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source: trunk/expgui @ 267

Last change on this file since 267 was 267, checked in by toby, 14 years ago
# on 2000/08/17 23:48:03, toby did: implement Replace Phase error trace on error in a *info command
Property rcs:author set to `toby` Property rcs:date set to `2000/08/17 23:48:03` Property rcs:lines set to `+7 -5` Property rcs:rev set to `1.33` 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 267 2009-12-04 23:03:12Z toby $
3	set expgui(Revision) {$Revision: 267 $ $Date: 2009-12-04 23:03:12 +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	# default: keep current atoms when replacing a phase
71	set expgui(DeleteAllAtoms) 0
72	#=============================================================================
73	#----------------------------------------------------------------
74	# where are we?
75	set expgui(script) [info script]
76	# translate links -- go six levels deep
77	foreach i {1 2 3 4 5 6} {
78	if {[file type $expgui(script)] == "link"} {
79	set link [file readlink $expgui(script)]
80	if { [file pathtype $link] == "absolute" } {
81	set expgui(script) $link
82	} {
83	set expgui(script) [file dirname $expgui(script)]/$link
84	}
85	} else {
86	break
87	}
88	}
89	# fixup relative paths
90	if {[file pathtype $expgui(script)] == "relative"} {
91	set expgui(script) [file join [pwd] $expgui(script)]
92	}
93	set expgui(scriptdir) [file dirname $expgui(script) ]
94	set expgui(gsasdir) [file dirname $expgui(scriptdir)]
95	set expgui(gsasexe) [file join $expgui(gsasdir) exe]
96	#----------------------------------------------------------------
97	lappend auto_path $expgui(scriptdir)
98	set expgui(havetix) 0
99	set expgui(haveBW) 1
100	# for debugging non-BWidget version set environment variable NOBWIDGET
101	catch {if $env(NOBWIDGET) {set expgui(haveBW) 0}}
102	if $expgui(haveBW) {
103	if [catch {package require BWidget}] {set expgui(haveBW) 0}
104	}
105	# get the notebook widget if not using BWidgets
106	if {!$expgui(haveBW)} {source [file join $expgui(scriptdir) notebook.tcl]}
107	#----------------------------------------------------------------
108	if [file exists [file join $expgui(scriptdir) opts.tcl]] {
109	source [file join $expgui(scriptdir) opts.tcl]
110	}
111	# fetch EXP file processing routines
112	source [file join $expgui(scriptdir) readexp.tcl]
113	# commands for running GSAS programs
114	source [file join $expgui(scriptdir) gsascmds.tcl]
115	# contents of GSAS menus
116	source [file join $expgui(scriptdir) gsasmenu.tcl]
117	# commands for adding phases, histograms & atoms
118	source [file join $expgui(scriptdir) addcmds.tcl]
119	# commands for preferred orientation
120	source [file join $expgui(scriptdir) orient.tcl]
121	#---------------------------------------------------------------------------
122	# override options with locally defined values
123	if [file exists [file join $expgui(scriptdir) localconfig]] {
124	source [file join $expgui(scriptdir) localconfig]
125	}
126	if [file exists [file join ~ .gsas_config]] {
127	source [file join ~ .gsas_config]
128	}
129	if {$tcl_platform(platform) == "windows"} {
130	set expgui(exptool) [file join $expgui(gsasexe) exptool.exe]
131	} else {
132	set expgui(exptool) [file join $expgui(gsasexe) exptool]
133	}
134	#---------------------------------------------------------------------------
135	if {$expgui(expfile) != ""} {
136	if ![file exists $expgui(expfile)] {
137	update
138	set ans [tk_dialog .expFileErrorMsg "File Open Error" \
139	"File [file tail $expgui(expfile)] does not exist in [file dirname $expgui(expfile)]" \
140	error 0 "Create" "Open other"]
141	if $ans {set expgui(expfile) {}}
142	}
143	}
144	if {$expgui(expfile) == ""} {
145	# center the parent window because the getExpFileName window
146	# will be centered above it.
147	wm withdraw .
148	set x [expr [winfo screenwidth .]/2 - [winfo reqwidth .]/2 ]
149	set y [expr [winfo screenheight .]/2 - [winfo reqheight .]/2]
150	wm geom . +$x+$y
151	wm deiconify .
152	# windows needed this update before when using tk_getOpenFile.
153	# I am not sure it is still needed.
154	update
155	#
156	set expgui(expfile) [getExpFileName old]
157	}
158	if {$expgui(expfile) == ""} exit
159	# you've been warned this .EXP does not exist!
160	if ![file exists $expgui(expfile)] {
161	# create an "empty" exp file
162	createexp $expgui(expfile) \
163	[getstring "title for experiment $expgui(expfile)" 60 0]
164	}
165	catch {cd [string trim [file dirname $expgui(expfile)]]}
166
167	#
168	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
169	# <<<<<<<<<< BEGINNING OF MAIN: GLOBAL AREA FOR DATA EXTRACTION >>>>>>>>>>>
170	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
171	# load exp file and set up dialogs
172	proc loadexp {expfile} {
173	global expgui expmap entryvar entrycmd tcl_platform
174	set exploadtime [time {set fmt [expload $expfile]}]
175	if $expgui(debug) {puts "expload $exploadtime"}
176	# if the file was not in the correct format, force a rewrite before use
177	if {$fmt < 0} {
178	# read error
179	return
180	} elseif {$fmt == 0 && $tcl_platform(platform) == "windows"} {
181	set expgui(changed) 1
182	} elseif {$fmt == 1 && $tcl_platform(platform) == "unix"} {
183	set expgui(changed) 1
184	} else {
185	set expgui(changed) 0
186	}
187
188	# force exp files to be upper case, force save if name changes
189	set filetail [file tail $expfile]
190	set filetailcaps [string toupper $filetail]
191	if {$tcl_platform(platform) == "unix" && $filetail != $filetailcaps} {
192	set expgui(changed) 1
193	}
194	if {[file dirname $expfile] == "."} {
195	set expgui(expfile) $filetailcaps
196	} else {
197	set expgui(expfile) [file join \
198	[file dirname $expfile] $filetailcaps]
199	}
200
201	mapexp
202	set expgui(expModifiedLast) 0
203	catch {
204	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
205	}
206	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
207	# set the window/icon title
208	wm title . "EXPGUI $expfile"
209	set expgui(titleunchanged) 1
210	wm iconname . [file tail $expfile]
211
212	# set the number of phases on the phase page
213	setphases
214
215	# disable the "global options" that don't make sense based on
216	# which histograms present
217	foreach num {1 2 3 4 5} {
218	set flag($num) 0
219	}
220	# save a list of the allowed modes, too
221	set expgui(AllowedHistSelectModes) {0 6}
222	foreach h $expmap(powderlist) {
223	if {[string range $expmap(htype_$h) 2 2] == "T"} {set flag(1) 1}
224	if {[string range $expmap(htype_$h) 1 2] == "NC"} {set flag(2) 1}
225	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
226	[histinfo $h lam2] != 0.0} {set flag(3) 1}
227	if {[string range $expmap(htype_$h) 1 2] == "XC" && \
228	[histinfo $h lam2] == 0.0} {set flag(4) 1}
229	if {[string range $expmap(htype_$h) 1 2] == "XE"} {set flag(5) 1}
230	}
231	foreach num {1 2 3 4 5} \
232	lbl {TOF "CW Neutron" "Alpha12 Xray" "Monochromatic Xray" \
233	"Energy Disp Xray"} {
234	if $flag($num) {
235	$expgui(fm).option.menu.editmode entryconfigure $lbl -state normal
236	lappend expgui(AllowedHistSelectModes) $num
237	} else {
238	$expgui(fm).option.menu.editmode entryconfigure $lbl -state disabled
239	}
240	}
241	# disable traces on entryvar until we are ready
242	set entrycmd(trace) 0
243	trace vdelete entryvar w entvartrace
244
245	# propogate changes on the least squares page
246	set entryvar(cycles) [expinfo cycles]
247	set entrycmd(cycles) "expinfo cycles"
248	# set expgui(globalmode) 0
249	set expgui(printopt) "Print Options ([expinfo print])"
250	set entryvar(title) [expinfo title]
251	global printopts
252	foreach num [array names printopts] {
253	set entrycmd(printopt$num) "printsetting $num"
254	set entryvar(printopt$num) [printsetting $num]
255	}
256	# enable traces on entryvar
257	set entrycmd(trace) 1
258	trace variable entryvar w entvartrace
259
260	# set fo extraction on LS page
261	SetupExtractHist
262
263	# update the histogram list & update the page
264	sethistlist
265
266	# start checking for external changes
267	afterawhile
268	}
269
270	# called to reread the .EXP file
271	proc rereadexp {expfile} {
272	global expgui
273	if $expgui(changed) {
274	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
275	{You have made changes to the Experiment. Rereading will cause the changes to be lost. Select an option:} \
276	{} 0 "Save and reread" "Reread without Save" "Cancel reread command"]
277	switch $decision {
278	0 { savearchiveexp }
279	1 { }
280	2 { return }
281	}
282	}
283	loadexp $expgui(expfile)
284	}
285
286	proc SaveAsFile {} {
287	global expgui
288	set newexpfile [getExpFileName new]
289	if {$newexpfile == ""} return
290	expwrite $newexpfile
291	set expgui(expfile) $newexpfile
292	catch {cd [string trim [file dirname $expgui(expfile)]]}
293	set expgui(changed) 0
294	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
295	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
296	# set the window/icon title
297	wm title . $expgui(expfile)
298	set expgui(titleunchanged) 1
299	wm iconname . [file tail $expgui(expfile)]
300	}
301
302	# called to read a different .EXP file
303	proc readnewexp {} {
304	global expgui expmap
305	if $expgui(changed) {
306	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
307	{You have made changes to the Experiment. Reading a different file will cause the changes to be lost. Select an option:} \
308	{} 0 "Save and read" "Read without Save" "Cancel read command"]
309	switch $decision {
310	0 { savearchiveexp }
311	1 { }
312	2 { return }
313	}
314	}
315	set newexpfile [getExpFileName old]
316	if {$newexpfile == ""} return
317
318	# switch to the 1st page
319	RaisePage lsFrame
320
321	if ![file exists $newexpfile] {
322	# you've been warned this .EXP does not exist!
