
3223	set help {}
3224	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3225	if {$help == ""} {
3226	if {$expgui(debug)} {puts "no help for $cmd"}
3227	} else {
3228	# remove
3229	regsub -all \x09 $help " " help
3230	# preserve blank lines
3231	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3232	regsub -all \x0A $help " " help
3233	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3234	regsub -all " +" $help " " help
3235	set expgui_helplist($cmd) [string trim $help]
3236	}
3237	}
3238	# set up button bar
3239	foreach cmd $expgui(buttonlist) {
3240	set action {}
3241	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3242	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3243	if {$action != ""} {
3244	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3245	-text $cmd -command [list [subst $action]]] -side left
3246	}
3247	}
3248
3249	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3250	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3251	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3252
3253	# make the phase pane
3254	MakePhasePane
3255	# and the rest of the windows w/o BWidget
3256	if !$expgui(haveBW) {
3257	MakeHistPane
3258	MakeScalingPane
3259	MakeProfilePane
3260	}
3261
3262	# handle indirect exits
3263	wm protocol . WM_DELETE_WINDOW catchQuit
3264	bind . <Control-c> catchQuit
3265
3266	set expgui(curPhase) ""
3267	set expgui(pagenow) ""
3268	set expgui(curhist) {}
3269	set expgui(selectedatomlist) {}
3270
3271	loadexp $expgui(expfile)
3272
3273	# select the 1st phase
3274	SelectOnePhase [lindex $expmap(phaselist) 0]
3275	# select the first histogram in the list by default (if there are any)
3276	if {[llength $expmap(histlistboxcontents)] > 0} {
3277	set expgui(curhist) 0
3278	} else {
3279	set expgui(curhist) {}
3280	}
3281
3282	# execute any local commands for final initialization
3283	eval $expgui(initstring)
3284
3285	# resize the notebook to fit all the tabs and the largest page
3286	ResizeNotebook
3287
3288	RaisePage lsFrame
3289	if {[CountHistory] > 100} {
3290	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3291	}

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