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source: trunk/expgui @ 262

Last change on this file since 262 was 262, checked in by toby, 14 years ago
# on 2000/08/14 16:28:34, toby did: eliminate phase flag box if only 1 phase is present
Property rcs:author set to `toby` Property rcs:date set to `2000/08/14 16:28:34` Property rcs:lines set to `+6 -7` Property rcs:rev set to `1.32` Property rcs:state set to `Exp` Property svn:keywords set to `Author Date Revision Id`
File size: 116.9 KB

Line
1	#!/usr/local/bin/wish
2	# $Id: expgui 262 2009-12-04 23:03:07Z toby $
3	set expgui(Revision) {$Revision: 262 $ $Date: 2009-12-04 23:03:07 +0000 (Fri, 04 Dec 2009) $}
4
5	# to do:
6	#
7	# need to change heading and button label depending on where getExpFileName
8	# is called from?
9	#
10	# global background editing & profile work differently: should both
11	# start out blank with a "load from option"?
12	#
13	# idea:
14	# a scroll list for all histogram refinement flags ; click on takes you to the
15	# appropriate menu.
16	#
17	# idea:
18	# change cell parameters to labels and have a edit cell button
19	# that enforces metric symmetry
20	#
21	# to allow "global" access on phase page
22	# change buttons from radio to multiple
23	# -- or display all 9 cell flag/damps and all atoms
24	# make editMultipleRecords work with multiple phases, also cell flag/damp
25	# blank cell entries
26	# add phase to atom number in listing
27	# DisplayAllAtoms needs to loop over phases: expgui(curPhase)
28	#
29	# idea: load more than one bank from a multi-bank .RAW file
30	#
31	if {$tcl_version < 8.0} {
32	tk_dialog .expFileErrorMsg "Version Error" \
33	"The program requires Tcl/Tk version 8.0 or higher" error 0 "Exit"
34	exit
35	}
36
37	if {$argv != ""} {
38	set expgui(expfile) $argv
39	if {[string toupper [file extension $expgui(expfile)]] != ".EXP"} {
40	append expgui(expfile) ".EXP"
41	}
42	} else {
43	set expgui(expfile) {}
44	}
45
46	set expgui(curhist) {}
47	set expmap(powderlist) {}
48
49	set expgui(debug) 0
50	catch {if $env(DEBUG) {set expgui(debug) 1}}
51	#set expgui(debug) 1
52
53	# default for archive mode = on
54	set expgui(archive) 1
55	# default for autoexec load = off
56	set expgui(autoexpload) 0
57	# save the name of the wish executable
58	set wishshell [info nameofexecutable]
59	# misc constants
60	set txtvw(font) "Courier"
61	set expgui(coordfont) "--courier-bold-r-normal--12-"
62	set expgui(histfont) "--courier-bold-r-normal--12-"
63	set liveplot(hst) 1
64	set liveplot(legend) 1
65	set expgui(filesort) 1
66	set expgui(initstring) {}
67	# use a separate window for DISAGL (default)
68	set expgui(disaglSeparateBox) 1
69	set expgui(DefaultPeakType) 0
70	#=============================================================================
71	#----------------------------------------------------------------
72	# where are we?
73	set expgui(script) [info script]
74	# translate links -- go six levels deep
75	foreach i {1 2 3 4 5 6} {
76	if {[file type $expgui(script)] == "link"} {
77	set link [file readlink $expgui(script)]
78	if { [file pathtype $link] == "absolute" } {
79	set expgui(script) $link
80	} {
81	set expgui(script) [file dirname $expgui(script)]/$link
82	}
83	} else {
84	break
85	}
86	}
87	# fixup relative paths
88	if {[file pathtype $expgui(script)] == "relative"} {
89	set expgui(script) [file join [pwd] $expgui(script)]
90	}
91	set expgui(scriptdir) [file dirname $expgui(script) ]
92	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
93	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
94	#----------------------------------------------------------------
95	lappend auto_path $expgui(scriptdir)
96	set expgui(havetix) 0
97	set expgui(haveBW) 1
98	# for debugging non-BWidget version set environment variable NOBWIDGET
99	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
100	if $expgui(haveBW) {
101	if [catch {package require BWidget}] {set expgui(haveBW) 0}
102	}
103	# get the notebook widget if not using BWidgets
104	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
105	#----------------------------------------------------------------
106	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
107	source [file join $expgui(scriptdir) opts.tcl]
108	}
109	# fetch EXP file processing routines
110	source [file join $expgui(scriptdir) readexp.tcl]
111	# commands for running GSAS programs
112	source [file join $expgui(scriptdir) gsascmds.tcl]
113	# contents of GSAS menus
114	source [file join $expgui(scriptdir) gsasmenu.tcl]
115	# commands for adding phases, histograms & atoms
116	source [file join $expgui(scriptdir) addcmds.tcl]
117	# commands for preferred orientation
118	source [file join $expgui(scriptdir) orient.tcl]
119	#---------------------------------------------------------------------------
120	# override options with locally defined values
121	if [file exists [file join $expgui(scriptdir) localconfig]] {
122	source [file join $expgui(scriptdir) localconfig]
123	}
124	if [file exists [file join ~ .gsas_config]] {
125	source [file join ~ .gsas_config]
126	}
127	if {$tcl_platform(platform) == "windows"} {
128	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
129	} else {
130	set expgui(exptool) [file join $expgui(gsasexe) exptool]
131	}
132	#---------------------------------------------------------------------------
133	if {$expgui(expfile) != ""} {
134	if ![file exists $expgui(expfile)] {
135	update
136	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
137	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
138	error 0 "Create" "Open other"]
139	if $ans {set expgui(expfile) {}}
140	}
141	}
142	if {$expgui(expfile) == ""} {
143	# center the parent window because the getExpFileName window
144	# will be centered above it.
145	wm withdraw .
146	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
147	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
148	wm geom . +$x+$y
149	wm deiconify .
150	# windows needed this update before when using tk_getOpenFile.
151	# I am not sure it is still needed.
152	update
153	#
154	set expgui(expfile) [getExpFileName old]
155	}
156	if {$expgui(expfile) == ""} exit
157	# you've been warned this .EXP does not exist!
158	if ![file exists $expgui(expfile)] {
159	# create an "empty" exp file
160	createexp $expgui(expfile) \
161	[getstring "title for experiment $expgui(expfile)" 60 0]
162	}
163	catch {cd [string trim [file dirname $expgui(expfile)]]}
164
165	#
166	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
167	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
169	# load exp file and set up dialogs
170	proc loadexp {expfile} {
171	global expgui expmap entryvar entrycmd tcl_platform
172	set exploadtime [time {set fmt [expload $expfile]}]
173	if $expgui(debug) {puts "expload $exploadtime"}
174	# if the file was not in the correct format, force a rewrite before use
175	if {$fmt < 0} {
176	# read error
177	return
178	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
179	set expgui(changed) 1
180	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
181	set expgui(changed) 1
182	} else {
183	set expgui(changed) 0
184	}
185
186	# force exp files to be upper case, force save if name changes
187	set filetail [file tail $expfile]
188	set filetailcaps [string toupper $filetail]
189	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
190	set expgui(changed) 1
191	}
192	if {[file dirname $expfile] == "."} {
193	set expgui(expfile) $filetailcaps
194	} else {
195	set expgui(expfile) [file join \
196	[file dirname $expfile] $filetailcaps]
197	}
198
199	mapexp
200	set expgui(expModifiedLast) 0
201	catch {
202	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
203	}
204	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
205	# set the window/icon title
206	wm title . "EXPGUI $expfile"
207	set expgui(titleunchanged) 1
208	wm iconname . [file tail $expfile]
209
210	# set the number of phases on the phase page
211	setphases
212
213	# disable the "global options" that don't make sense based on
214	# which histograms present
215	foreach num {1 2 3 4 5} {
216	set flag($num) 0
217	}
218	# save a list of the allowed modes, too
219	set expgui(AllowedHistSelectModes) {0 6}
220	foreach h $expmap(powderlist) {
221	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
222	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
223	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
224	[histinfo $h lam2] != 0.0} {set flag(3) 1}
225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
226	[histinfo $h lam2] == 0.0} {set flag(4) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
228	}
229	foreach num {1 2 3 4 5} \
230	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
231	"Energy Disp Xray"} {
232	if $flag($num) {
233	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
234	lappend expgui(AllowedHistSelectModes) $num
235	} else {
236	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
237	}
238	}
239	# disable traces on entryvar until we are ready
240	set entrycmd(trace) 0
241	trace vdelete entryvar w entvartrace
242
243	# propogate changes on the least squares page
244	set entryvar(cycles) [expinfo cycles]
245	set entrycmd(cycles) "expinfo cycles"
246	# set expgui(globalmode) 0
247	set expgui(printopt) "Print Options ([expinfo print])"
248	set entryvar(title) [expinfo title]
249	global printopts
250	foreach num [array names printopts] {
251	set entrycmd(printopt$num) "printsetting $num"
252	set entryvar(printopt$num) [printsetting $num]
253	}
254	# enable traces on entryvar
255	set entrycmd(trace) 1
256	trace variable entryvar w entvartrace
257
258	# set fo extraction on LS page
259	SetupExtractHist
260
261	# update the histogram list & update the page
262	sethistlist
263
264	# start checking for external changes
265	afterawhile
266	}
267
268	# called to reread the .EXP file
269	proc rereadexp {expfile} {
270	global expgui
271	if $expgui(changed) {
272	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
273	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
274	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
275	switch $decision {
276	0 { savearchiveexp }
277	1 { }
278	2 { return }
279	}
280	}
281	loadexp $expgui(expfile)
282	}
283
284	proc SaveAsFile {} {
285	global expgui
286	set newexpfile [getExpFileName new]
287	if {$newexpfile == ""} return
288	expwrite $newexpfile
289	set expgui(expfile) $newexpfile
290	catch {cd [string trim [file dirname $expgui(expfile)]]}
291	set expgui(changed) 0
292	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
293	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
294	# set the window/icon title
295	wm title . $expgui(expfile)
296	set expgui(titleunchanged) 1
297	wm iconname . [file tail $expgui(expfile)]
298	}
299
300	# called to read a different .EXP file
301	proc readnewexp {} {
302	global expgui expmap
303	if $expgui(changed) {
304	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
305	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
306	{} 0 "Save and read" "Read without Save" "Cancel read command"]
307	switch $decision {
308	0 { savearchiveexp }
309	1 { }
310	2 { return }
311	}
312	}
313	set newexpfile [getExpFileName old]
314	if {$newexpfile == ""} return
315
316	# switch to the 1st page
317	RaisePage lsFrame
318
319	if ![file exists $newexpfile] {
320	# you've been warned this .EXP does not exist!
321	# create an "empty" exp file
322	createexp $newexpfile \
323	[getstring "title for experiment $newexpfile" 60 0]
324	}
325	set expgui(expfile) $newexpfile
326	catch {cd [string trim [file dirname $expgui(expfile)]]}
327	set expgui(globalmode) 0
328	loadexp $expgui(expfile)
329
330	# select the 1st phase
331	SelectOnePhase [lindex $expmap(phaselist) 0]
332	# select the first histogram in the list by default (if there are any)
333	if {[llength $expmap(histlistboxcontents)] > 0} {
334	set expgui(curhist) 0
335	} else {
336	set expgui(curhist) {}
337	}
338	if {[CountHistory] > 100} {
339	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
340	}
341	}
342
343	#------------- set up data read/write layer ----------------------
344	# trace routine on entryvar
345	proc entvartrace {array elem action} {
346	global expgui entrycmd entryvar
347	if !$entrycmd(trace) return
348
349	catch {
350	if {$entrycmd($elem) == ""} return
351	incr expgui(changed)
352	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
353	if {$entrycmd($elem) == ""} return
354	if [catch {
355	eval $entrycmd($elem) set [list $entryvar($elem)]
356	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
357	after idle {DisplayAllAtoms noreset}
358	}
359	} errmsg] {puts "entvartrace error: $errmsg"}
360	}
361	}
362
363	# disable traces on entryvar until we are ready
364	set entrycmd(trace) 0
365	trace variable entryvar w entvartrace
366
367	#
368	#
369	#
370	##############################################################################
371	##### #####################################################
372	##### PROCEDURES SECTION #####################################################
373	##### #####################################################
374	##############################################################################
375	# reset routine is used for debugging
376	proc reset {} {
377	global expgui script argv
378	set script $expgui(script)
379	set argv $expgui(expfile)
380	# remove traces
381	global entryvar
382	foreach cmd [trace vinfo entryvar] {
383	eval trace vdelete entryvar $cmd
384	}
385	global expgui
386	foreach cmd [trace vinfo expgui(backterms)] {
387	eval trace vdelete entryvar $cmd
388	}
389	foreach cmd [trace vinfo expgui(backtype)] {
390	eval trace vdelete entryvar $cmd
391	}
392	foreach a {
393	expmap expgui entryvar entrycmd
394	expgui_menulist expgui_cmdlist expgui_helplist
395	} {
396	global $a
397	catch {unset $a}
398	}
399	foreach w [winfo children .] {
400	destroy $w
401	}
402
403	uplevel #0 {source $script}
404	}
405
406	# save some of the global options in ~/.gsas_config
407	proc SaveOptions {} {
408	global expgui env tcl_platform
409	set fp [open [file join ~ .gsas_config] a]
410	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
411	puts $fp "set expgui($item) $expgui($item)"
412	}
413	if {$tcl_platform(platform) != "windows"} {
414	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
415	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
416	}
417	close $fp
418	}
419
420	proc About { } {
421	global expgui expmap
422	tk_dialog .about {About...} \
423	"EXPGUI\n\
424	Jonathan Wasserman and Brian Toby\n\
425	NIST Center for Neutron Research\n\n\
426	2000, Not subject to copyright\n\n\
427	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
428	Generalized Structure Analysis System (GSAS)\n\
429	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
430	" \
431	info 0 OK
432	}
433
434	# wait until idle
435	proc afterawhile {} {
436	# cancel any other instances of this loop
437	after cancel afterawhile
438	after cancel whenidle
439	after cancel whenidle
440	after idle whenidle
441	}
442
443	# This is called every 2 seconds to check for changes to the .EXP file
444	proc whenidle {} {
445	global expgui
446	if $expgui(titleunchanged) {
447	if {$expgui(changed) != 0} {
448	wm title . "$expgui(expfile) (modified)"
449	set expgui(titleunchanged) 0
450	}
451	}
452	if {$expgui(expModifiedLast) == 0} {
453	after 2000 afterawhile
454	return
455	}
456	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
457	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
458	if {$ans == 0} {
459	loadexp $expgui(expfile)
460	} elseif {$ans == 1} {
461	# reset the time to the next version
462	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
463	} elseif {$ans == 2} {
464	savearchiveexp
465	}
466	}
467	after 2000 afterawhile
468	}
469
470	# place a message about changes over the main window
471	proc ReloadExpMsg {file changes} {
472	global expgui tcl_platform
473	set msg "File $file has been modified by another program"
474	if {$changes == 1} {
475	append msg " and you have made a change to this version.\n"
476	} elseif {$changes > 0} {
477	append msg " and you have made $changes changes to this version.\n"
478	} else {
479	append msg ".\n"
480	}
481	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
482
483	set w .ask
484	catch {destroy $w}
485	toplevel $w -class Dialog
486	wm title $w "Reload?"