323	# create an "empty" exp file
324	createexp $newexpfile \
325	[getstring "title for experiment $newexpfile" 60 0]
326	}
327	set expgui(expfile) $newexpfile
328	catch {cd [string trim [file dirname $expgui(expfile)]]}
329	set expgui(globalmode) 0
330	loadexp $expgui(expfile)
331
332	# select the 1st phase
333	SelectOnePhase [lindex $expmap(phaselist) 0]
334	# select the first histogram in the list by default (if there are any)
335	if {[llength $expmap(histlistboxcontents)] > 0} {
336	set expgui(curhist) 0
337	} else {
338	set expgui(curhist) {}
339	}
340	if {[CountHistory] > 100} {
341	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
342	}
343	}
344
345	#------------- set up data read/write layer ----------------------
346	# trace routine on entryvar
347	proc entvartrace {array elem action} {
348	global expgui entrycmd entryvar
349	if !$entrycmd(trace) return
350
351	catch {
352	if {$entrycmd($elem) == ""} return
353	incr expgui(changed)
354	if $expgui(debug) {puts "$entrycmd($elem) set $entryvar($elem) "}
355	if {$entrycmd($elem) == ""} return
356	if [catch {
357	eval $entrycmd($elem) set [list $entryvar($elem)]
358	if {[lindex $entrycmd($elem) 0] == "atominfo"} {
359	after idle {DisplayAllAtoms noreset}
360	}
361	} errmsg] {error $errmsg}
362	}
363	}
364
365	# disable traces on entryvar until we are ready
366	set entrycmd(trace) 0
367	trace variable entryvar w entvartrace
368
369	#
370	#
371	#
372	##############################################################################
373	##### #####################################################
374	##### PROCEDURES SECTION #####################################################
375	##### #####################################################
376	##############################################################################
377	# reset routine is used for debugging
378	proc reset {} {
379	global expgui script argv
380	set script $expgui(script)
381	set argv $expgui(expfile)
382	# remove traces
383	global entryvar
384	foreach cmd [trace vinfo entryvar] {
385	eval trace vdelete entryvar $cmd
386	}
387	global expgui
388	foreach cmd [trace vinfo expgui(backterms)] {
389	eval trace vdelete entryvar $cmd
390	}
391	foreach cmd [trace vinfo expgui(backtype)] {
392	eval trace vdelete entryvar $cmd
393	}
394	foreach a {
395	expmap expgui entryvar entrycmd
396	expgui_menulist expgui_cmdlist expgui_helplist
397	} {
398	global $a
399	catch {unset $a}
400	}
401	foreach w [winfo children .] {
402	destroy $w
403	}
404
405	uplevel #0 {source $script}
406	}
407
408	# save some of the global options in ~/.gsas_config
409	proc SaveOptions {} {
410	global expgui env tcl_platform
411	set fp [open [file join ~ .gsas_config] a]
412	foreach item {archive asorttype hsorttype filesort disaglSeparateBox} {
413	puts $fp "set expgui($item) $expgui($item)"
414	}
415	if {$tcl_platform(platform) != "windows"} {
416	puts $fp "set env(GSASBACKSPACE) $env(GSASBACKSPACE)"
417	puts $fp "set expgui(autoexpload) $expgui(autoexpload)"
418	}
419	close $fp
420	}
421
422	proc About { } {
423	global expgui expmap
424	tk_dialog .about {About...} \
425	"EXPGUI\n\
426	Jonathan Wasserman and Brian Toby\n\
427	NIST Center for Neutron Research\n\n\
428	2000, Not subject to copyright\n\n\
429	Revision [lindex $expgui(Revision) 1] (readexp.tcl [lindex $expmap(Revision) 1])\n\n\
430	Generalized Structure Analysis System (GSAS)\n\
431	A. C. Larson and\n R. B. Von Dreele,\n LANSCE, Los Alamos\n\n\
432	" \
433	info 0 OK
434	}
435
436	# wait until idle
437	proc afterawhile {} {
438	# cancel any other instances of this loop
439	after cancel afterawhile
440	after cancel whenidle
441	after cancel whenidle
442	after idle whenidle
443	}
444
445	# This is called every 2 seconds to check for changes to the .EXP file
446	proc whenidle {} {
447	global expgui
448	if $expgui(titleunchanged) {
449	if {$expgui(changed) != 0} {
450	wm title . "$expgui(expfile) (modified)"
451	set expgui(titleunchanged) 0
452	}
453	}
454	if {$expgui(expModifiedLast) == 0} {
455	after 2000 afterawhile
456	return
457	}
458	if {[file mtime $expgui(expfile)] != $expgui(expModifiedLast)} {
459	set ans [ReloadExpMsg [file tail $expgui(expfile)] $expgui(changed)]
460	if {$ans == 0} {
461	loadexp $expgui(expfile)
462	} elseif {$ans == 1} {
463	# reset the time to the next version
464	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
465	} elseif {$ans == 2} {
466	savearchiveexp
467	}
468	}
469	after 2000 afterawhile
470	}
471
472	# place a message about changes over the main window
473	proc ReloadExpMsg {file changes} {
474	global expgui tcl_platform
475	set msg "File $file has been modified by another program"
476	if {$changes == 1} {
477	append msg " and you have made a change to this version.\n"
478	} elseif {$changes > 0} {
479	append msg " and you have made $changes changes to this version.\n"
480	} else {
481	append msg ".\n"
482	}
483	append msg "Do you want to use the newer (modified) version or continue with the older (previous) version of the file?"
484
485	set w .ask
486	catch {destroy $w}
487	toplevel $w -class Dialog
488	wm title $w "Reload?"
489	wm iconname $w "Reload?"
490	wm protocol $w WM_DELETE_WINDOW { }
491	wm transient $w .
492	frame $w.bot
493	pack $w.bot -side bottom
494	frame $w.top
495	pack $w.top -side top -fill both -expand 1
496	label $w.top.msg -justify left \
497	-wraplength 5i -font {Times 18} \
498	-text $msg
499	if {$tcl_platform(platform) == "windows"} {
500	$w.top.msg config -font {Times 14}
501	}
502	pack $w.top.msg -side right -expand 1 -fill both -padx 3m -pady 3m
503	pack [button $w.bot.1 -text "Load new" \
504	-default active -command "set expgui(dialogbutton) 0" \
505	] -side left -expand 1 -padx 3m -pady 2m
506	pack [button $w.bot.2 -text "Continue with old" \
507	-command "set expgui(dialogbutton) 1"] \
508	-side left -expand 1 -padx 3m -pady 2m
509	if {$changes > 0} {
510	pack [button $w.bot.3 -text "Save edited version" \
511	-command "set expgui(dialogbutton) 2"] \
512	-side left -expand 1 -padx 3m -pady 2m
513	}
514	# Create a binding for <Return> on the dialog
515	bind $w <Return> "tkButtonInvoke $w.bot.1"
516	wm withdraw $w
517	update idletasks
518
519	# for windows put the box in the upper left, for
520	# unix center it over the parent (in unix it appears later)
521	#if {$tcl_platform(platform) == "windows"} {
522	#wm geom $w +0+0
523	#} else {
524
525	# for now, always center the message over the main window
526	# center the new window in the middle of the parent
527	set x [expr [winfo x .] + [winfo width .]/2 - \
528	[winfo reqwidth $w]/2 - [winfo vrootx .]]
529	set y [expr [winfo y .] + [winfo height .]/2 - \
530	[winfo reqheight $w]/2 - [winfo vrooty .]]
531	wm geom $w +$x+$y
532	#}
533	wm deiconify $w
534
535	# Grab the focus
536	set oldFocus [focus]
537	set oldGrab [grab current $w]
538	if {[string compare $oldGrab ""]} {
539	set grabStatus [grab status $oldGrab]
540	}
541	grab $w
542	focus $w.bot.1
543	# for windows rearrange window stacking
544	if {$tcl_platform(platform) == "windows"} {
545	lower .
546	raise $w .
547	}
548	update idletasks
549
550	tkwait variable expgui(dialogbutton)
551	catch {focus $oldFocus}
552	destroy $w
553	if {[string compare $oldGrab ""]} {
554	if {![string compare $grabStatus "global"]} {
555	grab -global $oldGrab
556	} else {
557	grab $oldGrab
558	}
559	}
560	raise .
561	return $expgui(dialogbutton)
562	}
563
564	# -------- called to confirm before exiting
565	proc catchQuit {} {
566	if {[confirmBeforeSave] == "Continue"} {
567	destroy .
568	}
569	}
570	# save the .EXP file before exiting?
571	proc confirmBeforeSave {} {
572	global expgui
573	if !$expgui(changed) {
574	return "Continue"
575	}
576	set decision [tk_dialog .instrSaveData {Save .EXP changes} \
577	{You have made changes to the Experiment, but the changes are not saved. Select an option:} \
578	{} 0 "Save and Exit" "Exit without Save" "Cancel exit command"]
579	switch $decision {
580	0 { savearchiveexp; return "Continue" }
581	1 { return "Continue" }
582	2 { return "Cancel" }
583	}
584	}
585
586	proc archiveexp {} {
587	global expgui tcl_platform
588	# is there a file to archive
589	if {![file exists $expgui(expfile)]} return
590	catch {
591	set expnam [file rootname $expgui(expfile)]
592	if {$tcl_platform(platform) == "windows"} {
593	set version -1
594	catch {source $expnam.version}
595	incr version
596	if ![file executable [file join $expgui(scriptdir) pkzip.exe]] {
597	# archive w/o pkzip
598	set file $expnam![format "%3.3d" $version].EXP
599	file copy -force $expnam.EXP $file
600	set fp [open $expnam.lst a]
601	puts $fp "\n--------------------------------------------------------------"
602	puts $fp "Archiving $expnam.EXP as $file"
603	puts $fp "--------------------------------------------------------------\n"
604	close $fp
605	} else {
606	# archive with PKZIP
607	# need to limit expnam to 8 characters
608	set sexp [string toupper [string range [file root [file tail $expnam] ] 0 7]]
609	# PKZIP can't handle long dir names either
610	cd [set dir [file dirname $expnam]]
611	set file $sexp.[format "%3.3d" $version]
612	file copy -force $expnam.EXP $file
613	exec [file join $expgui(scriptdir) pkzip.exe] -m $sexp $file > zip.out &
614	set fp [open $expnam.lst a]
615	puts $fp "\n--------------------------------------------------------------"
616	puts $fp "Archiving $expnam.EXP as $file in [file join $dir $sexp.ZIP]"
617	puts $fp "--------------------------------------------------------------\n"
618	close $fp
619	}
620	set fp [open $expnam.version w]
621	puts $fp "set version $version"
622	close $fp
623	} else {
624	set files [glob -nocomplain $expnam.EXP.*]
625	if {$files == ""} {
626	set file $expnam.EXP.000
627	} else {
628	set file [lindex [lsort -decreasing $files] 0]
629	regexp {.\.EXP.0?0?([0-9]).*} $file junk number
630	incr number
631	set file $expnam.EXP.[format "%3.3d" $number]
632	}
633	file copy $expgui(expfile) $file
634	if [catch {exec gzip $file}] {
635	exec echo "\n----------------------------------------------" >> $expnam.LST
636	exec echo " Archiving $expnam.EXP as $file " >> $expnam.LST
637	exec echo "----------------------------------------------\n" >> $expnam.LST
638	} else {
639	exec echo "\n----------------------------------------------" >> $expnam.LST
640	exec echo " Archiving $expnam.EXP as $file.gz " >> $expnam.LST
641	exec echo "----------------------------------------------\n" >> $expnam.LST
642	}
643	}
644	} errmsg
645	if {$errmsg != ""} {
646	tk_dialog .warn Confirm "Error in archive: $errmsg" warning 0 OK
647	}
648	}
649
650	# save and optionally archive the expfile
651	proc savearchiveexp {} {
652	global expgui expmap
653	if !$expgui(changed) return
654	if $expgui(archive) archiveexp
655	# add a history record
656	exphistory add " EXPGUI [lindex $expgui(Revision) 1] [lindex $expmap(Revision) 1] ($expgui(changed) changes) -- [clock format [clock seconds]]"
657	# now save the file
658	expwrite $expgui(expfile)
659	set expgui(changed) 0
660	set expgui(expModifiedLast) [file mtime $expgui(expfile)]
661	set expgui(last_History) [string range [string trim [lindex [exphistory last] 1]] 0 50 ]
662	wm title . $expgui(expfile)
663	set expgui(titleunchanged) 1
664	}
665
666	# setup buttons for each phase on the phase page
667	proc setphases {} {
668	global expgui expmap
669	eval destroy [winfo children $expgui(phaseFrame).top.ps]
670	pack [label $expgui(phaseFrame).top.ps.0 -text Phase:] -side left
671	foreach num $expmap(phaselist) type $expmap(phasetype) {
672	pack [button $expgui(phaseFrame).top.ps.$num -text $num \
673	-command "SelectOnePhase $num" -padx 1.5m] -side left
674	if {$type > 3} {
675	$expgui(phaseFrame).top.ps.$num config -state disabled
676	}
677	}
678	if {[file executable $expgui(exptool)] && \
679	[llength $expmap(phaselist)]} {
680	pack [button $expgui(phaseFrame).top.ps.10 -text "Add Phase" \
681	-padx 1.5m -command MakeAddPhaseBox] -side left
682	}
683	}
684
685	# Procedure to respond to changes the phase.
686	# This loads the "phases" widgets with data corresponding to the selected phase.
687	proc SelectOnePhase {num} {
688	global entryvar entrycmd expmap expgui
689	set crsPhase {}
690	$expgui(atomxform) config -text "Xform Atoms" -state disabled
691	foreach n $expmap(phaselist) type $expmap(phasetype) {
692	if {$n == $num && $type <= 3} {
693	catch {$expgui(phaseFrame).top.ps.$num config -relief sunken}
694	set crsPhase $num
695	if {$type == 3} {
696	set expgui(phasetype) "Magnetic\nOnly"
697	} elseif {$type == 2} {
698	set expgui(phasetype) "Magnetic\n& Nuclear"
699	} elseif {$type == 4} {
700	# this is not used at present
701	set expgui(phasetype) "Macromolecular"
702	} else {
703	set expgui(phasetype) ""
704	}
705	} else {
706	catch {$expgui(phaseFrame).top.ps.$n config -relief raised}
707	}
708	}
709	# no phase is selected
710	if {$crsPhase == "" \|\| [llength $expmap(phaselist)] == 0} {
711	# disable traces on entryvar
712	set entrycmd(trace) 0
713	set entrycmd(phasename) ""
714	set entryvar(phasename) ""
715	foreach ent {a b c alpha beta gamma cellref celldamp} {
716	set entrycmd($ent) ""
717	set entryvar($ent) ""
718	}
719	set expgui(curPhase) {}
720	# enable traces on entryvar
721	set entrycmd(trace) 1
722	$expgui(EditingAtoms) config -text ""
723	DisplayAtom 0 0
724	DisplayU 0 0
725	DisplayRefFlags 0 0
726	$expgui(atomlistbox) delete 0 end
727	return
728	}
729
730	set expgui(curPhase) $crsPhase
731	# we have a phase
732
733	# disable traces on entryvar for right now
734	set entrycmd(trace) 0
735
736	##########################################################
737	###### SECTION: ASSIGNMENT OF DATA VARIABLES ##########
738	##########################################################
739	# phase title
740	set entrycmd(phasename) "phaseinfo $crsPhase name"
741	set entryvar(phasename) [phaseinfo $crsPhase name]
742	# cell parameters & flags
743	foreach ent {a b c alpha beta gamma cellref celldamp} {
744	set entrycmd($ent) "phaseinfo $crsPhase $ent"
745	set entryvar($ent) [phaseinfo $crsPhase $ent]
746	}
747
748	#Procedure call: DisplayU -- Display Anisotropic/Isotropic widget or disable
749	# initialize to diasbled
750	DisplayAtom 0 0
751	DisplayU 0 0
752	DisplayRefFlags 0 0
753	$expgui(EditingAtoms) config -text ""
754
755	DisplayAllAtoms
756
757	# enable traces on entryvar now
758	set entrycmd(trace) 1
759	}
760
761	set expgui(noreenterDisplayAllAtoms) 0
762	# Populate expgui(atomlistbox) (ScrolledListBox) with atoms from selected phase.