487	wm iconname $w "Reload?"
488	wm protocol $w WM_DELETE_WINDOW { }
489	wm transient $w .
490	frame $w.bot
491	pack $w.bot -side bottom
492	frame $w.top
493	pack $w.top -side top -fill both -expand 1
494	label $w.top.msg -justify left \
495	-wraplength 5i -font {Times 18} \
496	-text $msg
497	if {$tcl_platform(platform) == "windows"} {
498	$w.top.msg config -font {Times 14}
499	}
500	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
501	pack [button $w.bot.1 -text "Load new" \
502	-default active -command "set expgui(dialogbutton) 0" \
503	] -side left -expand 1 -padx 3m -pady 2m
504	pack [button $w.bot.2 -text "Continue with old" \
505	-command "set expgui(dialogbutton) 1"] \
506	-side left -expand 1 -padx 3m -pady 2m
507	if {$changes > 0} {
508	pack [button $w.bot.3 -text "Save edited version" \
509	-command "set expgui(dialogbutton) 2"] \
510	-side left -expand 1 -padx 3m -pady 2m
511	}
512	# Create a binding for <Return> on the dialog
513	bind $w <Return> "tkButtonInvoke $w.bot.1"
514	wm withdraw $w
515	update idletasks
516
517	# for windows put the box in the upper left, for
518	# unix center it over the parent (in unix it appears later)
519	#if {$tcl_platform(platform) == "windows"} {
520	#wm geom $w +0+0
521	#} else {
522
523	# for now, always center the message over the main window
524	# center the new window in the middle of the parent
525	set x [expr [winfo x .] + [winfo width .]/2 - \
526	[winfo reqwidth $w]/2 - [winfo vrootx .]]
527	set y [expr [winfo y .] + [winfo height .]/2 - \
528	[winfo reqheight $w]/2 - [winfo vrooty .]]
529	wm geom $w +$x+$y
530	#}
531	wm deiconify $w
532
533	# Grab the focus
534	set oldFocus [focus]
535	set oldGrab [grab current $w]
536	if {[string compare $oldGrab ""]} {
537	set grabStatus [grab status $oldGrab]
538	}
539	grab $w
540	focus $w.bot.1
541	# for windows rearrange window stacking
542	if {$tcl_platform(platform) == "windows"} {
543	lower .
544	raise $w .
545	}
546	update idletasks
547
548	tkwait variable expgui(dialogbutton)
549	catch {focus $oldFocus}
550	destroy $w
551	if {[string compare $oldGrab ""]} {
552	if {![string compare $grabStatus "global"]} {
553	grab -global $oldGrab
554	} else {
555	grab $oldGrab
556	}
557	}
558	raise .
559	return $expgui(dialogbutton)
560	}
561
562	# -------- called to confirm before exiting
563	proc catchQuit {} {
564	if {[confirmBeforeSave] == "Continue"} {
565	destroy .
566	}
567	}
568	# save the .EXP file before exiting?
569	proc confirmBeforeSave {} {
570	global expgui
571	if !$expgui(changed) {
572	return "Continue"
573	}
574	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
575	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
576	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
577	switch $decision {
578	0 { savearchiveexp; return "Continue" }
579	1 { return "Continue" }
580	2 { return "Cancel" }
581	}
582	}
583
584	proc archiveexp {} {
585	global expgui tcl_platform
586	# is there a file to archive
587	if {![file exists $expgui(expfile)]} return
588	catch {
589	set expnam [file rootname $expgui(expfile)]
590	if {$tcl_platform(platform) == "windows"} {
591	set version -1
592	catch {source $expnam.version}
593	incr version
594	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
595	# archive w/o pkzip
596	set file $expnam![format "%3.3d" $version].EXP
597	file copy -force $expnam.EXP $file
598	set fp [open $expnam.lst a]
599	puts $fp "\n--------------------------------------------------------------"
600	puts $fp "Archiving $expnam.EXP as $file"
601	puts $fp "--------------------------------------------------------------\n"
602	close $fp
603	} else {
604	# archive with PKZIP
605	# need to limit expnam to 8 characters
606	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
607	# PKZIP can't handle long dir names either
608	cd [set dir [file dirname $expnam]]
609	set file $sexp.[format "%3.3d" $version]
610	file copy -force $expnam.EXP $file
611	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
612	set fp [open $expnam.lst a]
613	puts $fp "\n--------------------------------------------------------------"
614	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
615	puts $fp "--------------------------------------------------------------\n"
616	close $fp
617	}
618	set fp [open $expnam.version w]
619	puts $fp "set version $version"
620	close $fp
621	} else {
622	set files [glob -nocomplain $expnam.EXP.*]
623	if {$files == ""} {
624	set file $expnam.EXP.000
625	} else {
626	set file [lindex [lsort -decreasing $files] 0]
627	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
628	incr number
629	set file $expnam.EXP.[format "%3.3d" $number]
630	}
631	file copy $expgui(expfile) $file
632	if [catch {exec gzip $file}] {
633	exec echo "\n----------------------------------------------" >> $expnam.LST
634	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
635	exec echo "----------------------------------------------\n" >> $expnam.LST
636	} else {
637	exec echo "\n----------------------------------------------" >> $expnam.LST
638	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
639	exec echo "----------------------------------------------\n" >> $expnam.LST
640	}
641	}
642	} errmsg
643	if {$errmsg != ""} {
644	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
645	}
646	}
647
648	# save and optionally archive the expfile
649	proc savearchiveexp {} {
650	global expgui expmap
651	if !$expgui(changed) return
652	if $expgui(archive) archiveexp
653	# add a history record
654	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
655	# now save the file
656	expwrite $expgui(expfile)
657	set expgui(changed) 0
658	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
659	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
660	wm title . $expgui(expfile)
661	set expgui(titleunchanged) 1
662	}
663
664	# setup buttons for each phase on the phase page
665	proc setphases {} {
666	global expgui expmap
667	eval destroy [winfo children $expgui(phaseFrame).top.ps]
668	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
669	foreach num $expmap(phaselist) type $expmap(phasetype) {
670	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
671	-command "SelectOnePhase $num" -padx 1.5m] -side left
672	if {$type > 3} {
673	$expgui(phaseFrame).top.ps.$num config -state disabled
674	}
675	}
676	if {[file executable $expgui(exptool)] && \
677	[llength $expmap(phaselist)]} {
678	pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
679	-padx 1.5m -command MakeAddPhaseBox] -side left
680	}
681	}
682
683	# Procedure to respond to changes the phase.
684	# This loads the "phases" widgets with data corresponding to the selected phase.
685	proc SelectOnePhase {num} {
686	global entryvar entrycmd expmap expgui
687	set crsPhase {}
688	$expgui(atomxform) config -text "Xform Atoms" -state disabled
689	foreach n $expmap(phaselist) type $expmap(phasetype) {
690	if {$n == $num && $type <= 3} {
691	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
692	set crsPhase $num
693	if {$type == 3} {
694	set expgui(phasetype) "Magnetic\nOnly"
695	} elseif {$type == 2} {
696	set expgui(phasetype) "Magnetic\n& Nuclear"
697	} elseif {$type == 4} {
698	# this is not used at present
699	set expgui(phasetype) "Macromolecular"
700	} else {
701	set expgui(phasetype) ""
702	}
703	} else {
704	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
705	}
706	}
707	# no phase is selected
708	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
709	# disable traces on entryvar
710	set entrycmd(trace) 0
711	set entrycmd(phasename) ""
712	set entryvar(phasename) ""
713	foreach ent {a b c alpha beta gamma cellref celldamp} {
714	set entrycmd($ent) ""
715	set entryvar($ent) ""
716	}
717	set expgui(curPhase) {}
718	# enable traces on entryvar
719	set entrycmd(trace) 1
720	$expgui(EditingAtoms) config -text ""
721	DisplayAtom 0 0
722	DisplayU 0 0
723	DisplayRefFlags 0 0
724	$expgui(atomlistbox) delete 0 end
725	return
726	}
727
728	set expgui(curPhase) $crsPhase
729	# we have a phase
730
731	# disable traces on entryvar for right now
732	set entrycmd(trace) 0
733
734	##########################################################
735	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
736	##########################################################
737	# phase title
738	set entrycmd(phasename) "phaseinfo $crsPhase name"
739	set entryvar(phasename) [phaseinfo $crsPhase name]
740	# cell parameters & flags
741	foreach ent {a b c alpha beta gamma cellref celldamp} {
742	set entrycmd($ent) "phaseinfo $crsPhase $ent"
743	set entryvar($ent) [phaseinfo $crsPhase $ent]
744	}
745
746	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
747	# initialize to diasbled
748	DisplayAtom 0 0
749	DisplayU 0 0
750	DisplayRefFlags 0 0
751	$expgui(EditingAtoms) config -text ""
752
753	DisplayAllAtoms
754
755	# enable traces on entryvar now
756	set entrycmd(trace) 1
757	}
758
759	set expgui(noreenterDisplayAllAtoms) 0
760	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
761	proc DisplayAllAtoms {"mode reset"} {
762	global entryvar entrycmd expmap expgui
763	# if it does not show, dont bother
764	if {$expgui(pagenow) != "phaseFrame"} return
765	if {$expgui(curPhase) == ""} return
766	if $expgui(noreenterDisplayAllAtoms) return
767
768	set expgui(noreenterDisplayAllAtoms) 1
769	if {$mode != "reset"} {
770	# save the scrolled position
771	set pos [lindex [$expgui(atomlistbox) yview] 0]
772	} else {
773	# this is a reset -- clear the selected atoms list
774	set expgui(selectedatomlist) {}
775	}
776	$expgui(atomlistbox) delete 0 end
777	# loop over atoms
778	set maxline I
779	set phase $expgui(curPhase)
780	set atomlist {}
781	set typehead "type "
782	set namehead " name "
783	set multhead "Mult"
784	set coordhead " "
785	set frachead "Occupancy"
786	if {$expgui(asorttype) == "type"} {
787	# sort on atom type
788	set typehead "type* "
789	foreach atom $expmap(atomlist_$phase) {
790	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
791	}
792	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
793	} elseif {$expgui(asorttype) == "number"} {
794	# sort on atom number
795	set namehead "* name "
796	foreach atom $expmap(atomlist_$phase) {
797	lappend atomlist "$atom $atom $phase"
798	}
799	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
800	} elseif {$expgui(asorttype) == "mult"} {
801	# sort on atom number
802	set multhead "Mlt*"
803	foreach atom $expmap(atomlist_$phase) {
804	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
805	}
806	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
807	} elseif {$expgui(asorttype) == "occupancy"} {
808	# sort on atom number
809	set frachead " Occup* "
810	foreach atom $expmap(atomlist_$phase) {
811	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
812	}
813	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
814	} elseif {$expgui(asorttype) == "x"} {
815	# sort on x
816	set coordhead "(x*)"
817	foreach atom $expmap(atomlist_$phase) {
818	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
819	}
820	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
821	} elseif {$expgui(asorttype) == "y"} {
822	# sort on y
823	set coordhead "(y*)"
824	foreach atom $expmap(atomlist_$phase) {
825	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
826	}
827	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
828	} elseif {$expgui(asorttype) == "z"} {
829	# sort on z
830	set coordhead "(z*)"
831	foreach atom $expmap(atomlist_$phase) {
832	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
833	}