763	proc DisplayAllAtoms {"mode reset"} {
764	global entryvar entrycmd expmap expgui
765	# if it does not show, dont bother
766	if {$expgui(pagenow) != "phaseFrame"} return
767	if {$expgui(curPhase) == ""} return
768	if $expgui(noreenterDisplayAllAtoms) return
769
770	set expgui(noreenterDisplayAllAtoms) 1
771	if {$mode != "reset"} {
772	# save the scrolled position
773	set pos [lindex [$expgui(atomlistbox) yview] 0]
774	} else {
775	# this is a reset -- clear the selected atoms list
776	set expgui(selectedatomlist) {}
777	}
778	$expgui(atomlistbox) delete 0 end
779	# loop over atoms
780	set maxline I
781	set phase $expgui(curPhase)
782	set atomlist {}
783	set typehead "type "
784	set namehead " name "
785	set multhead "Mult"
786	set coordhead " "
787	set frachead "Occupancy"
788	if {$expgui(asorttype) == "type"} {
789	# sort on atom type
790	set typehead "type* "
791	foreach atom $expmap(atomlist_$phase) {
792	lappend atomlist "$atom [atominfo $phase $atom type] $phase"
793	}
794	set expmap(atomlistboxcontents) [lsort -ascii -index 1 $atomlist]
795	} elseif {$expgui(asorttype) == "number"} {
796	# sort on atom number
797	set namehead "* name "
798	foreach atom $expmap(atomlist_$phase) {
799	lappend atomlist "$atom $atom $phase"
800	}
801	set expmap(atomlistboxcontents) [lsort -integer -index 1 $atomlist]
802	} elseif {$expgui(asorttype) == "mult"} {
803	# sort on atom number
804	set multhead "Mlt*"
805	foreach atom $expmap(atomlist_$phase) {
806	lappend atomlist "$atom [atominfo $phase $atom mult] $phase"
807	}
808	set expmap(atomlistboxcontents) [lsort -integer -decreasing -index 1 $atomlist]
809	} elseif {$expgui(asorttype) == "occupancy"} {
810	# sort on atom number
811	set frachead " Occup* "
812	foreach atom $expmap(atomlist_$phase) {
813	lappend atomlist "$atom [atominfo $phase $atom frac] $phase"
814	}
815	set expmap(atomlistboxcontents) [lsort -real -decreasing -index 1 $atomlist]
816	} elseif {$expgui(asorttype) == "x"} {
817	# sort on x
818	set coordhead "(x*)"
819	foreach atom $expmap(atomlist_$phase) {
820	lappend atomlist "$atom [atominfo $phase $atom x] $phase"
821	}
822	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
823	} elseif {$expgui(asorttype) == "y"} {
824	# sort on y
825	set coordhead "(y*)"
826	foreach atom $expmap(atomlist_$phase) {
827	lappend atomlist "$atom [atominfo $phase $atom y] $phase"
828	}
829	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
830	} elseif {$expgui(asorttype) == "z"} {
831	# sort on z
832	set coordhead "(z*)"
833	foreach atom $expmap(atomlist_$phase) {
834	lappend atomlist "$atom [atominfo $phase $atom z] $phase"
835	}
836	set expmap(atomlistboxcontents) [lsort -real -index 1 $atomlist]
837	} else {
838	error "Bad expgui(asorttype) = $expgui(asorttype)"
839	}
840
841	foreach tuple $expmap(atomlistboxcontents) {
842	set atom [lindex $tuple 0]
843	set phase [lindex $tuple 2]
844	set refflag {}
845	foreach type {x u f} {
846	if {[atominfo $phase $atom ${type}ref]} {
847	append refflag "[string toupper $type][atominfo $phase $atom ${type}damp] "
848	} else {
849	append refflag " [atominfo $phase $atom ${type}damp] "
850	}
851	}
852	set line [format "%3d %-6s %-6s %8s %10.6f%10.6f%10.6f%4d%9.4f" \
853	$atom \
854	[atominfo $phase $atom label] \
855	[atominfo $phase $atom type] \
856	$refflag \
857	[atominfo $phase $atom x] \
858	[atominfo $phase $atom y] \
859	[atominfo $phase $atom z] \
860	[atominfo $phase $atom mult] \
861	[atominfo $phase $atom frac]
862	]
863
864	# add temperature factors (iso/anoiso)
865	if {[atominfo $phase $atom temptype] == "A"} {
866	set maxline A
867	append line [format " %9.5f%9.5f%9.5f%9.5f%9.5f%9.5f" \
868	[atominfo $phase $atom U11] \
869	[atominfo $phase $atom U22] \
870	[atominfo $phase $atom U33] \
871	[atominfo $phase $atom U12] \
872	[atominfo $phase $atom U23] \
873	[atominfo $phase $atom U13]
874	]
875	} else {
876	append line [format " %9.5f" \
877	[atominfo $phase $atom Uiso]
878	]
879	}
880	$expgui(atomlistbox) insert end $line
881	}
882	$expgui(atomtitle) delete 0 end
883	if {$maxline == "A"} {
884	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
885	$namehead $typehead "ref/damp " \
886	"fractional coordinates$coordhead" \
887	"$multhead $frachead" \
888	" Uiso/Uij "]
889	} else {
890	$expgui(atomtitle) insert end [format "%10s %6s %8s%29s %9s %s" \
891	$namehead $typehead "ref/damp " \
892	"fractional coordinates$coordhead" \
893	"$multhead $frachead" \
894	" Uiso"]
895	}
896	if {$mode != "reset"} {
897	# restore the selected items
898	foreach i $expgui(selectedatomlist) {
899	$expgui(atomlistbox) selection set $i
900	}
901	# restore the last scrolled position
902	$expgui(atomlistbox) yview moveto $pos
903	}
904	set expgui(noreenterDisplayAllAtoms) 0
905	}
906
907	# Procedure to select all atoms in response to a right-click
908	proc SelectAllAtoms {} {
909	global expgui
910	$expgui(atomlistbox) selection set 0 end
911	# call editRecord in case trace was called before the selection was made
912	editRecord
913	}
914
915	# Procedure to respond to left mouse release in the atoms Pane
916	proc editRecord { args } {
917	global entrycmd expgui
918	set expgui(selectedatomlist) [$expgui(atomlistbox) curselection]
919	# disable traces on entryvar for right now
920	set entrycmd(trace) 0
921
922	if {[llength $expgui(selectedatomlist)] == 0} {
923	if $expgui(debug) {error "Attempt display non-existent atoms"}
924	} elseif {[llength $expgui(selectedatomlist)] == 1} {
925	editOneRecord $expgui(selectedatomlist)
926	} else {
927	editMultipleRecords $expgui(selectedatomlist)
928	}
929	# reenable traces on entryvar
930	set entrycmd(trace) 1
931	# repaint the atoms box in case anything was changed
932	# DisplayAllAtoms noreset
933	}
934
935	proc editOneRecord { AtomIndex } {
936	global expmap expgui
937	# get atom number & phase
938	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
939	set atomnum [lindex $tuple 0]
940	set p [lindex $tuple 2]
941	DisplayU $atomnum $p
942	DisplayAtom $atomnum $p
943	DisplayRefFlags $atomnum $p
944	$expgui(EditingAtoms) config -text "Editing atom #$atomnum -- [atominfo $p $atomnum label]"
945	$expgui(atomxform) config -text "Xform Atom" -state normal
946	}
947
948	# this will not work for a multi-phase list of atoms (yet)
949	proc editMultipleRecords { AtomIndexList } {
950	global expmap expgui
951	set numberList {}
952	# current phase
953	set p $expgui(curPhase)
954	foreach AtomIndex $AtomIndexList {
955	# get atom number & phase
956	set tuple [lindex $expmap(atomlistboxcontents) $AtomIndex]
957	lappend numberList [lindex $tuple 0]
958	# set p [lindex $tuple 2]
959	}
960	# this needs to track by phase
961	$expgui(EditingAtoms) config -text \
962	"Set refinement options: atoms [CompressList $numberList]"
963	DisplayU 0 0
964	DisplayAtom 0 0
965	# this needs to track by phase
966	DisplayRefFlags $numberList $p
967	$expgui(atomxform) config -text "Xform Atoms" -state normal
968	}
969
970	# format a string of numbers to save space, e.g. "1 2 3 4 6 7 19 13 14 15"
971	# becomes "1-4,6,7,13-15,19"
972	proc CompressList {numberList} {
973	# format the number list to save space
974	set lastnum -99
975	set flist {}
976	set count 0
977	if [catch {set sortlist [lsort -integer $numberList]}] {return $numberList}
978	foreach num $sortlist {
979	set next [expr $lastnum+1]
980	if {$num != $next} {
981	if {$count == 0 && $flist != ""} {
982	append flist ",$num"
983	} elseif {$count == 1 && $flist != ""} {
984	append flist ",$lastnum,$num"
985	} elseif {$flist != ""} {
986	append flist "-$lastnum,$num"
987	} else {
988	append flist "$num"
989	}
990	set lastnum $num
991	set count 0
992	} else {
993	incr count
994	incr lastnum
995	}
996	}
997	if {$count == 1 && $flist != ""} {
998	append flist ",$lastnum"
999	} elseif {$flist != "" && $count > 1} {
1000	append flist "-$lastnum"
1001	}
1002	return $flist
1003	}
1004
1005	# Procedure to display Isotropic or Anisotropic temperature factors
1006	# Changes the display to one entry widget for Isotropic motion OR
1007	# 6 entry widgets for Anisotropic motion in Frame3.
1008	# or disables the widet entirly if atom = 0
1009	proc DisplayU { atomnum p} {
1010	global expgui entryvar entrycmd
1011	if {$atomnum == 0} {
1012	set iOrA disable
1013	} else {
1014	set iOrA [atominfo $p $atomnum temptype]
1015	}
1016
1017	set firstbox [lindex $expgui(anisolabels) 0]
1018	if { $iOrA == "A" } {
1019	$firstbox config -text "U11 "
1020	foreach item $expgui(anisolabels) {
1021	$item config -fg black
1022	}
1023	foreach item $expgui(anisoentry) var {U11 U22 U33 U12 U13 U23} {
1024	set entrycmd($var) "atominfo $p $atomnum $var"
1025	set entryvar($var) [eval $entrycmd($var)]
1026	$item config -fg black -state normal -bg white
1027	}
1028	} elseif { $iOrA == "I" \|\| $iOrA == "disable"} {
1029	foreach item $expgui(anisolabels) {
1030	# $item config -fg grey
1031	$item config -fg beige
1032	}
1033	foreach item [lrange $expgui(anisoentry) 1 end] \
1034	var {U22 U33 U12 U13 U23} {
1035	set entrycmd($var) ""
1036	set entryvar($var) ""
1037	$item config -fg beige -bg beige -state disabled
1038	}
1039	if { $iOrA == "disable"} {
1040	set entrycmd($var) ""
1041	set entryvar($var) ""
1042	# [lindex $expgui(anisoentry) 0] config -fg white -state disabled
1043	[lindex $expgui(anisoentry) 0] config -fg beige -bg beige -state disabled
1044	} else {
1045	set entrycmd(U11) "atominfo $p $atomnum Uiso"
1046	set entryvar(U11) [eval $entrycmd(U11)]
1047	$firstbox config -text Uiso -fg black
1048	[lindex $expgui(anisoentry) 0] config -fg black -bg white -state normal
1049	}
1050	}
1051	}
1052
1053	# need to think about multiple phases
1054
1055	# Procedure to display refinement flags
1056	proc DisplayRefFlags { atomnum p} {
1057	global expgui entryvar entrycmd
1058	if {$atomnum == 0} {
1059	foreach label $expgui(atomreflbl) {
1060	$label config -fg beige
1061	}
1062	foreach entry $expgui(atomref) {
1063	$entry config -state disabled -fg beige -bg beige
1064	}
1065	return
1066	}
1067	foreach label $expgui(atomreflbl) {
1068	$label config -fg black
1069	}
1070	foreach entry $expgui(atomref) {
1071	$entry config -state normal -fg black -bg beige
1072	}
1073	foreach var {xref uref fref xdamp udamp fdamp} {
1074	set entrycmd($var) "atominfo $p [list $atomnum] $var"
1075	set entryvar($var) [eval $entrycmd($var)]
1076	}
1077	}
1078
1079	# Procedure to display an atom in the atom edit boxes
1080	proc DisplayAtom { atomnum p} {
1081	global expgui entryvar entrycmd
1082	if {$atomnum == 0} {
1083	foreach label $expgui(atomlabels) {
1084	$label config -fg beige
1085	}
1086	foreach entry $expgui(atomentry) {
1087	$entry config -state disabled -fg beige -bg beige
1088	}
1089	return
1090	}
1091	foreach label $expgui(atomlabels) {
1092	$label config -fg black
1093	}
1094	foreach entry $expgui(atomentry) {
1095	$entry config -state normal -fg black -bg white
1096	}
1097	foreach var {x y z label frac } {
1098	set entrycmd($var) "atominfo $p $atomnum $var"
1099	set entryvar($var) [eval $entrycmd($var)]
1100	}
1101	}
1102
1103	# make a histogram box; used in MakeHistPane,
1104	proc MakeHistBox {frm} {
1105	global expgui
1106	grid [label $frm.mode -text "Select a Histogram" \
1107	-bg beige -anchor center] \
1108	-row 0 -column 0 -columnspan 2 -sticky ew
1109	bind $frm.mode <Button-1> {
1110	set i [lsearch $expgui(AllowedHistSelectModes) $expgui(globalmode)]
1111	set expgui(globalmode) [lindex \
1112	"$expgui(AllowedHistSelectModes) \
1113	$expgui(AllowedHistSelectModes)" [incr i]]
1114	sethistlist
1115	}
1116	bind $frm.mode <Button-3> {set expgui(globalmode) 0; sethistlist}
1117	grid [listbox $frm.title -height 1 -relief flat \
1118	-exportselection 0 \
1119	-font $expgui(histfont) ] -row 1 -column 0 -sticky ew
1120	grid [listbox $frm.lbox -height 10 -width 25 \
1121	-exportselection 0 \
1122	-font $expgui(histfont) \
1123	-xscrollcommand "$frm.x set" \
1124	-yscrollcommand "$frm.y set" \
1125	] -row 2 -column 0 -sticky news
1126	lappend expgui(HistSelectList) $frm
1127	grid [scrollbar $frm.x -orient horizontal \
1128	-command "move2boxes \" $frm.title $frm.lbox \" "
1129	] -row 3 -column 0 -sticky ew
1130	grid [scrollbar $frm.y \
1131	-command "$frm.lbox yview"] \
1132	-row 2 -column 1 -sticky ns
1133	grid columnconfigure $frm 0 -weight 1
1134	grid rowconfigure $frm 2 -weight 1
1135	}
1136
1137	# update the histogram list
1138	# to do: show histogram ref flags?