834	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
835	} else {
836	error "Bad expgui(asorttype) = $expgui(asorttype)"
837	}
838
839	foreach tuple $expmap(atomlistboxcontents) {
840	set atom [lindex $tuple 0]
841	set phase [lindex $tuple 2]
842	set refflag {}
843	foreach type {x u f} {
844	if {[atominfo $phase $atom ${type}ref]} {
845	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
846	} else {
847	append refflag " [atominfo $phase $atom ${type}damp] "
848	}
849	}
850	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
851	$atom \
852	[atominfo $phase $atom label] \
853	[atominfo $phase $atom type] \
854	$refflag \
855	[atominfo $phase $atom x] \
856	[atominfo $phase $atom y] \
857	[atominfo $phase $atom z] \
858	[atominfo $phase $atom mult] \
859	[atominfo $phase $atom frac]
860	]
861
862	# add temperature factors (iso/anoiso)
863	if {[atominfo $phase $atom temptype] == "A"} {
864	set maxline A
865	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
866	[atominfo $phase $atom U11] \
867	[atominfo $phase $atom U22] \
868	[atominfo $phase $atom U33] \
869	[atominfo $phase $atom U12] \
870	[atominfo $phase $atom U23] \
871	[atominfo $phase $atom U13]
872	]
873	} else {
874	append line [format " %9.5f" \
875	[atominfo $phase $atom Uiso]
876	]
877	}
878	$expgui(atomlistbox) insert end $line
879	}
880	$expgui(atomtitle) delete 0 end
881	if {$maxline == "A"} {
882	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
883	$namehead $typehead "ref/damp " \
884	"fractional coordinates$coordhead" \
885	"$multhead $frachead" \
886	" Uiso/Uij "]
887	} else {
888	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
889	$namehead $typehead "ref/damp " \
890	"fractional coordinates$coordhead" \
891	"$multhead $frachead" \
892	" Uiso"]
893	}
894	if {$mode != "reset"} {
895	# restore the selected items
896	foreach i $expgui(selectedatomlist) {
897	$expgui(atomlistbox) selection set $i
898	}
899	# restore the last scrolled position
900	$expgui(atomlistbox) yview moveto $pos
901	}
902	set expgui(noreenterDisplayAllAtoms) 0
903	}
904
905	# Procedure to select all atoms in response to a right-click
906	proc SelectAllAtoms {} {
907	global expgui
908	$expgui(atomlistbox) selection set 0 end
909	# call editRecord in case trace was called before the selection was made
910	editRecord
911	}
912
913	# Procedure to respond to left mouse release in the atoms Pane
914	proc editRecord { args } {
915	global entrycmd expgui
916	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
917	# disable traces on entryvar for right now
918	set entrycmd(trace) 0
919
920	if {[llength $expgui(selectedatomlist)] == 0} {
921	if $expgui(debug) {error "Attempt display non-existent atoms"}
922	} elseif {[llength $expgui(selectedatomlist)] == 1} {
923	editOneRecord $expgui(selectedatomlist)
924	} else {
925	editMultipleRecords $expgui(selectedatomlist)
926	}
927	# reenable traces on entryvar
928	set entrycmd(trace) 1
929	# repaint the atoms box in case anything was changed
930	# DisplayAllAtoms noreset
931	}
932
933	proc editOneRecord { AtomIndex } {
934	global expmap expgui
935	# get atom number & phase
936	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
937	set atomnum [lindex $tuple 0]
938	set p [lindex $tuple 2]
939	DisplayU $atomnum $p
940	DisplayAtom $atomnum $p
941	DisplayRefFlags $atomnum $p
942	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
943	$expgui(atomxform) config -text "Xform Atom" -state normal
944	}
945
946	# this will not work for a multi-phase list of atoms (yet)
947	proc editMultipleRecords { AtomIndexList } {
948	global expmap expgui
949	set numberList {}
950	# current phase
951	set p $expgui(curPhase)
952	foreach AtomIndex $AtomIndexList {
953	# get atom number & phase
954	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
955	lappend numberList [lindex $tuple 0]
956	# set p [lindex $tuple 2]
957	}
958	# this needs to track by phase
959	$expgui(EditingAtoms) config -text \
960	"Set refinement options: atoms [CompressList $numberList]"
961	DisplayU 0 0
962	DisplayAtom 0 0
963	# this needs to track by phase
964	DisplayRefFlags $numberList $p
965	$expgui(atomxform) config -text "Xform Atoms" -state normal
966	}
967
968	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
969	# becomes "1-4,6,7,13-15,19"
970	proc CompressList {numberList} {
971	# format the number list to save space
972	set lastnum -99
973	set flist {}
974	set count 0
975	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
976	foreach num $sortlist {
977	set next [expr $lastnum+1]
978	if {$num != $next} {
979	if {$count == 0 && $flist != ""} {
980	append flist ",$num"
981	} elseif {$count == 1 && $flist != ""} {
982	append flist ",$lastnum,$num"
983	} elseif {$flist != ""} {
984	append flist "-$lastnum,$num"
985	} else {
986	append flist "$num"
987	}
988	set lastnum $num
989	set count 0
990	} else {
991	incr count
992	incr lastnum
993	}
994	}
995	if {$count == 1 && $flist != ""} {
996	append flist ",$lastnum"
997	} elseif {$flist != "" && $count > 1} {
998	append flist "-$lastnum"
999	}
1000	return $flist
1001	}
1002
1003	# Procedure to display Isotropic or Anisotropic temperature factors
1004	# Changes the display to one entry widget for Isotropic motion OR
1005	# 6 entry widgets for Anisotropic motion in Frame3.
1006	# or disables the widet entirly if atom = 0
1007	proc DisplayU { atomnum p} {
1008	global expgui entryvar entrycmd
1009	if {$atomnum == 0} {
1010	set iOrA disable
1011	} else {
1012	set iOrA [atominfo $p $atomnum temptype]
1013	}
1014
1015	set firstbox [lindex $expgui(anisolabels) 0]
1016	if { $iOrA == "A" } {
1017	$firstbox config -text "U11 "
1018	foreach item $expgui(anisolabels) {
1019	$item config -fg black
1020	}
1021	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1022	set entrycmd($var) "atominfo $p $atomnum $var"
1023	set entryvar($var) [eval $entrycmd($var)]
1024	$item config -fg black -state normal -bg white
1025	}
1026	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1027	foreach item $expgui(anisolabels) {
1028	# $item config -fg grey
1029	$item config -fg beige
1030	}
1031	foreach item [lrange $expgui(anisoentry) 1 end] \
1032	var {U22 U33 U12 U13 U23} {
1033	set entrycmd($var) ""
1034	set entryvar($var) ""
1035	$item config -fg beige -bg beige -state disabled
1036	}
1037	if { $iOrA == "disable"} {
1038	set entrycmd($var) ""
1039	set entryvar($var) ""
1040	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1041	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1042	} else {
1043	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1044	set entryvar(U11) [eval $entrycmd(U11)]
1045	$firstbox config -text Uiso -fg black
1046	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1047	}
1048	}
1049	}
1050
1051	# need to think about multiple phases
1052
1053	# Procedure to display refinement flags
1054	proc DisplayRefFlags { atomnum p} {
1055	global expgui entryvar entrycmd
1056	if {$atomnum == 0} {
1057	foreach label $expgui(atomreflbl) {
1058	$label config -fg beige
1059	}
1060	foreach entry $expgui(atomref) {
1061	$entry config -state disabled -fg beige -bg beige
1062	}
1063	return
1064	}
1065	foreach label $expgui(atomreflbl) {
1066	$label config -fg black
1067	}
1068	foreach entry $expgui(atomref) {
1069	$entry config -state normal -fg black -bg beige
1070	}
1071	foreach var {xref uref fref xdamp udamp fdamp} {
1072	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1073	set entryvar($var) [eval $entrycmd($var)]
1074	}
1075	}
1076
1077	# Procedure to display an atom in the atom edit boxes
1078	proc DisplayAtom { atomnum p} {
1079	global expgui entryvar entrycmd
1080	if {$atomnum == 0} {
1081	foreach label $expgui(atomlabels) {
1082	$label config -fg beige
1083	}
1084	foreach entry $expgui(atomentry) {
1085	$entry config -state disabled -fg beige -bg beige
1086	}
1087	return
1088	}
1089	foreach label $expgui(atomlabels) {
1090	$label config -fg black
1091	}
1092	foreach entry $expgui(atomentry) {
1093	$entry config -state normal -fg black -bg white
1094	}
1095	foreach var {x y z label frac } {
1096	set entrycmd($var) "atominfo $p $atomnum $var"
1097	set entryvar($var) [eval $entrycmd($var)]
1098	}
1099	}
1100
1101	# make a histogram box; used in MakeHistPane,
1102	proc MakeHistBox {frm} {
1103	global expgui
1104	grid [label $frm.mode -text "Select a Histogram" \
1105	-bg beige -anchor center] \
1106	-row 0 -column 0 -columnspan 2 -sticky ew
1107	bind $frm.mode <Button-1> {
1108	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1109	set expgui(globalmode) [lindex \
1110	"$expgui(AllowedHistSelectModes) \
1111	$expgui(AllowedHistSelectModes)" [incr i]]
1112	sethistlist
1113	}
1114	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1115	grid [listbox $frm.title -height 1 -relief flat \
1116	-exportselection 0 \
1117	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1118	grid [listbox $frm.lbox -height 10 -width 25 \
1119	-exportselection 0 \
1120	-font $expgui(histfont) \
1121	-xscrollcommand "$frm.x set" \
1122	-yscrollcommand "$frm.y set" \
1123	] -row 2 -column 0 -sticky news
1124	lappend expgui(HistSelectList) $frm
1125	grid [scrollbar $frm.x -orient horizontal \
1126	-command "move2boxes \" $frm.title $frm.lbox \" "
1127	] -row 3 -column 0 -sticky ew
1128	grid [scrollbar $frm.y \
1129	-command "$frm.lbox yview"] \
1130	-row 2 -column 1 -sticky ns
1131	grid columnconfigure $frm 0 -weight 1
1132	grid rowconfigure $frm 2 -weight 1
1133	}
1134
1135	# update the histogram list
1136	# to do: show histogram ref flags?
1137	proc sethistlist {} {
1138	global expgui expmap
1139	array set lbl {
1140	1 "Select 1 or more\nTOF Histograms"
1141	2 "Select 1 or more\nCW Neutron Histograms"
1142	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1143	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1144	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1145	6 "Select 1 or more of\n any type Histograms"
1146	}
1147	foreach lbox $expgui(HistSelectList) {
1148	$lbox.title delete 0 end
1149	$lbox.lbox delete 0 end
1150	if {$expgui(globalmode) != 0} {
1151	$lbox.lbox config -selectmode extended
1152	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1153	} else {
1154	$lbox.lbox config -selectmode browse
1155	$lbox.mode config -text "Select a histogram" -bg beige
1156	}
1157	}
1158	# disable the unallowed pages in all mode
1159	if {$expgui(globalmode) == 6} {
1160	foreach pair $expgui(GlobalModeAllDisable) {
1161	if {$expgui(pagenow) == [lindex $pair 0]} {
1162	RaisePage lsFrame
1163	}
1164	eval [lindex $pair 1] -state disabled
1165	}
1166	} else {
1167	foreach pair $expgui(GlobalModeAllDisable) {
1168	eval [lindex $pair 1] -state normal
1169	}
1170	}
1171	set histlist {}
1172	if {$expgui(hsorttype) == "type"} {
1173	# sort on histogram type
1174	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1175	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1176	}
1177	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1178	} elseif {$expgui(hsorttype) == "number"} {
1179	# sort on histogram number
1180	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1181	lappend histlist "$h $h"
1182	}
1183	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1184	} elseif {$expgui(hsorttype) == "bank"} {
1185	# sort on original bank number
1186	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1187	lappend histlist "$h [histinfo $h bank]"
1188	}
1189	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1190	} elseif {$expgui(hsorttype) == "angle"} {
1191	# sort on wavelength (CW) or angle (E disp.)