1139	proc sethistlist {} {
1140	global expgui expmap
1141	array set lbl {
1142	1 "Select 1 or more\nTOF Histograms"
1143	2 "Select 1 or more\nCW Neutron Histograms"
1144	3 "Select 1 or more\nAlpha 1,2 X-ray Histograms"
1145	4 "Select 1 or more\nmonochromatic X-ray Histograms"
1146	5 "Select 1 or more Energy\nDisperive X-ray Histograms"
1147	6 "Select 1 or more of\n any type Histograms"
1148	}
1149	foreach lbox $expgui(HistSelectList) {
1150	$lbox.title delete 0 end
1151	$lbox.lbox delete 0 end
1152	if {$expgui(globalmode) != 0} {
1153	$lbox.lbox config -selectmode extended
1154	$lbox.mode config -text $lbl($expgui(globalmode)) -bg yellow
1155	} else {
1156	$lbox.lbox config -selectmode browse
1157	$lbox.mode config -text "Select a histogram" -bg beige
1158	}
1159	}
1160	# disable the unallowed pages in all mode
1161	if {$expgui(globalmode) == 6} {
1162	foreach pair $expgui(GlobalModeAllDisable) {
1163	if {$expgui(pagenow) == [lindex $pair 0]} {
1164	RaisePage lsFrame
1165	}
1166	eval [lindex $pair 1] -state disabled
1167	}
1168	} else {
1169	foreach pair $expgui(GlobalModeAllDisable) {
1170	eval [lindex $pair 1] -state normal
1171	}
1172	}
1173	set histlist {}
1174	if {$expgui(hsorttype) == "type"} {
1175	# sort on histogram type
1176	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1177	lappend histlist "$h [string range $expmap(htype_$h) 1 2]"
1178	}
1179	set expmap(histlistboxcontents) [lsort -ascii -index 1 $histlist]
1180	} elseif {$expgui(hsorttype) == "number"} {
1181	# sort on histogram number
1182	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1183	lappend histlist "$h $h"
1184	}
1185	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1186	} elseif {$expgui(hsorttype) == "bank"} {
1187	# sort on original bank number
1188	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1189	lappend histlist "$h [histinfo $h bank]"
1190	}
1191	set expmap(histlistboxcontents) [lsort -integer -index 1 $histlist]
1192	} elseif {$expgui(hsorttype) == "angle"} {
1193	# sort on wavelength (CW) or angle (E disp.)
1194	foreach h [lsort -integer -increasing $expmap(powderlist)] {
1195	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1196	set det [format %8.2f [histinfo $h tofangle]]
1197	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1198	set det [format %8.5f [histinfo $h lam1]]
1199	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1200	set det [format %8.2f [histinfo $h lam1]]
1201	} else {
1202	set det {}
1203	}
1204	lappend histlist "$h $det"
1205	}
1206	set expmap(histlistboxcontents) [lsort -real -index 1 $histlist]
1207	}
1208
1209	# title field needs to match longest title
1210	foreach lbox $expgui(HistSelectList) {
1211	$lbox.title insert end [format "%2s %s %4s %8s %-67s" \
1212	"h#" \
1213	type \
1214	bank \
1215	"ang/wave" \
1216	" title" \
1217	]
1218	}
1219	foreach tuple $expmap(histlistboxcontents) {
1220	set h [lindex $tuple 0]
1221
1222	if {$expgui(globalmode) == 1} {
1223	if {[string range $expmap(htype_$h) 2 2] != "T"} continue
1224	} elseif {$expgui(globalmode) == 2} {
1225	if {[string range $expmap(htype_$h) 1 2] != "NC"} continue
1226	} elseif {$expgui(globalmode) == 3} {
1227	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1228	[histinfo $h lam2] == 0.0} continue
1229	} elseif {$expgui(globalmode) == 4} {
1230	if {[string range $expmap(htype_$h) 1 2] != "XC" \|\| \
1231	[histinfo $h lam2] != 0.0} continue
1232	} elseif {$expgui(globalmode) == 5} {
1233	if {[string range $expmap(htype_$h) 1 2] != "XE"} continue
1234	}
1235
1236	if {[string range $expmap(htype_$h) 2 2] == "T"} {
1237	set det [format %8.2f [histinfo $h tofangle]]
1238	} elseif {[string range $expmap(htype_$h) 2 2] == "C"} {
1239	set det [format %8.5f [histinfo $h lam1]]
1240	} elseif {[string range $expmap(htype_$h) 2 2] == "E"} {
1241	set det [format %8.2f [histinfo $h lam1]]
1242	} else {
1243	set det {}
1244	}
1245	foreach lbox $expgui(HistSelectList) {
1246	$lbox.lbox insert end [format "%2d %s %4d %8s %-67s" \
1247	$h \
1248	[string range $expmap(htype_$h) 1 2] \
1249	[histinfo $h bank] \
1250	$det \
1251	[string range [histinfo $h title] 0 66] \
1252	]
1253	}
1254	}
1255	UpdateCurrentPage
1256	}
1257
1258	proc UpdateCurrentPage {} {
1259	global expgui
1260	foreach set $expgui(frameactionlist) {
1261	if {$expgui(pagenow) == [lindex $set 0]} {catch [lindex $set 1]}
1262	}
1263	}
1264
1265	#-----------------------------------------------------------------------
1266	# ----------- draw Histogram page
1267	#-----------------------------------------------------------------------
1268	proc DisplayHistogram {} {
1269	global expgui entrycmd entryvar expmap
1270
1271	# trap if more than one histogram is selected unless global mode
1272	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1273	set expgui(curhist) [lindex $expgui(curhist) 0]
1274	}
1275
1276	# display the selected histograms
1277	$expgui(histFrame).hs.lbox selection clear 0 end
1278	foreach h $expgui(curhist) {
1279	$expgui(histFrame).hs.lbox selection set $h
1280	}
1281
1282	# disable traces on entryvar for right now
1283	set entrycmd(trace) 0
1284
1285	# get histogram list
1286	set histlist {}
1287	foreach item $expgui(curhist) {
1288	lappend histlist [lindex $expmap(powderlist) $item]
1289	}
1290	# must have at least one histogram selected here
1291	if {[llength $histlist] == 0} {
1292	set expgui(backtermlbl) ""
1293	set expgui(backtypelbl) ""
1294	foreach var {bref bdamp} {
1295	set entrycmd($var) ""
1296	set entryvar($var) ""
1297	}
1298	$expgui(histFrame).top.txt config -text "No Selected Histograms"
1299	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1300	set expgui(bkglbl) ""
1301	eval destroy [winfo children $expgui(diffBox)]
1302	set entrycmd(trace) 1
1303	return
1304	}
1305
1306	if {$expgui(globalmode) != 0} {
1307	set expgui(backtermlbl) ""
1308	set expgui(backtypelbl) ""
1309	foreach var {bref bdamp} {
1310	set entrycmd($var) "histinfo [list $histlist] $var"
1311	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1312	}
1313	} else {
1314	set hist $histlist
1315	set terms [histinfo $hist backterms]
1316	set expgui(backtermlbl) "($terms terms)"
1317	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
1318	foreach var {bref bdamp} {
1319	set entrycmd($var) "histinfo $hist $var"
1320	set entryvar($var) [eval $entrycmd($var)]
1321	}
1322	}
1323	# Top box
1324	if $expgui(haveBW) {
1325	catch {destroy $expgui(histFrame).pflag}
1326	}
1327	if {$expgui(globalmode) != 0} {
1328	$expgui(histFrame).top.txt config \
1329	-text "Selected Histograms: [CompressList $histlist]"
1330	grid $expgui(histFrame).top -column 1 -row 0 -sticky nsew
1331	set expgui(bkglbl) "Globally Edit Background"
1332	} else {
1333	grid forget $expgui(histFrame).top
1334	set expgui(bkglbl) "Edit Background"
1335	if {$expgui(haveBW) && [llength $expmap(phaselist)] > 1} {
1336	TitleFrame $expgui(histFrame).pflag \
1337	-borderwidth 4 -side left -relief groove \
1338	-text "Phase Flags"
1339	set expgui(pflag) [$expgui(histFrame).pflag getframe]
1340	grid $expgui(histFrame).pflag -column 1 -row 1 -sticky nsew
1341	grid rowconfigure $expgui(histFrame) 2 -minsize 35
1342	foreach p $expmap(phaselist) {
1343	pack [checkbutton $expgui(pflag).$p \
1344	-command "GetPhaseFlags $hist" \
1345	-variable expgui(pflag$p) -text $p] -side left
1346	if {[lsearch $expmap(phaselist_$hist) $p] == -1} {
1347	set expgui(pflag$p) 0
1348	} else {
1349	set expgui(pflag$p) 1
1350	}
1351	}
1352	}
1353	}
1354
1355	# diffractometer constants
1356	foreach var {lam1 lam2 kratio pola ipola ddamp zero \
1357	wref pref dcref daref ratref ttref zref } {
1358	set entrycmd($var) "histinfo [list $histlist] $var"
1359	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1360	}
1361
1362	eval destroy [winfo children $expgui(diffBox)]
1363	if {$expgui(globalmode) == 0} {
1364	if {[string range $expmap(htype_$hist) 2 2] == "T"} {
1365	#------
1366	# TOF \|
1367	#------
1368	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1369	-column 1 -row 1
1370	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1371	-column 2 -row 1
1372	grid [ label $expgui(diffBox).lDCdifc -text DIFC ] \
1373	-column 3 -row 1 -sticky w
1374	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1375	-width 15 ] -column 4 -row 1
1376	#
1377	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1378	-column 1 -row 2
1379	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1380	-column 2 -row 2
1381	grid [ label $expgui(diffBox).lDCdifa -text DIFA ] \
1382	-column 3 -row 2
1383	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1384	-width 15 ] -column 4 -row 2
1385	#
1386	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1387	-column 3 -row 3
1388	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1389	-width 15 ] -column 4 -row 3
1390	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1391	-column 1 -row 3 -sticky w
1392	grid [ checkbutton $expgui(diffBox).rfDCzref \
1393	-variable entryvar(zref) ] -column 2 -row 3
1394	} elseif {[string range $expmap(htype_$hist) 1 2] == "NC"} {
1395	#---------------
1396	# CW - neutron \|
1397	#---------------
1398	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1399	-column 1 -row 1
1400	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1401	-column 2 -row 1
1402	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1403	-column 3 -row 1 -sticky w
1404	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1405	-width 15 ] -column 4 -row 1
1406	#
1407	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1408	-column 1 -row 3 -sticky w
1409	grid [ checkbutton $expgui(diffBox).rfDCzref \
1410	-variable entryvar(zref) ] -column 2 -row 3
1411	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1412	-column 3 -row 3
1413	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1414	-width 15 ] -column 4 -row 3
1415	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC" && \
1416	[histinfo $hist lam2] == 0.0} {
1417	#--------------------------
1418	# CW - x-ray 1 wavelength \|
1419	#--------------------------
1420	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1421	-column 1 -row 1
1422	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1423	-column 2 -row 1
1424	grid [ label $expgui(diffBox).lDCdifc -text wave ] \
1425	-column 3 -row 1 -sticky w
1426	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1427	-width 15 ] -column 4 -row 1
1428	#
1429	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1430	-column 1 -row 3 -sticky w
1431	grid [ checkbutton $expgui(diffBox).rfDCzref \
1432	-variable entryvar(zref) ] -column 2 -row 3
1433	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1434	-column 3 -row 3
1435	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1436	-width 15 ] -column 4 -row 3
1437	#
1438	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1439	-column 1 -row 4 -sticky w
1440	grid [ checkbutton $expgui(diffBox).rfDCpref \
1441	-variable entryvar(pref) ] -column 2 -row 4
1442	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1443	-column 3 -row 4
1444	grid [ entry $expgui(diffBox).eDCpola \
1445	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1446	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1447	-column 5 -row 4
1448	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1449	-textvariable entryvar(ipola)] -column 6 -row 4
1450	} elseif {[string range $expmap(htype_$hist) 1 2] == "XC"} {
1451	#---------------------------
1452	# CW - x-ray 2 wavelengths \|
1453	#---------------------------
1454	grid [ label $expgui(diffBox).lDCdifc -text wavelengths ] \
1455	-column 3 -row 1 -sticky w
1456	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1457	-width 15 ] -column 4 -row 1
1458	grid [ entry $expgui(diffBox).eDCdifa -textvariable entryvar(lam2) \
1459	-width 15 ] -column 5 -row 1
1460	#
1461	grid [ label $expgui(diffBox).lDCrref -text "Refine ratio" ] \
1462	-column 1 -row 2 -sticky w
1463	grid [ checkbutton $expgui(diffBox).rfDCrref \
1464	-variable entryvar(ratref) ] -column 2 -row 2
1465	grid [ label $expgui(diffBox).lDCratio -text Ratio ] \
1466	-column 3 -row 2
1467	grid [ entry $expgui(diffBox).eDCkratio \
1468	-textvariable entryvar(kratio) \
1469	-width 15 ] -column 4 -row 2
1470	#
1471	grid [ label $expgui(diffBox).lDCzero -text "Zero"] \
1472	-column 3 -row 3
1473	grid [ entry $expgui(diffBox).eDCzero -textvariable entryvar(zero) \
1474	-width 15 ] -column 4 -row 3
1475	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1476	-column 1 -row 3 -sticky w
1477	grid [ checkbutton $expgui(diffBox).rfDCzref \
1478	-variable entryvar(zref) ] -column 2 -row 3
1479	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1480	-column 1 -row 4 -sticky w
1481	grid [ checkbutton $expgui(diffBox).rfDCpref \
1482	-variable entryvar(pref) ] -column 2 -row 4
1483	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1484	-column 3 -row 4
1485	grid [ entry $expgui(diffBox).eDCpola \
1486	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1487	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1488	-column 5 -row 4
1489	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1490	-textvariable entryvar(ipola)] -column 6 -row 4
1491	} elseif {[string range $expmap(htype_$hist) 1 2] == "XE"} {
1492	#-------------
1493	# ED - x-ray \|
1494	#-------------
1495	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1496	-column 1 -row 1
1497	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1498	-column 2 -row 1
1499	grid [ label $expgui(diffBox).lDCdifc -text 2Theta ] \
1500	-column 3 -row 1 -sticky w
1501	grid [ entry $expgui(diffBox).eDCdifc -textvariable entryvar(lam1) \
1502	-width 15 ] -column 4 -row 1
1503	#
1504	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1505	-column 1 -row 4 -sticky w
1506	grid [ checkbutton $expgui(diffBox).rfDCpref \
1507	-variable entryvar(pref) ] -column 2 -row 4
1508	grid [ label $expgui(diffBox).lDCpola -text POLA ] \
1509	-column 3 -row 4
1510	grid [ entry $expgui(diffBox).eDCpola \
1511	-textvariable entryvar(pola) -width 15 ] -column 4 -row 4
1512	grid [ label $expgui(diffBox).lDCipola -text "IPOLA" ] \
1513	-column 5 -row 4
1514	grid [ entry $expgui(diffBox).eDCipola -width 2 \
1515	-textvariable entryvar(ipola)] -column 6 -row 4
1516	}
1517	} elseif {$expgui(globalmode) == 1} {
1518	#-------------
1519	# Global TOF \|
1520	#-------------
1521	grid [ label $expgui(diffBox).lDCrc -text "Refine DIFC" ] \
1522	-column 1 -row 1
1523	grid [ checkbutton $expgui(diffBox).rfDCrc -variable entryvar(dcref) ] \
1524	-column 2 -row 1
1525	grid [button $expgui(diffBox).bDCdifc -text "Set DIFC Globally" \
1526	-command "editglobalparm histinfo difc {DIFC}"] -column 3 -row 1
1527	#
1528	grid [ label $expgui(diffBox).lDCra -text "Refine DIFA" ] \
1529	-column 1 -row 2
1530	grid [ checkbutton $expgui(diffBox).rfDCra -variable entryvar(daref) ] \
1531	-column 2 -row 2
1532	grid [ button $expgui(diffBox).bDCdifa -text "Set DIFA Globally" \
1533	-command "editglobalparm histinfo difa {DIFA}"] -column 3 -row 2
1534	#
1535	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1536	-column 1 -row 3 -sticky w
1537	grid [ checkbutton $expgui(diffBox).rfDCzref \
1538	-variable entryvar(zref) ] -column 2 -row 3
1539	grid [ button $expgui(diffBox).bDCzero -text "Set ZERO Globally" \
1540	-command "editglobalparm histinfo zero {Zero}"] -column 3 -row 3
1541	} elseif {$expgui(globalmode) == 2} {
1542	#--------------------
1543	# Global CW neutron \|
1544	#--------------------
1545	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1546	-column 1 -row 1
1547	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1548	-column 2 -row 1
1549	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1550	-command "editglobalparm histinfo lam1 Wavelength"] \
1551	-column 3 -row 1
1552	#
1553	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1554	-column 1 -row 3 -sticky w
1555	grid [ checkbutton $expgui(diffBox).rfDCzref \
1556	-variable entryvar(zref) ] -column 2 -row 3
1557	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1558	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1559	} elseif {$expgui(globalmode) == 4} {