1192	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1193	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1194	set det [format %8.2f [histinfo $h tofangle]]
1195	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1196	set det [format %8.5f [histinfo $h lam1]]
1197	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1198	set det [format %8.2f [histinfo $h lam1]]
1199	} else {
1200	set det {}
1201	}
1202	lappend histlist "$h $det"
1203	}
1204	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1205	}
1206
1207	# title field needs to match longest title
1208	foreach lbox $expgui(HistSelectList) {
1209	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1210	"h#" \
1211	type \
1212	bank \
1213	"ang/wave" \
1214	" title" \
1215	]
1216	}
1217	foreach tuple $expmap(histlistboxcontents) {
1218	set h [lindex $tuple 0]
1219
1220	if {$expgui(globalmode) == 1} {
1221	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1222	} elseif {$expgui(globalmode) == 2} {
1223	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1224	} elseif {$expgui(globalmode) == 3} {
1225	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1226	[histinfo $h lam2] == 0.0} continue
1227	} elseif {$expgui(globalmode) == 4} {
1228	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1229	[histinfo $h lam2] != 0.0} continue
1230	} elseif {$expgui(globalmode) == 5} {
1231	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1232	}
1233
1234	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1235	set det [format %8.2f [histinfo $h tofangle]]
1236	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1237	set det [format %8.5f [histinfo $h lam1]]
1238	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1239	set det [format %8.2f [histinfo $h lam1]]
1240	} else {
1241	set det {}
1242	}
1243	foreach lbox $expgui(HistSelectList) {
1244	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1245	$h \
1246	[string range $expmap(htype_$h) 1 2] \
1247	[histinfo $h bank] \
1248	$det \
1249	[string range [histinfo $h title] 0 66] \
1250	]
1251	}
1252	}
1253	UpdateCurrentPage
1254	}
1255
1256	proc UpdateCurrentPage {} {
1257	global expgui
1258	foreach set $expgui(frameactionlist) {
1259	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1260	}
1261	}
1262
1263	#-----------------------------------------------------------------------
1264	# ----------- draw Histogram page
1265	#-----------------------------------------------------------------------
1266	proc DisplayHistogram {} {
1267	global expgui entrycmd entryvar expmap
1268
1269	# trap if more than one histogram is selected unless global mode
1270	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1271	set expgui(curhist) [lindex $expgui(curhist) 0]
1272	}
1273
1274	# display the selected histograms
1275	$expgui(histFrame).hs.lbox selection clear 0 end
1276	foreach h $expgui(curhist) {
1277	$expgui(histFrame).hs.lbox selection set $h
1278	}
1279
1280	# disable traces on entryvar for right now
1281	set entrycmd(trace) 0
1282
1283	# get histogram list
1284	set histlist {}
1285	foreach item $expgui(curhist) {
1286	lappend histlist [lindex $expmap(powderlist) $item]
1287	}
1288	# must have at least one histogram selected here
1289	if {[llength $histlist] == 0} {
1290	set expgui(backtermlbl) ""
1291	set expgui(backtypelbl) ""
1292	foreach var {bref bdamp} {
1293	set entrycmd($var) ""
1294	set entryvar($var) ""
1295	}
1296	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1297	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1298	set expgui(bkglbl) ""
1299	eval destroy [winfo children $expgui(diffBox)]
1300	set entrycmd(trace) 1
1301	return
1302	}
1303
1304	if {$expgui(globalmode) != 0} {
1305	set expgui(backtermlbl) ""
1306	set expgui(backtypelbl) ""
1307	foreach var {bref bdamp} {
1308	set entrycmd($var) "histinfo [list $histlist] $var"
1309	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1310	}
1311	} else {
1312	set hist $histlist
1313	set terms [histinfo $hist backterms]
1314	set expgui(backtermlbl) "($terms terms)"
1315	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1316	foreach var {bref bdamp} {
1317	set entrycmd($var) "histinfo $hist $var"
1318	set entryvar($var) [eval $entrycmd($var)]
1319	}
1320	}
1321	# Top box
1322	if $expgui(haveBW) {
1323	catch {destroy $expgui(histFrame).pflag}
1324	}
1325	if {$expgui(globalmode) != 0} {
1326	$expgui(histFrame).top.txt config \
1327	-text "Selected Histograms: [CompressList $histlist]"
1328	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1329	set expgui(bkglbl) "Globally Edit Background"
1330	} else {
1331	grid forget $expgui(histFrame).top
1332	set expgui(bkglbl) "Edit Background"
1333	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1334	TitleFrame $expgui(histFrame).pflag \
1335	-borderwidth 4 -side left -relief groove \
1336	-text "Phase Flags"
1337	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1338	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1339	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1340	foreach p $expmap(phaselist) {
1341	pack [checkbutton $expgui(pflag).$p \
1342	-command "GetPhaseFlags $hist" \
1343	-variable expgui(pflag$p) -text $p] -side left
1344	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1345	set expgui(pflag$p) 0
1346	} else {
1347	set expgui(pflag$p) 1
1348	}
1349	}
1350	}
1351	}
1352
1353	# diffractometer constants
1354	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1355	wref pref dcref daref ratref ttref zref } {
1356	set entrycmd($var) "histinfo [list $histlist] $var"
1357	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1358	}
1359
1360	eval destroy [winfo children $expgui(diffBox)]
1361	if {$expgui(globalmode) == 0} {
1362	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1363	#------
1364	# TOF \|
1365	#------
1366	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1367	-column 1 -row 1
1368	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1369	-column 2 -row 1
1370	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1371	-column 3 -row 1 -sticky w
1372	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1373	-width 15 ] -column 4 -row 1
1374	#
1375	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1376	-column 1 -row 2
1377	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1378	-column 2 -row 2
1379	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1380	-column 3 -row 2
1381	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1382	-width 15 ] -column 4 -row 2
1383	#
1384	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1385	-column 3 -row 3
1386	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1387	-width 15 ] -column 4 -row 3
1388	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1389	-column 1 -row 3 -sticky w
1390	grid [ checkbutton $expgui(diffBox).rfDCzref \
1391	-variable entryvar(zref) ] -column 2 -row 3
1392	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1393	#---------------
1394	# CW - neutron \|
1395	#---------------
1396	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1397	-column 1 -row 1
1398	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1399	-column 2 -row 1
1400	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1401	-column 3 -row 1 -sticky w
1402	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1403	-width 15 ] -column 4 -row 1
1404	#
1405	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1406	-column 1 -row 3 -sticky w
1407	grid [ checkbutton $expgui(diffBox).rfDCzref \
1408	-variable entryvar(zref) ] -column 2 -row 3
1409	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1410	-column 3 -row 3
1411	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1412	-width 15 ] -column 4 -row 3
1413	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1414	[histinfo $hist lam2] == 0.0} {
1415	#--------------------------
1416	# CW - x-ray 1 wavelength \|
1417	#--------------------------
1418	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1419	-column 1 -row 1
1420	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1421	-column 2 -row 1
1422	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1423	-column 3 -row 1 -sticky w
1424	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1425	-width 15 ] -column 4 -row 1
1426	#
1427	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1428	-column 1 -row 3 -sticky w
1429	grid [ checkbutton $expgui(diffBox).rfDCzref \
1430	-variable entryvar(zref) ] -column 2 -row 3
1431	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1432	-column 3 -row 3
1433	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1434	-width 15 ] -column 4 -row 3
1435	#
1436	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1437	-column 1 -row 4 -sticky w
1438	grid [ checkbutton $expgui(diffBox).rfDCpref \
1439	-variable entryvar(pref) ] -column 2 -row 4
1440	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1441	-column 3 -row 4
1442	grid [ entry $expgui(diffBox).eDCpola \
1443	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1444	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1445	-column 5 -row 4
1446	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1447	-textvariable entryvar(ipola)] -column 6 -row 4
1448	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1449	#---------------------------
1450	# CW - x-ray 2 wavelengths \|
1451	#---------------------------
1452	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1453	-column 3 -row 1 -sticky w
1454	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1455	-width 15 ] -column 4 -row 1
1456	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1457	-width 15 ] -column 5 -row 1
1458	#
1459	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1460	-column 1 -row 2 -sticky w
1461	grid [ checkbutton $expgui(diffBox).rfDCrref \
1462	-variable entryvar(ratref) ] -column 2 -row 2
1463	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1464	-column 3 -row 2
1465	grid [ entry $expgui(diffBox).eDCkratio \
1466	-textvariable entryvar(kratio) \
1467	-width 15 ] -column 4 -row 2
1468	#
1469	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1470	-column 3 -row 3
1471	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1472	-width 15 ] -column 4 -row 3
1473	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1474	-column 1 -row 3 -sticky w
1475	grid [ checkbutton $expgui(diffBox).rfDCzref \
1476	-variable entryvar(zref) ] -column 2 -row 3
1477	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1478	-column 1 -row 4 -sticky w
1479	grid [ checkbutton $expgui(diffBox).rfDCpref \
1480	-variable entryvar(pref) ] -column 2 -row 4
1481	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1482	-column 3 -row 4
1483	grid [ entry $expgui(diffBox).eDCpola \
1484	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1485	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1486	-column 5 -row 4
1487	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1488	-textvariable entryvar(ipola)] -column 6 -row 4
1489	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1490	#-------------
1491	# ED - x-ray \|
1492	#-------------
1493	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1494	-column 1 -row 1
1495	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1496	-column 2 -row 1
1497	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1498	-column 3 -row 1 -sticky w
1499	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1500	-width 15 ] -column 4 -row 1
1501	#
1502	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1503	-column 1 -row 4 -sticky w
1504	grid [ checkbutton $expgui(diffBox).rfDCpref \
1505	-variable entryvar(pref) ] -column 2 -row 4
1506	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1507	-column 3 -row 4
1508	grid [ entry $expgui(diffBox).eDCpola \
1509	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1510	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1511	-column 5 -row 4
1512	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1513	-textvariable entryvar(ipola)] -column 6 -row 4
1514	}
1515	} elseif {$expgui(globalmode) == 1} {
1516	#-------------
1517	# Global TOF \|
1518	#-------------
1519	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1520	-column 1 -row 1
1521	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1522	-column 2 -row 1
1523	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1524	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1525	#
1526	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1527	-column 1 -row 2
1528	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1529	-column 2 -row 2
1530	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1531	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1532	#
1533	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1534	-column 1 -row 3 -sticky w
1535	grid [ checkbutton $expgui(diffBox).rfDCzref \
1536	-variable entryvar(zref) ] -column 2 -row 3
1537	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1538	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1539	} elseif {$expgui(globalmode) == 2} {
1540	#--------------------
1541	# Global CW neutron \|
1542	#--------------------
1543	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1544	-column 1 -row 1
1545	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1546	-column 2 -row 1
1547	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1548	-command "editglobalparm histinfo lam1 Wavelength"] \
1549	-column 3 -row 1
1550	#
1551	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1552	-column 1 -row 3 -sticky w
1553	grid [ checkbutton $expgui(diffBox).rfDCzref \
1554	-variable entryvar(zref) ] -column 2 -row 3
1555	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1556	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1557	} elseif {$expgui(globalmode) == 4} {
1558	#----------------------
1559	# Global CW mono xray \|
1560	#----------------------
1561	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1562	-column 1 -row 1
1563	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1564	-column 2 -row 1
1565	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1566	-command "editglobalparm histinfo lam1 Wavelength"] \
1567	-column 3 -row 1
1568	#
1569	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1570	-column 1 -row 3 -sticky w
1571	grid [ checkbutton $expgui(diffBox).rfDCzref \
1572	-variable entryvar(zref) ] -column 2 -row 3
1573	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1574	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1575	#
1576	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1577	-column 1 -row 4 -sticky w
1578	grid [ checkbutton $expgui(diffBox).rfDCpref \
1579	-variable entryvar(pref) ] -column 2 -row 4
1580	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1581	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1582	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1583	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1584	} elseif {$expgui(globalmode) == 3} {
1585	#------------------------
1586	# Global alpha 1,2 xray \|
1587	#------------------------
1588	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1589	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1590	-column 3 -row 1
1591	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1592	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1593	-column 4 -row 1
1594	#
1595	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1596	-column 1 -row 3 -sticky w
1597	grid [ checkbutton $expgui(diffBox).rfDCratref \
1598	-variable entryvar(ratref) ] -column 2 -row 3
1599	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1600	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1601	-column 3 -row 3
1602	#
1603	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1604	-column 1 -row 3 -sticky w
1605	grid [ checkbutton $expgui(diffBox).rfDCzref \
1606	-variable entryvar(zref) ] -column 2 -row 3
1607	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1608	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1609	#
1610	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1611	-column 1 -row 4 -sticky w
1612	grid [ checkbutton $expgui(diffBox).rfDCpref \
1613	-variable entryvar(pref) ] -column 2 -row 4
1614	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1615	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1616	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1617	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1618	} elseif {$expgui(globalmode) == 5} {
1619	#-----------------
1620	# Global ED xray \|
1621	#-----------------
1622	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1623	-column 1 -row 1
1624	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1625	-column 2 -row 1
1626	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1627	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1628	-column 3 -row 1
1629	#
1630	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1631	-column 1 -row 4 -sticky w
1632	grid [ checkbutton $expgui(diffBox).rfDCpref \
1633	-variable entryvar(pref) ] -column 2 -row 4
1634	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1635	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1636	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1637	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1638	}
1639	if {$expgui(globalmode) == 0} {
1640	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1641	-columnspan 2 -sticky e
1642	} else {
1643	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1644	-columnspan 2 -sticky e
1645	}
1646	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1647	-column 1 -row 1
1648	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1649	grid $expgui(diffBox).d.om -column 2 -row 1
1650	grid columnconfigure $expgui(diffBox) 9 -weight 1
1651	grid columnconfigure $expgui(diffBox) 0 -weight 1
1652	update idletasks
1653	# enable traces on entryvar now
1654	set entrycmd(trace) 1
1655	}
1656
1657	# this gets the phase flags as set in the expgui(pflag*) elements
1658	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1659	# accordingly using SetPhaseFlag
1660	proc GetPhaseFlags {hist} {
1661	global expmap expgui
1662	set plist {}
1663	foreach p $expmap(phaselist) {
1664	if {$expgui(pflag$p)} {lappend plist $p}
1665	}
1666	SetPhaseFlag $hist $plist
1667	incr expgui(changed)
1668	mapexp
1669	}
1670
1671	#-----------------------------------------------------------------------
1672	# populate the Scaling page
1673	#-----------------------------------------------------------------------
1674	proc DisplayFrac {} {
1675	global expgui entrycmd entryvar expmap
1676
1677	# trap if more than one histogram is selected unless global mode
1678	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1679	set expgui(curhist) [lindex $expgui(curhist) 0]
1680	}
1681
1682	# display the selected histograms
1683	$expgui(fracFrame).hs.lbox selection clear 0 end
1684	foreach h $expgui(curhist) {
1685	$expgui(fracFrame).hs.lbox selection set $h
1686	}
1687
1688	# disable traces on entryvar
1689	set entrycmd(trace) 0
1690
1691	# get histogram list
1692	set histlist {}
1693	foreach item $expgui(curhist) {
1694	lappend histlist [lindex $expmap(powderlist) $item]
1695	}
1696
1697	# must have at least one histogram selected here
1698	if {[llength $histlist] == 0} {
1699	foreach var {scale sref sdamp} {
1700	set entrycmd($var) ""
1701	set entryvar($var) ""
1702	}
1703	set parm [grid info $expgui(scaleBox).but1]
1704	if {$parm != ""} {
1705	grid forget $expgui(scaleBox).but1
1706	eval grid $expgui(scaleBox).ent1 $parm
1707	}
1708	# destroy the contents of the frame
1709	set phaseFractf1 $expgui(FracBox).f
1710	eval destroy [winfo children $phaseFractf1]
1711	# reenable traces on entryvar
1712	set entrycmd(trace) 1
1713	return
1714	}
1715
1716	#--------------
1717	# Scale factor
1718	#--------------
1719	if {$expgui(globalmode) != 0} {
1720	foreach var {scale sref sdamp} {
1721	set entrycmd($var) "histinfo [list $histlist] $var"
1722	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1723	}
1724	set parm [grid info $expgui(scaleBox).ent1]
1725	if {$parm != ""} {
1726	grid forget $expgui(scaleBox).ent1
1727	eval grid $expgui(scaleBox).but1 $parm
1728	}
1729	} else {
1730	set hist $histlist
1731	foreach var {scale sref sdamp} {
1732	set entrycmd($var) "histinfo $hist $var"
1733	set entryvar($var) [eval $entrycmd($var)]
1734	}
1735	set parm [grid info $expgui(scaleBox).but1]
1736	if {$parm != ""} {
1737	grid forget $expgui(scaleBox).but1
1738	eval grid $expgui(scaleBox).ent1 $parm
1739	}
1740	}
1741
1742	#----------------
1743	# Phase Fractions
1744	#----------------
1745	set phaseFractf1 $expgui(FracBox).f
1746	# destroy the contents of the frame
1747	eval destroy [winfo children $phaseFractf1]
1748	if {$expgui(globalmode) != 0} {
1749	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1750	} else {
1751	set txt "Phase Fractions"
1752	}
1753	if $expgui(haveBW) {
1754	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1755	} else {
1756	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1757	-column 0 -row 0 -sticky news
1758	}
1759	# Create the frame inside the canvas, One frame for each Phase.
1760	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1761	foreach hist $histlist {
1762	foreach i $expmap(phaselist_$hist) {
1763	lappend phasehistlist($i) $hist
1764	}
1765	}
1766	foreach i {1 2 3 4 5 6 7 8 9} {
1767	if {[llength $phasehistlist($i)] == 0} continue
1768	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1769	grid $framePF -column 0 -row $i -sticky ew
1770	# Label Heading for each phase.
1771	if {$expgui(globalmode) != 0} {
1772	grid [label $framePF.l1 \
1773	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1774	-column 0 -row 0 -sticky nws
1775	grid [button $framePF.but1 -text "Set Globally" \
1776	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1777	[list $phasehistlist($i)] $i" \
1778	] -column 1 -row 0
1779	} else {
1780	grid [label $framePF.l1 -text "Phase $i"] \
1781	-column 0 -row 0 -sticky nws
1782	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1783	-column 1 -row 0
1784	}
1785	set entrycmd(frac$i) "hapinfo $hist $i frac"
1786	set entryvar(frac$i) [hapinfo $hist $i frac]
1787	grid [label $framePF.l2 -text " Refine"] \
1788	-column 2 -row 0 -sticky nws
1789	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1790	-column 3 -row 0 -sticky nws
1791	set entrycmd(frref$i) "hapinfo $hist $i frref"
1792	set entryvar(frref$i) [hapinfo $hist $i frref]
1793	grid [label $framePF.l3 -text " Damping"] \
1794	-column 4 -row 0 -sticky nws
1795	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1796	0 1 2 3 4 5 6 7 8 9
1797	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1798	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1799	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1800	}
1801	# resize the scroll window to match the actual
1802	update idletasks
1803	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1804	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1805	update idletasks
1806	# enable traces on entryvar now
1807	set entrycmd(trace) 1
1808	}
1809
1810	#-----------------------------------------------------------------------
1811	# display the profile page
1812	#-----------------------------------------------------------------------
1813	proc DisplayProfile {} {
1814	global expgui entrycmd entryvar expmap
1815
1816	# trap if more than one histogram is selected unless global mode
1817	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1818	set expgui(curhist) [lindex $expgui(curhist) 0]
1819	}
1820	# display the selected histograms
1821	$expgui(profFrame).hs.lbox selection clear 0 end
1822	foreach h $expgui(curhist) {
1823	$expgui(profFrame).hs.lbox selection set $h
1824	}
1825
1826	# destroy the contents of the frame
1827	eval destroy [winfo children $expgui(ProfileBox).f]
1828
1829	if {$expgui(globalmode) == 0} {
1830	# must have at least one histogram selected here
1831	if {[llength $expgui(curhist)] == 0} return
1832	# disable traces on entryvar for right now
1833	set entrycmd(trace) 0
1834	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1835	# no defined histograms?
1836	if {$hist == ""} return
1837	# Create one frame for each Phase.
1838	set ind -1
1839	set htype [string range $expmap(htype_$hist) 2 2]
1840	foreach i $expmap(phaselist_$hist) {
1841	incr ind
1842	# Label Heading for each phase.
1843	set ptype [string trim [hapinfo $hist $i proftype]]
1844	if {$expgui(haveBW)} {
1845	grid [TitleFrame $expgui(ProfileBox).f.$i \
1846	-text "Hist $hist -- Phase $i (type $ptype)" \
1847	-relief groove -bd 2] \
1848	-column 0 -row $ind -sticky ew
1849	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1850	grid [frame $ProfileFrame.1] \
1851	-column 0 -row 0 -columnspan 10
1852	pack [label $ProfileFrame.1.l \
1853	-text Damping]\
1854	-side left
1855	} else {
1856	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1857	-column 0 -row $ind -sticky ew
1858	set ProfileFrame $expgui(ProfileBox).f.$i
1859	grid [frame $ProfileFrame.1] \
1860	-column 0 -row 0 -columnspan 10 -sticky ew
1861	pack [label $ProfileFrame.1.l \
1862	-text "Phase $i (type $ptype) Damping"]\
1863	-side left
1864	}
1865	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1866	0 1 2 3 4 5 6 7 8 9
1867	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1868	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1869	pack $ProfileFrame.1.tkOptDamp -side left
1870	pack [label $ProfileFrame.1.l1 \
1871	-text " Peak cutoff"]\
1872	-side left
1873	pack [entry $ProfileFrame.1.e1 \
1874	-width 10 -textvariable entryvar(pcut_$i)]\
1875	-side left
1876	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1877	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1878
1879	pack [button $ProfileFrame.1.b1 \
1880	-text "Change Type" \
1881	-command "ChangeProfileType $hist $i"]\
1882	-side left
1883
1884	set col -1
1885	set row 1
1886	set nterms [hapinfo $hist $i profterms]
1887	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1888	for { set num 1 } { $num <= $nterms } { incr num } {
1889	set term {}
1890	catch {set term [lindex $lbls $num]}
1891	if {$term == ""} {set term $num}
1892	incr col
1893	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1894	-row $row -column $col
1895	incr col
1896	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1897	-variable entryvar(pref${num}_$i)] -row $row -column $col
1898	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1899	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1900	incr col
1901	grid [entry $ProfileFrame.ent${num}_${i} \
1902	-textvariable entryvar(pterm${num}_$i)\
1903	-width 12] -row $row -column $col
1904	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1905	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1906	if {$col > 6} {set col -1; incr row}
1907	}
1908	}
1909	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1910	} else {
1911	# get histogram list
1912	set histlist {}
1913	foreach item $expgui(curhist) {
1914	lappend histlist [lindex $expmap(powderlist) $item]
1915	}
1916	# must have at least one histogram selected here
1917	if {[llength $histlist] == 0} return
1918	# disable traces on entryvar for right now
1919	set entrycmd(trace) 0
1920	# loop through histograms & phases, set up an array by phase & profile type
1921	catch {unset prtyparray histarray phasearray}
1922	foreach hist $histlist {
1923	foreach phase $expmap(phaselist_$hist) {
1924	set prtyp [string trim [hapinfo $hist $phase proftype]]
1925	set key ${prtyp}_$phase
1926	lappend prtyparray($key) $hist
1927	lappend histarray($key) $hist
1928	lappend phasearray($key) $phase
1929	}
1930	}
1931
1932	set ptype ""
1933	set i -1
1934	# loop over all combined phases and profile types, sorted 1st by profile number
1935	foreach key [lsort [array names prtyparray]] {
1936	# split key
1937	scan $key %d_%d prftyp p
1938
1939	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1940	set ptype $prftyp
1941	set curhistlist $histarray($key)
1942	set curphaslist $phasearray($key)
1943
1944	set hist1 [lindex $curhistlist 0]
1945	set phase1 [lindex $curphaslist 0]
1946	set nterms [hapinfo $hist1 $phase1 profterms]
1947	set htype [string range $expmap(htype_$hist1) 2 2]
1948	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1949	# Create a frame for this type
1950	incr i
1951	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1952	if {$expgui(haveBW)} {
1953	grid [TitleFrame $expgui(ProfileBox).f.$i \
1954	-text "(type $ptype)" \
1955	-relief groove -bd 2] \
1956	-column 0 -row $i -sticky ew
1957	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1958	grid [frame $ProfileFrame.0] \
1959	-column 0 -row 0 -columnspan 20 -sticky ew
1960	} else {
1961	grid [frame $expgui(ProfileBox).f.$i \
1962	-relief groove -bd 4] \
1963	-column 0 -row $i -sticky ew
1964	set ProfileFrame $expgui(ProfileBox).f.$i
1965	grid [frame $ProfileFrame.0] \
1966	-column 0 -row 0 -columnspan 20 -sticky ew
1967	grid [label $ProfileFrame.0.0 \
1968	-text "Profile Type $ptype "] -row 0 -column 0
1969	}
1970	grid [label $ProfileFrame.0.1 \
1971	-anchor w] -row 0 -column 1
1972	grid [frame $ProfileFrame.1] \
1973	-column 0 -row 1 -columnspan 20 -sticky ew
1974	grid [label $ProfileFrame.1.2 \
1975	-text "Damping"] -row 0 -column 2
1976	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1977	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1978	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1979	grid [button $ProfileFrame.1.edit \
1980	-text "Global Edit"] -row 0 -column 4 -sticky w
1981	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1982	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
1983	-row 0 -column 5 -sticky w
1984	set col -1
1985	set row 2
1986	for { set num 1 } { $num <= $nterms } { incr num } {
1987	set term {}
1988	catch {set term [lindex $lbls $num]}
1989	if {$term == ""} {set term $num}
1990	incr col
1991	grid [label $ProfileFrame.l${num}_${i} \
1992	-text "$term"] -row $row -column $col
1993	incr col
1994	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1995	-variable entryvar(pref${num}_$i)] \
1996	-row $row -column $col
1997	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
1998	if {$col > 10} {set col -1; incr row}
1999	}
2000	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2001	} else {
2002	# add to the current entry
2003	eval lappend curhistlist $histarray($key)
2004	eval lappend curphaslist $phasearray($key)
2005	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2006	}
2007	$ProfileFrame.0.1 config -text $boxtitle
2008	$ProfileFrame.1.edit config -command "\
2009	EditProfile \"\n$boxtitle\" \
2010	[list $curhistlist] \
2011	[list $curphaslist]"
2012	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2013	[list $curhistlist] [list $curphaslist]"
2014	set entrycmd(pdamp_$i) "hapinfo \
2015	[list $curhistlist] \
2016	[list $curphaslist] pdamp"
2017	for { set num 1 } { $num <= $nterms } { incr num } {
2018	set entrycmd(pref${num}_$i) "hapinfo \
2019	[list $curhistlist] \
2020	[list $curphaslist] pref$num"
2021	}
2022	}
2023	}
2024
2025	# resize the scroll window to match the actual
2026	update idletasks
2027	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2028	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2029	update idletasks
2030	ResizeNotebook
2031	# enable traces on entryvar now
2032	set entrycmd(trace) 1
2033	}
2034
2035	# process the bit settings in the print options
2036	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2037	proc printsetting {bitnum "action get" "value {}"} {
2038	global entryvar expgui
2039	if {$action == "get"} {
2040	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2041	} elseif $value {
2042	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2043	} else {
2044	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2045	}
2046	expinfo print set $newval
2047	set expgui(printopt) "Print Options ([expinfo print])"
2048	}
2049
2050	# need to respond to mouse presses -- control variable associated with extract Fobs
2051	# and set the LeBail extraction flags
2052	proc SetupExtractHist {} {
2053	global expgui entrycmd entryvar expmap
2054
2055	# display the selected histograms
2056	$expgui(lsFrame).hs.lbox selection clear 0 end
2057	foreach h $expgui(curhist) {
2058	$expgui(lsFrame).hs.lbox selection set $h
2059	}
2060
2061	# get histogram list
2062	set histlist {}
2063	foreach item $expgui(curhist) {
2064	set hist [lindex $expmap(powderlist) $item]
2065	if {$hist != ""} {lappend histlist $hist}
2066	}
2067	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2068	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2069	foreach phase {1 2 3 4 5 6 7 8 9} {
2070	$expgui(FobsExtractFrame).l$phase config -fg grey
2071	set expgui(Fextract$phase) {}
2072	foreach item $expgui(ExtractSettingsRadiobuttons) {
2073	${item}$phase config -state disabled -bd 1
2074	}
2075	}
2076	} elseif {[llength $histlist] == 1} {
2077	# disable traces on entryvar
2078	set entrycmd(trace) 0
2079	set entryvar(fobsextract) [histinfo $histlist foextract]
2080	foreach phase {1 2 3 4 5 6 7 8 9} {
2081	# is the phase present?
2082	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2083	$expgui(FobsExtractFrame).l$phase config -fg grey
2084	set expgui(Fextract$phase) {}
2085	foreach item $expgui(ExtractSettingsRadiobuttons) {
2086	${item}$phase config -state disabled -bd 1
2087	}
2088	} else {
2089	$expgui(FobsExtractFrame).l$phase config -fg black
2090	foreach item $expgui(ExtractSettingsRadiobuttons) {
2091	${item}$phase config -state normal -bd 2
2092	}
2093	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2094	}
2095	}
2096	} elseif {[llength $histlist] > 1} {
2097	# disable traces on entryvar
2098	set entrycmd(trace) 0
2099	# multiple histograms need phases in any histogram
2100	foreach phase {1 2 3 4 5 6 7 8 9} {
2101	set gotphase($phase) 0
2102	}
2103	foreach hist $histlist {
2104	foreach phase $expmap(phaselist_$hist) {
2105	set gotphase($phase) 1
2106	}
2107	}
2108	foreach phase {1 2 3 4 5 6 7 8 9} {
2109	set expgui(Fextract$phase) {}
2110	if $gotphase($phase) {
2111	$expgui(FobsExtractFrame).l$phase config -fg black
2112	foreach item $expgui(ExtractSettingsRadiobuttons) {
2113	${item}$phase config -state normal -bd 2
2114	}
2115	} else {
2116	$expgui(FobsExtractFrame).l$phase config -fg grey
2117	foreach item $expgui(ExtractSettingsRadiobuttons) {
2118	${item}$phase config -state disabled -bd 1
2119	}
2120	}
2121	}
2122	}
2123	# reenable traces
2124	set entrycmd(trace) 1
2125	}
2126	# respond to a change in the fobs extraction method for a phase
2127	# force the main extraction flag on, if fobs extraction is selected for any phase
2128	proc HistExtractSet {phase} {
2129	global expgui entryvar expmap
2130	foreach item $expgui(curhist) {
2131	lappend histlist [lindex $expmap(powderlist) $item]
2132	}
2133	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2134	incr expgui(changed)
2135	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2136	}
2137	#---------------------------- Global Edit Functions ------------------------
2138	proc editbackground {} {
2139	global expgui expmap entrycmd
2140	set histlist {}
2141	foreach n $expgui(curhist) {
2142	lappend histlist [lindex $expmap(powderlist) $n]
2143	}
2144	if {[llength $histlist] == 0} return
2145
2146	set w .back
2147	catch {destroy $w}
2148	toplevel $w -bg beige
2149	if {$expgui(globalmode) != 0} {
2150	wm title $w "Global Edit Background"
2151	} else {
2152	wm title $w "Edit Background"
2153	}
2154
2155	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2156	] -side top -expand yes -fill both
2157	if {[llength $histlist] > 1} {
2158	grid [label $w.0.a \
2159	-text "Setting background terms for histograms [CompressList $histlist]" \
2160	-bg beige] -row 0 -column 0 -columnspan 10
2161	} else {
2162	grid [label $w.0.a \
2163	-text "Setting background terms for histogram $histlist" \
2164	-bg beige] -row 0 -column 0 -columnspan 10
2165	}
2166	set hist [lindex $histlist 0]
2167	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2168
2169	# disable traces on expgui(backtype) & expgui(backterms) now
2170	set entrycmd(trace) 0
2171
2172	# number of terms
2173	set expgui(backtype) [histinfo $hist backtype]
2174	set expgui(orig_backtype) $expgui(backtype)
2175	set expgui(prev_backtype) $expgui(backtype)
2176	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2177	$typemenu delete 0 end
2178	foreach item {
2179	"1 - Shifted Chebyshev"
2180	"2 - Cosine Fourier series"
2181	"3 - Radial distribution peaks"
2182	"4 - Power series in Q**2n/n!"
2183	"5 - Power series in n!/Q**2n"
2184	"6 - Power series in Q2n/n! and n!/Q2n"
2185	"7 - Linear interpolation function"
2186	"8 - Reciprocal interpolation function"
2187	} {
2188	set val [lindex $item 0]
2189	$typemenu insert end radiobutton -variable expgui(backtype) \
2190	-label $item -value $val
2191	}
2192
2193	grid $w.0.type -row 1 -column 1
2194	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2195
2196	# function type
2197	set expgui(backterms) [histinfo $hist backterms]
2198	set expgui(orig_backterms) $expgui(backterms)
2199	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2200	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2201	grid $w.0.terms -row 1 -column 3
2202	# enable traces on expgui(backtype) & expgui(backterms) now
2203	set entrycmd(trace) 1
2204
2205	#set background terms
2206	for {set num 1 } { $num <= 36 } { incr num } {
2207	set var "bterm$num"
2208	set expgui($var) {}
2209	set expgui(orig_$var) {}
2210	}
2211	if {[llength $histlist] == 1} {
2212	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2213	set var "bterm$num"
2214	set expgui($var) [histinfo $histlist $var]
2215	set expgui(orig_$var) $expgui($var)
2216	}
2217	}
2218
2219	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2220	-expand yes -fill both
2221	ShowBackTerms $w.1
2222
2223	set expgui(temp) {}
2224	pack [frame $w.b] -side top
2225	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2226	pack [button $w.b.3 -text Quit \
2227	-command "QuitEditBackground $w"] -side left
2228	bind $w <Return> "destroy $w"
2229
2230	# force the window to stay on top
2231	putontop $w
2232
2233	focus $w.b.2
2234	tkwait window $w
2235	afterputontop
2236
2237	if {$expgui(temp) != ""} return
2238
2239	if {$expgui(orig_backtype) != $expgui(backtype)} {
2240	histinfo $histlist backtype set $expgui(backtype)
2241	incr expgui(changed)
2242	}
2243	if {$expgui(orig_backterms) != $expgui(backterms)} {
2244	histinfo $histlist backterms set $expgui(backterms)
2245	incr expgui(changed)
2246	}
2247	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2248	set var "bterm$num"
2249	if {$expgui(orig_$var) != $expgui($var)} {
2250	histinfo $histlist $var set $expgui($var)
2251	incr expgui(changed)
2252	}
2253	}
2254
2255	if {$expgui(globalmode) == 0} {
2256	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2257	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2258	}
2259	}
2260
2261	trace variable expgui(backterms) w ChangeBackTerms
2262	proc ChangeBackTerms {a b c} {
2263	global entrycmd expgui
2264	if !$entrycmd(trace) return
2265	ShowBackTerms .back.1
2266	}
2267
2268	trace variable expgui(backtype) w ChangeBackType
2269	# reset the terms to 1, 0, 0... when the number of terms increase
2270	proc ChangeBackType {a b c} {
2271	global entrycmd expgui
2272	if !$entrycmd(trace) return
2273	if {$expgui(prev_backtype) == $expgui(backtype)} return
2274	set expgui(prev_backtype) $expgui(backtype)
2275	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2276	set var "bterm$num"
2277	if {$num == 1} {
2278	set expgui($var) 1.0
2279	} else {
2280	set expgui($var) 0.0
2281	}
2282	}
2283	}
2284
2285	proc ShowBackTerms {w } {
2286	global expgui expmap
2287	# destroy the contents of the frame
2288	eval destroy [winfo children $w]
2289	set histlist {}
2290	foreach n $expgui(curhist) {
2291	lappend histlist [lindex $expmap(powderlist) $n]
2292	}
2293	set widgetsPerRow 4
2294	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2295	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2296	set var "bterm$num"
2297	grid [label $w.l$num -text $num -bg beige] \
2298	-row $rows -column $cols -sticky nes
2299	incr cols
2300	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2301	] -row $rows -column $cols -sticky news
2302	incr cols
2303	}
2304	}
2305	}
2306
2307	proc QuitEditBackground {w} {
2308	global expgui
2309	# lets find out if anything changed
2310	set changed 0
2311	if {$expgui(orig_backtype) != $expgui(backtype)} {
2312	set changed 1
2313	}
2314	if {$expgui(orig_backterms) != $expgui(backterms)} {
2315	set changed 1
2316	}
2317	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2318	set var "bterm$num"
2319	if {$expgui(orig_$var) != $expgui($var)} {
2320	set changed 1
2321	break
2322	}
2323	}
2324	if $changed {
2325	set decision [tk_dialog .changes "Abandon Changes" \
2326	"You have made changes to the background. Ok to abandon changes?" \
2327	warning 0 Abandon Keep]
2328	if !$decision {
2329	set expgui(temp) "Quit"
2330	destroy $w
2331	}
2332	} else {
2333	set expgui(temp) "Quit"
2334	destroy $w
2335	}
2336	}
2337
2338	# this probably needs work
2339	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2340	global expgui expmap
2341	set w .global
2342	catch {destroy $w}
2343	toplevel $w -bg beige
2344	wm title $w "Edit Global Parameter"
2345	set expgui(temp) {}
2346	if {[llength $histlist] == 0} {
2347	set hist {}
2348	foreach n $expgui(curhist) {
2349	lappend hist [lindex $expmap(powderlist) $n]
2350	}
2351	} else {
2352	set hist $histlist
2353	}
2354	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2355	-side top -expand yes -fill both
2356	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2357	-bg beige] \
2358	-row 0 -column 0 -columnspan 10
2359	grid [entry $w.0.b -textvariable expgui(temp)] \
2360	-row 1 -column 0
2361
2362
2363	pack [frame $w.b] -side top
2364	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2365	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2366	bind $w <Return> "destroy $w"
2367
2368	# force the window to stay on top
2369	putontop $w
2370	focus $w.b.2
2371	tkwait window $w
2372	afterputontop
2373
2374	if {$expgui(temp) != ""} {
2375	foreach h $hist {
2376	if {$cmd == "histinfo"} {
2377	histinfo $h $variable set $expgui(temp)
2378	incr expgui(changed)
2379	if $expgui(debug) {
2380	puts "histinfo $h $variable set $expgui(temp)"
2381	}
2382	} elseif {$cmd == "hapinfo"} {
2383	hapinfo $h $phase $variable set $expgui(temp)
2384	incr expgui(changed)
2385	if $expgui(debug) {
2386	puts "hapinfo $phase $h $variable set $expgui(temp)"
2387	}
2388	} else {
2389	error "$cmd unimplemented"
2390	}
2391	}
2392	}
2393	}
2394
2395	proc EditProfile {title histlist phaselist} {
2396	global expgui expmap entrycmd
2397	set w .back
2398	catch {destroy $w}
2399	toplevel $w -bg beige
2400	wm title $w "Global Edit Profile"
2401	set hist [lindex $histlist 0]
2402	set phase [lindex $phaselist 0]
2403	set ptype [string trim [hapinfo $hist $phase proftype]]
2404	set htype [string range $expmap(htype_$hist) 2 2]
2405	set nterms [hapinfo $hist $phase profterms]
2406
2407	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2408	] -side top -expand yes -fill both
2409	grid [label $w.0.a \
2410	-text "Setting profile terms: $title" \
2411	-bg beige] -row 0 -column 0 -columnspan 10
2412	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2413	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2414	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2415	set entrylist {}
2416	lappend entrylist "pcut $w.0.d"
2417
2418	set col -1
2419	set row 1
2420	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2421	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2422	] -side top -expand yes -fill both
2423	for { set num 1 } { $num <= $nterms } { incr num } {
2424	set term {}
2425	catch {set term [lindex $lbls $num]}
2426	if {$term == ""} {set term $num}
2427	incr col
2428	grid [label $w.1.l${num} -text "$term" -bg beige] \
2429	-row $row -column $col
2430	incr col
2431	grid [entry $w.1.ent${num} \
2432	-width 14] -row $row -column $col
2433	lappend entrylist "pterm$num $w.1.ent${num}"
2434	if {$col > 6} {set col -1; incr row}
2435	}
2436	pack [frame $w.b] -side top
2437	pack [button $w.b.2 -text Set \
2438	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2439	[list $histlist] $w"] -side left
2440	pack [button $w.b.3 -text Quit \
2441	-command "QuitEditProfile $w [list $entrylist]"] -side left
2442	bind $w <Return> "destroy $w"
2443
2444	# force the window to stay on top
2445	putontop $w
2446	focus $w.b.2
2447	tkwait window $w
2448	afterputontop
2449	}
2450
2451	proc SetEditProfile {entrylist phaselist histlist w} {
2452	global expgui
2453	foreach item $entrylist {
2454	set value [ [lindex $item 1] get ]
2455	if {$value != ""} {
2456	hapinfo $histlist $phaselist [lindex $item 0] set $value
2457	incr expgui(changed)
2458	if $expgui(debug) {
2459	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2460	}
2461	}
2462	}
2463	destroy $w
2464	}
2465
2466	proc QuitEditProfile {w entrylist} {
2467	global expgui
2468	# lets find out if anything changed
2469	set changed 0
2470	foreach item $entrylist {
2471	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2472	}
2473	if $changed {
2474	set decision [tk_dialog .changes "Abandon Changes" \
2475	"You have made changes to the Profile. Ok to abandon changes?" \
2476	warning 0 Abandon Keep]
2477	if !$decision {destroy $w}
2478	} else {
2479	destroy $w
2480	}
2481	}
2482
2483	##############################################################################
2484	## #############################################
2485	## END OF THE PROCEDURES SECTION #############################################
2486	## #############################################
2487	##############################################################################
2488
2489	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2490	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2491	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2492	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2493	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2494	# A frame for menu items at top of display
2495	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2496	# Pack the menu frame.
2497	pack $expgui(fm) -fill x -side top -anchor n
2498
2499	# create a button bar
2500	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2501
2502	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2503	# & LS controls
2504	# 0 name,
2505	# 1 title
2506	# 2 create command
2507	# 3 raise command
2508	# 4 disable page in global mode (0/1)
2509
2510	if $expgui(haveBW) {
2511	pack [NoteBook .n -bd 2] -expand yes -fill both
2512	# create an array element describing each notebook page
2513	# element 0 -- pane name
2514	# 1 -- Label on frame
2515	# 2 -- initialization command
2516	# 3 -- update command
2517	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2518	# are selected in global mode, 0 otherwise
2519	set expgui(notebookpagelist) {
2520	{lsFrame "LS Controls" \
2521	"" \
2522	SetupExtractHist \
2523	0}
2524	{phaseFrame Phase \
2525	"" \
2526	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2527	0}
2528	{histFrame Histogram \
2529	MakeHistPane \
2530	DisplayHistogram \
2531	1}
2532	{fracFrame Scaling \
2533	MakeScalingPane \
2534	DisplayFrac \
2535	0}
2536	{profFrame Profile \
2537	MakeProfilePane \
2538	DisplayProfile \
2539	1}
2540	{consFrame Constraints \
2541	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2542	DisplayConstraintsPane \
2543	0}
2544	{orientFrame "MD Pref Orient" \
2545	MakeOrientPane \
2546	DisplayOrient \
2547	0}
2548	{odfFrame "SH Pref Orient" \
2549	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2550	DisplayODFPane \
2551	0}
2552	}
2553	foreach item $expgui(notebookpagelist) {
2554	set frm [lindex $item 0]
2555	set expgui($frm) [\
2556	.n insert end $frm -text [lindex $item 1] \
2557	-createcmd [lindex $item 2] \
2558	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2559
2560	# at this time expgui(frameactionlist) is generated
2561	# from expgui(notebookpagelist), but in the future it might
2562	# make sense to use expgui(notebookpagelist) directly
2563	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2564
2565	# panes to disable in global "all" mode
2566	if {[lindex $item 4]} {
2567	lappend expgui(GlobalModeAllDisable) \
2568	"$frm \{.n itemconfigure $frm\}"
2569	}
2570	}
2571	} else {
2572	Notebook:create .n \
2573	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2574	pack .n -anchor w -fill both -expand yes
2575	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2576	orientFrame} \
2577	page {"LS Controls" Phase Histogram Scaling Profile \
2578	"MD Pref Orient"} {
2579	set expgui($item) [Notebook:frame .n $item]
2580	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2581	}
2582	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2583	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2584	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2585	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2586	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2587	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2588	set expgui(GlobalModeAllDisable) {}
2589	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2590	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2591	}
2592
2593	# this is used to bring up the selected frame
2594	proc RaisePage {nextpage} {
2595	global expgui
2596	if $expgui(haveBW) {
2597	.n see $nextpage
2598	.n raise $nextpage
2599	set expgui(pagenow) $nextpage
2600	} else {
2601	Notebook:raise .n $nextpage
2602	InitPage $nextpage
2603	}
2604	}
2605	# this is only called when BWidget is not in use
2606	proc InitPage {nextpage} {
2607	global expgui
2608	set expgui(pagenow) $nextpage
2609	UpdateCurrentPage
2610	}
2611	# resize the notebook to fit all the tabs and the largest page
2612	proc ResizeNotebook {} {
2613	global expgui
2614	if {$expgui(haveBW)} {
2615	.n compute_size
2616	} else {
2617	Notebook:resize .n
2618	}
2619	}
2620
2621	#----------------------------------------------------------------------------
2622	proc MakePhasePane {} {
2623	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2624	global expgui
2625	frame $expgui(phaseFrame).top
2626	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2627	# This is a big frame in the Phase notebook pane to hold atomic data.
2628	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2629	-relief raised -borderwidth 4 -bg beige]
2630	# This is a frame just below the big frame: for edits
2631	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2632	-relief raised -borderwidth 4 -bg beige]
2633
2634	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2635	grid $frameLatt -sticky news -row 2 -column 0
2636	grid $fbig -sticky news -row 3 -column 0
2637	# give extra space to the atoms box
2638	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2639	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2640	grid $frame3 -sticky news -row 4 -column 0
2641	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2642	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2643	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2644	# this is where the buttons will go
2645	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2646
2647	grid [label $expgui(phaseFrame).top.lA -text title: \
2648	-fg blue ] -column 1 -row 0 -sticky e
2649	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2650	-fg blue -width 45] -column 2 -row 0 -sticky e
2651	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2652	# ------------- Lattice Parameter Box ------------------
2653	set row 0
2654	foreach col {2 4 6} var {a b c} lbl {a b c} {
2655	grid [label $frameLatt.l$var -text $lbl] \
2656	-column $col -row $row -padx 5 -sticky e
2657	incr col
2658	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2659	-column $col -row $row -padx 5
2660	}
2661	incr row
2662	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2663	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2664	-column $col -row $row -padx 5 -sticky e
2665	incr col
2666	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2667	-column $col -row $row -padx 5
2668	}
2669
2670	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2671	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2672	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2673	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2674	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2675	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2676	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2677	-column 1 -row 0 -rowspan 2
2678	if [file executable $expgui(exptool)] {
2679	button $frameLatt.newp -text Replace\nPhase \
2680	-command MakeReplacePhaseBox -state disabled
2681	grid $frameLatt.newp -column 0 -row 0 -rowspan 2 -sticky w
2682	}
2683	grid columnconfig $frameLatt 1 -weight 1
2684	grid columnconfig $frameLatt 0 -weight 1
2685	#-------------- Begin Atom Coordinates Box ------------------------------
2686	grid [listbox $fbig.title -height 1 -relief flat \
2687	-exportselection 0 -bg lightgrey -fg black \
2688	-selectforeground black -selectbackground lightgrey] \
2689	-row 0 -column 0 -sticky ew
2690	set expgui(atomtitle) $fbig.title
2691	bind $expgui(atomtitle) <Button-1> {
2692	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2693	incr i
2694	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2695	DisplayAllAtoms
2696	}
2697	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2698
2699	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2700	grid [listbox $fbig.lbox -height 10 \
2701	-exportselection 0 \
2702	-xscrollcommand " $fbig.bscr set"\
2703	-yscrollcommand " $fbig.rscr set"\
2704	] -row 1 -column 0 -sticky news
2705	set expgui(atomlistbox) $fbig.lbox
2706	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2707	grid [scrollbar $fbig.bscr -orient horizontal \
2708	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2709	] -row 2 -column 0 -sticky ew
2710	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2711	] -row 1 -column 1 -sticky ns
2712	# give extra space to the atoms box
2713	grid columnconfigure $fbig 0 -weight 1
2714	grid rowconfigure $fbig 1 -weight 1
2715
2716	# BIND mouse in editbox
2717	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2718	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2719
2720	#-------------- End Atoms Section ---------------------------------
2721
2722	# --------------------------- Begin Edit Box ------------------------
2723	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2724	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2725	if [file executable $expgui(exptool)] {
2726	button $frame3.newa -text "Add New Atom" \
2727	-command {MakeAddAtomsBox $expgui(curPhase)}
2728	grid $frame3.newa -column 11 -row 0
2729	}
2730	button [set expgui(atomxform) $frame3.xa] \
2731	-command {MakeXformAtomsBox $expgui(curPhase)}
2732	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2733
2734	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2735	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2736
2737	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2738	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2739	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2740	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2741	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2742	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2743
2744	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2745	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2746
2747	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2748	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2749	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2750	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2751	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2752	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2753	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2754	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2755	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2756
2757	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2758	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2759
2760	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2761	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2762
2763	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2764	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2765	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2766	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2767	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2768	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2769	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2770	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2771	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2772	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2773
2774	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2775	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2776	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2777	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2778	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2779	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2780	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2781	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2782
2783	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2784	grid $f3f31 -column 0 -row 7 -columnspan 12
2785	set expgui(anisolabels) {}
2786	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2787	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2788	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2789	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2790	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2791	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2792
2793	set expgui(anisoentry) {}
2794	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2795	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2796	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2797	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2798	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2799	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2800
2801	set col 0
2802	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2803	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2804	incr col
2805	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2806	incr col
2807	}
2808	# --------------------------- End Edit Box -------------------------
2809
2810	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2811	# resize in case the pane needs more space
2812	ResizeNotebook
2813	}
2814
2815	proc move2boxes {boxlist args} {
2816	foreach listbox $boxlist {
2817	eval $listbox xview $args
2818	}
2819	}
2820	#-----------------------------------------------------------------------------
2821	proc MakeHistPane {} {
2822	#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
2823	global expgui
2824
2825	grid columnconfigure $expgui(histFrame) 0 -weight 1
2826	grid rowconfigure $expgui(histFrame) 1 -weight 1
2827	grid rowconfigure $expgui(histFrame) 2 -weight 1
2828	grid rowconfigure $expgui(histFrame) 3 -weight 1
2829
2830	grid [frame $expgui(histFrame).hs] \
2831	-column 0 -row 0 -rowspan 10 -sticky nsew
2832	MakeHistBox $expgui(histFrame).hs
2833	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2834	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2835	DisplayHistogram
2836	}
2837	bind $expgui(histFrame).hs.lbox <Button-3> {
2838	if $expgui(globalmode) {
2839	$expgui(histFrame).hs.lbox selection set 0 end
2840	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2841	DisplayHistogram
2842	}
2843	}
2844
2845	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2846	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2847	if $expgui(haveBW) {
2848	foreach item {backBox diffBox} num {2 3} \
2849	title {Background "Diffractometer Constants"} {
2850	TitleFrame $expgui(histFrame).$item \
2851	-borderwidth 4 -side left -relief groove -text $title
2852	set expgui($item) [$expgui(histFrame).$item getframe]
2853	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2854	grid rowconfigure $expgui(histFrame) $num -minsize 100
2855	}
2856	} else {
2857	foreach item {backBox diffBox} num {1 2} \
2858	title {Background "Diffractometer Constants"} {
2859	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2860	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2861	set expgui($item) $expgui(histFrame).$item
2862	grid [label $expgui(histFrame).$item.title -text $title] \
2863	-row 0 -column 0 -columnspan 10 -sticky nw
2864	}
2865	}
2866	if [file executable $expgui(exptool)] {
2867	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2868	grid $expgui(histFrame).newh -column 1 -row 6
2869	}
2870
2871	# BACKGROUND information.
2872	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2873	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2874	grid [label $expgui(backBox).frm1.lBGType \
2875	-textvariable expgui(backtypelbl)] \
2876	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2877	grid [label $expgui(backBox).frm1.lBGTerms \
2878	-textvariable expgui(backtermlbl)] \
2879	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2880	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2881	-command editbackground] \
2882	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2883	grid [frame $expgui(backBox).frm2 ] \
2884	-row 1 -column 0 -columnspan 11 -sticky e
2885	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2886	-row 2 -column 1 -sticky news -padx 4 -pady 3
2887	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2888	-variable entryvar(bref) ] \
2889	-row 2 -column 2 -sticky news -padx 4 -pady 3
2890	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2891	-row 2 -column 3 -sticky w -padx 2 -pady 3
2892	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2893	grid $expgui(backBox).frm2.om \
2894	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2895	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2896	# insert the histograms & resize in case the pane needs more space
2897	sethistlist
2898	ResizeNotebook
2899	}
2900	###############################################################################
2901	proc MakeScalingPane {} {
2902	#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
2903	global expgui
2904
2905	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2906	MakeHistBox $expgui(fracFrame).hs
2907	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2908	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2909	DisplayFrac
2910	}
2911	bind $expgui(fracFrame).hs.lbox <Button-3> {
2912	if $expgui(globalmode) {
2913	$expgui(fracFrame).hs.lbox selection set 0 end
2914	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2915	DisplayFrac
2916	}
2917	}
2918
2919	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2920	# Create a large canvas area containing a frame for each phase in the data set.
2921	# The canvas and vertical scrollbar are inside a frame called f1
2922	if $expgui(haveBW) {
2923	TitleFrame $expgui(fracFrame).f1.scaleBox \
2924	-borderwidth 4 -text "Scale Factor"
2925	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2926	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2927	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2928	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2929	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2930	} else {
2931	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2932	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2933	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2934	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2935	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2936	}
2937	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2938	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2939	button $expgui(scaleBox).but1 -text "Set Globally" \
2940	-command "editglobalparm histinfo scale {Scale Factor}"
2941
2942	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2943	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2944	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2945	-row 1 -column 3 -sticky news -padx 4 -pady 3
2946	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2947	-row 1 -column 4 -sticky w -padx 2 -pady 3
2948	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2949	grid $expgui(scaleBox).om \
2950	-row 1 -column 5 -sticky news -padx 4 -pady 3
2951	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2952
2953	if $expgui(haveBW) {
2954	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2955	-text "Phase Fractions" -relief groove] \
2956	-sticky news -row 1 -column 0 -columnspan 2
2957	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2958	} else {
2959	set PhaseFractBox $expgui(fracFrame).f1
2960	}
2961	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2962	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2963
2964	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2965	-scrollregion {0 0 5000 500} \
2966	-yscrollcommand "$PhaseFractBox.yscroll set" \
2967	-width 500 -height 350 -bg lightgrey]] \
2968	-sticky news -row 1 -column 0
2969	grid [scrollbar $PhaseFractBox.yscroll \
2970	-command "$expgui(FracBox) yview" \
2971	-orient vertical] \
2972	-sticky ns -row 1 -column 1
2973	frame $expgui(FracBox).f -bd 0
2974	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2975
2976	# the rest of the page is created in DisplayFrac
2977
2978	# insert the histograms & resize in case the pane needs more space
2979	sethistlist
2980	ResizeNotebook
2981	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2982	}
2983	###############################################################################
2984	proc MakeProfilePane {} {
2985	global expgui
2986	# 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
2987	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2988	MakeHistBox $expgui(profFrame).hs
2989	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2990	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2991	DisplayProfile
2992	}
2993	bind $expgui(profFrame).hs.lbox <Button-3> {
2994	if $expgui(globalmode) {
2995	$expgui(profFrame).hs.lbox selection set 0 end
2996	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2997	DisplayProfile
2998	}
2999	}
3000
3001	# Create a large canvas area containing a frame for each phase in the data set.
3002	# The canvas and vertical scrollbar are inside a frame called f1
3003	pack [frame $expgui(profFrame).f1] -fill both -expand true
3004	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3005	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3006	-sticky news -row 0 -column 0
3007	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3008	-sticky ns -row 0 -column 1
3009
3010	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3011	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3012
3013	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3014	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3015	frame $expgui(ProfileBox).f -bd 0
3016	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3017
3018	# insert the histograms & resize in case the pane needs more space
3019	sethistlist
3020	ResizeNotebook
3021	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3022	}
3023
3024	##############################################################################
3025	# 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
3026	array set printopts {
3027	0 "Print the reciprocal metric tensor changes"
3028	1 "Print the correlation matrix"
3029	2 "Print the Least-Squares matrices and vectors"
3030	4 "Print the linear constraint matrices"
3031	5 "Print the applied shifts and shift factors"
3032	6 "Print the reciprocal metric tensor Var-Covar terms"
3033	7 "Print all parameters for each cycle"
3034	8 "Print summary shift/esd data after last cycle"
3035	9 "Print zero/unit pole figure constraint terms"
3036	}
3037	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3038	MakeHistBox $expgui(lsFrame).hs
3039	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3040	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3041	SetupExtractHist
3042	}
3043	bind $expgui(lsFrame).hs.lbox <Button-3> {
3044	if $expgui(globalmode) {
3045	$expgui(lsFrame).hs.lbox selection set 0 end
3046	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3047	SetupExtractHist
3048	}
3049	}
3050
3051	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3052	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3053	set row 0
3054	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3055	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3056	-textvariable expgui(last_History)] \
3057	-row $row -column 1 -columnspan 5 -sticky w
3058	incr row
3059	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3060	grid [entry $expgui(lsFrame).f1.tit2 \
3061	-textvariable entryvar(title) -width 48] \
3062	-row $row -column 1 -columnspan 5 -sticky w
3063	set entrycmd(title) "expinfo title"
3064
3065	incr row
3066	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3067	-row $row -column 0 -columnspan 2 -pady 3
3068	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3069	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3070	-textvariable entryvar(cycles)] -row 0 -column 1
3071	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3072	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3073	] -row $row -column 2
3074	menu $expgui(lsFrame).f1.lprint.menu
3075	foreach num [lsort [array names printopts]] {
3076	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3077	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3078	-variable entryvar(printopt$num)
3079	}
3080	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3081	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3082	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3083	incr row
3084	if {$expgui(haveBW)} {
3085	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3086	-text "Reflection Intensity Extraction" \
3087	] -row $row -column 0 -columnspan 6
3088	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3089	} else {
3090	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3091	] -row $row -column 0 -columnspan 6
3092	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3093	}
3094	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3095	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3096	-row 0 -column 8 -columnspan 3 -sticky e
3097	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3098	-row 0 -column 2
3099	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3100	-variable entryvar(fobsextract)] -row 0 -column 3
3101	foreach num {1 2 3 4 5 6 7 8 9} {
3102	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3103	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3104	-command "HistExtractSet $num" \
3105	-variable expgui(Fextract$num) -value 0] \
3106	-row 2 -column $num
3107	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3108	-command "HistExtractSet $num" \
3109	-variable expgui(Fextract$num) -value 1] \
3110	-row 3 -column $num
3111	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3112	-command "HistExtractSet $num" \
3113	-variable expgui(Fextract$num) -value 2] \
3114	-row 4 -column $num
3115	}
3116	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3117	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3118	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3119
3120	grid [label $expgui(FobsExtractFrame).t \
3121	-text "Extraction\nMethod" -anchor c] \
3122	-column 0 -row 0 -rowspan 2 -sticky s
3123	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3124	-column 1 -row 0 -columnspan 7 -sticky sw
3125	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3126	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3127	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3128	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3129	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3130	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3131	#-------------------------------------------------------------------------
3132	#-------------------------------------------------------------------------
3133	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3134
3135	#---- file menu button
3136	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3137	menu $expgui(fm).file.menu
3138	if $expgui(debug) {
3139	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3140	}
3141	if {$tcl_platform(platform) != "macintosh"} {
3142	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3143	}
3144	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3145	-command savearchiveexp
3146	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3147	$expgui(fm).file.menu add command -label "Save As" \
3148	-command "SaveAsFile"
3149	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3150	-command {rereadexp $expgui(expfile)}
3151
3152	#---- help menu button
3153	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3154	menu $expgui(fm).help.menu
3155	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3156	-label "Help on Command"
3157	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3158	$expgui(fm).help.menu add command -label "About..." -command About
3159
3160	#---- options menu button
3161	menubutton $expgui(fm).option -text Options \
3162	-menu $expgui(fm).option.menu
3163	menu $expgui(fm).option.menu
3164
3165	if {$tcl_platform(platform) != "macintosh"} {
3166	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3167	-variable expgui(archive)
3168	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3169	-variable expgui(disaglSeparateBox)
3170	}
3171	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3172	-label "Sort atoms by"
3173
3174	set expgui(asorttype) number
3175	menu $expgui(fm).option.menu.asort
3176	foreach opt {number type mult x y z occupancy} {
3177	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3178	-label $opt -value $opt -variable expgui(asorttype)
3179	}
3180
3181	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3182	-label "Sort histograms by"
3183
3184	set expgui(hsorttype) number
3185	menu $expgui(fm).option.menu.hsort
3186	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3187	-label number -value number -variable expgui(hsorttype)
3188	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3189	-label "Histogram type" -value type -variable expgui(hsorttype)
3190	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3191	-label "Bank #" -value bank -variable expgui(hsorttype)
3192	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3193	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3194
3195	#---- Global mode menu button
3196	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3197	-label "Multiple hist. selection"
3198	menu $expgui(fm).option.menu.editmode
3199	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3200	-variable expgui(globalmode) -value 0 \
3201	-command sethistlist
3202	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3203	-variable expgui(globalmode) -value 6 \
3204	-command sethistlist
3205	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3206	-variable expgui(globalmode) -value 1 \
3207	-command sethistlist
3208	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3209	-variable expgui(globalmode) -value 2 \
3210	-command sethistlist
3211	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3212	-variable expgui(globalmode) -value 3 \
3213	-command sethistlist
3214	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3215	-variable expgui(globalmode) -value 4 \
3216	-command sethistlist
3217	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3218	-variable expgui(globalmode) -value 5 \
3219	-command sethistlist
3220	$expgui(fm).option.menu.editmode add separator
3221	$expgui(fm).option.menu.editmode add checkbutton \
3222	-label "Group phases together" \
3223	-variable expgui(globalphasemode) \
3224	-command sethistlist
3225
3226	set expgui(globalmode) 0
3227	set expgui(globalphasemode) 1
3228
3229	if {$tcl_platform(platform) == "unix"} {
3230	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3231	-variable env(GSASBACKSPACE)
3232	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3233	-variable expgui(autoexpload)
3234	}
3235
3236	$expgui(fm).option.menu add command -label "Save Options" \
3237	-command "SaveOptions"
3238
3239	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3240
3241	if {$tcl_platform(platform) != "macintosh"} {
3242	foreach menu $expgui(menunames) {
3243	set m [string tolower $menu]
3244	pack [menubutton $expgui(fm).$m -text $menu \
3245	-menu $expgui(fm).$m.menu] -side left
3246	menu $expgui(fm).$m.menu
3247	}
3248	}
3249	pack $expgui(fm).help -side right -in $expgui(fm)
3250
3251	if {$tcl_platform(platform) != "macintosh"} {
3252	# add the commands in expgui_menulist
3253	foreach menu [array names expgui_menulist ] {
3254	foreach cmd $expgui_menulist($menu) {
3255	set action {}
3256	set opt {}
3257	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3258	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3259	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3260	if {$action != "" && $action != "-"} {
3261	eval $expgui(fm).$menu.menu add command \
3262	-label $cmd $opt -command [list [subst $action]]
3263	if {[lindex $opt 0] == "-underline"} {
3264	catch {
3265	set num [lindex $opt 1]
3266	set key [string range $cmd $num $num]
3267	bind . <Alt-[string tolower $key]> [subst $action]
3268	bind . <Alt-[string toupper $key]> [subst $action]
3269	}
3270	}
3271	}
3272	}
3273	}
3274	}
3275	# setup command help
3276	foreach cmd [array names expgui_cmdlist] {
3277	set help {}
3278	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3279	if {$help == ""} {
3280	if {$expgui(debug)} {puts "no help for $cmd"}
3281	} else {
3282	# remove
3283	regsub -all \x09 $help " " help
3284	# preserve blank lines
3285	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3286	regsub -all \x0A $help " " help
3287	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3288	regsub -all " +" $help " " help
3289	set expgui_helplist($cmd) [string trim $help]
3290	}
3291	}
3292	if {$tcl_platform(platform) != "macintosh"} {
3293	# set up button bar
3294	foreach cmd $expgui(buttonlist) {
3295	set action {}
3296	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3297	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3298	if {$action != ""} {
3299	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3300	-text $cmd -command [list [subst $action]]] -side left
3301	}
3302	}
3303	}
3304
3305	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3306	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3307	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3308
3309	# make the phase pane
3310	MakePhasePane
3311	# and the rest of the windows w/o BWidget
3312	if !$expgui(haveBW) {
3313	MakeHistPane
3314	MakeScalingPane
3315	MakeProfilePane
3316	}
3317
3318	# handle indirect exits
3319	wm protocol . WM_DELETE_WINDOW catchQuit
3320	bind . <Control-c> catchQuit
3321
3322	set expgui(curPhase) ""
3323	set expgui(pagenow) ""
3324	set expgui(curhist) {}
3325	set expgui(selectedatomlist) {}
3326
3327	loadexp $expgui(expfile)
3328
3329	# select the 1st phase
3330	SelectOnePhase [lindex $expmap(phaselist) 0]
3331	# select the first histogram in the list by default (if there are any)
3332	if {[llength $expmap(histlistboxcontents)] > 0} {
3333	set expgui(curhist) 0
3334	} else {
3335	set expgui(curhist) {}
3336	}
3337
3338	# execute any local commands for final initialization
3339	eval $expgui(initstring)
3340
3341	# resize the notebook to fit all the tabs and the largest page
3342	ResizeNotebook
3343
3344	RaisePage lsFrame
3345	if {[CountHistory] > 100} {
3346	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3347	}

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