1560	#----------------------
1561	# Global CW mono xray \|
1562	#----------------------
1563	grid [ label $expgui(diffBox).lDC1 -text "Refine wave" ] \
1564	-column 1 -row 1
1565	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(wref) ] \
1566	-column 2 -row 1
1567	grid [button $expgui(diffBox).bDCdifc -text "Set Wave Globally" \
1568	-command "editglobalparm histinfo lam1 Wavelength"] \
1569	-column 3 -row 1
1570	#
1571	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1572	-column 1 -row 3 -sticky w
1573	grid [ checkbutton $expgui(diffBox).rfDCzref \
1574	-variable entryvar(zref) ] -column 2 -row 3
1575	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1576	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1577	#
1578	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1579	-column 1 -row 4 -sticky w
1580	grid [ checkbutton $expgui(diffBox).rfDCpref \
1581	-variable entryvar(pref) ] -column 2 -row 4
1582	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1583	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1584	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1585	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1586	} elseif {$expgui(globalmode) == 3} {
1587	#------------------------
1588	# Global alpha 1,2 xray \|
1589	#------------------------
1590	grid [button $expgui(diffBox).bDCl1 -text "Set Wave1 Globally" \
1591	-command "editglobalparm histinfo lam1 {Wavelength 1}"] \
1592	-column 3 -row 1
1593	grid [button $expgui(diffBox).bDCl2 -text "Set Wave2 Globally" \
1594	-command "editglobalparm histinfo lam2 {Wavelength 2}"] \
1595	-column 4 -row 1
1596	#
1597	grid [ label $expgui(diffBox).lDCratref -text "Refine Ratio" ] \
1598	-column 1 -row 3 -sticky w
1599	grid [ checkbutton $expgui(diffBox).rfDCratref \
1600	-variable entryvar(ratref) ] -column 2 -row 3
1601	grid [button $expgui(diffBox).bDCrrat -text "Set Ratio Globally" \
1602	-command "editglobalparm histinfo ratio {Wavelength Ratio}"] \
1603	-column 3 -row 3
1604	#
1605	grid [ label $expgui(diffBox).lDCzref -text "Refine zero" ] \
1606	-column 1 -row 3 -sticky w
1607	grid [ checkbutton $expgui(diffBox).rfDCzref \
1608	-variable entryvar(zref) ] -column 2 -row 3
1609	grid [button $expgui(diffBox).bDCzero -text "Set Zero Globally" \
1610	-command "editglobalparm histinfo zero Zero"] -column 3 -row 3
1611	#
1612	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1613	-column 1 -row 4 -sticky w
1614	grid [ checkbutton $expgui(diffBox).rfDCpref \
1615	-variable entryvar(pref) ] -column 2 -row 4
1616	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1617	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1618	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1619	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1620	} elseif {$expgui(globalmode) == 5} {
1621	#-----------------
1622	# Global ED xray \|
1623	#-----------------
1624	grid [ label $expgui(diffBox).lDC1 -text "Refine 2theta" ] \
1625	-column 1 -row 1
1626	grid [ checkbutton $expgui(diffBox).rfDC1 -variable entryvar(ttref) ] \
1627	-column 2 -row 1
1628	grid [button $expgui(diffBox).bDCdifc -text "Set 2Theta Globally" \
1629	-command "editglobalparm histinfo ratio {Fixed 2Theta}"] \
1630	-column 3 -row 1
1631	#
1632	grid [ label $expgui(diffBox).lDCpref -text "Refine POLA" ] \
1633	-column 1 -row 4 -sticky w
1634	grid [ checkbutton $expgui(diffBox).rfDCpref \
1635	-variable entryvar(pref) ] -column 2 -row 4
1636	grid [button $expgui(diffBox).bDCpola -text "Set POLA Globally" \
1637	-command "editglobalparm histinfo pola POLA"] -column 3 -row 4
1638	grid [button $expgui(diffBox).bDCipola -text "Set IPOLA Globally" \
1639	-command "editglobalparm histinfo ipola IPOLA"] -column 4 -row 4
1640	}
1641	if {$expgui(globalmode) == 0} {
1642	grid [frame $expgui(diffBox).d] -column 5 -row 5 \
1643	-columnspan 2 -sticky e
1644	} else {
1645	grid [frame $expgui(diffBox).d] -column 4 -row 5 \
1646	-columnspan 2 -sticky e
1647	}
1648	grid [label $expgui(diffBox).d.lDamp -text "Damping "] \
1649	-column 1 -row 1
1650	tk_optionMenu $expgui(diffBox).d.om entryvar(ddamp) 0 1 2 3 4 5 6 7 8 9
1651	grid $expgui(diffBox).d.om -column 2 -row 1
1652	grid columnconfigure $expgui(diffBox) 9 -weight 1
1653	grid columnconfigure $expgui(diffBox) 0 -weight 1
1654	update idletasks
1655	# enable traces on entryvar now
1656	set entrycmd(trace) 1
1657	}
1658
1659	# this gets the phase flags as set in the expgui(pflag*) elements
1660	# (linked to phase flag checkbuttons) and the sets the "HST xx NPHAS" flags
1661	# accordingly using SetPhaseFlag
1662	proc GetPhaseFlags {hist} {
1663	global expmap expgui
1664	set plist {}
1665	foreach p $expmap(phaselist) {
1666	if {$expgui(pflag$p)} {lappend plist $p}
1667	}
1668	SetPhaseFlag $hist $plist
1669	incr expgui(changed)
1670	mapexp
1671	}
1672
1673	#-----------------------------------------------------------------------
1674	# populate the Scaling page
1675	#-----------------------------------------------------------------------
1676	proc DisplayFrac {} {
1677	global expgui entrycmd entryvar expmap
1678
1679	# trap if more than one histogram is selected unless global mode
1680	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1681	set expgui(curhist) [lindex $expgui(curhist) 0]
1682	}
1683
1684	# display the selected histograms
1685	$expgui(fracFrame).hs.lbox selection clear 0 end
1686	foreach h $expgui(curhist) {
1687	$expgui(fracFrame).hs.lbox selection set $h
1688	}
1689
1690	# disable traces on entryvar
1691	set entrycmd(trace) 0
1692
1693	# get histogram list
1694	set histlist {}
1695	foreach item $expgui(curhist) {
1696	lappend histlist [lindex $expmap(powderlist) $item]
1697	}
1698
1699	# must have at least one histogram selected here
1700	if {[llength $histlist] == 0} {
1701	foreach var {scale sref sdamp} {
1702	set entrycmd($var) ""
1703	set entryvar($var) ""
1704	}
1705	set parm [grid info $expgui(scaleBox).but1]
1706	if {$parm != ""} {
1707	grid forget $expgui(scaleBox).but1
1708	eval grid $expgui(scaleBox).ent1 $parm
1709	}
1710	# destroy the contents of the frame
1711	set phaseFractf1 $expgui(FracBox).f
1712	eval destroy [winfo children $phaseFractf1]
1713	# reenable traces on entryvar
1714	set entrycmd(trace) 1
1715	return
1716	}
1717
1718	#--------------
1719	# Scale factor
1720	#--------------
1721	if {$expgui(globalmode) != 0} {
1722	foreach var {scale sref sdamp} {
1723	set entrycmd($var) "histinfo [list $histlist] $var"
1724	set entryvar($var) [histinfo [lindex $histlist 0] $var]
1725	}
1726	set parm [grid info $expgui(scaleBox).ent1]
1727	if {$parm != ""} {
1728	grid forget $expgui(scaleBox).ent1
1729	eval grid $expgui(scaleBox).but1 $parm
1730	}
1731	} else {
1732	set hist $histlist
1733	foreach var {scale sref sdamp} {
1734	set entrycmd($var) "histinfo $hist $var"
1735	set entryvar($var) [eval $entrycmd($var)]
1736	}
1737	set parm [grid info $expgui(scaleBox).but1]
1738	if {$parm != ""} {
1739	grid forget $expgui(scaleBox).but1
1740	eval grid $expgui(scaleBox).ent1 $parm
1741	}
1742	}
1743
1744	#----------------
1745	# Phase Fractions
1746	#----------------
1747	set phaseFractf1 $expgui(FracBox).f
1748	# destroy the contents of the frame
1749	eval destroy [winfo children $phaseFractf1]
1750	if {$expgui(globalmode) != 0} {
1751	set txt "Phase Fractions for Histograms: [CompressList $histlist]"
1752	} else {
1753	set txt "Phase Fractions"
1754	}
1755	if $expgui(haveBW) {
1756	$expgui(fracFrame).f1.phaseFrac configure -text $txt
1757	} else {
1758	grid [label $phaseFractf1.txt -anchor center -text $txt] \
1759	-column 0 -row 0 -sticky news
1760	}
1761	# Create the frame inside the canvas, One frame for each Phase.
1762	foreach i {1 2 3 4 5 6 7 8 9} {set phasehistlist($i) ""}
1763	foreach hist $histlist {
1764	foreach i $expmap(phaselist_$hist) {
1765	lappend phasehistlist($i) $hist
1766	}
1767	}
1768	foreach i {1 2 3 4 5 6 7 8 9} {
1769	if {[llength $phasehistlist($i)] == 0} continue
1770	set framePF [frame $phaseFractf1.pF$i -relief groove -bd 4]
1771	grid $framePF -column 0 -row $i -sticky ew
1772	# Label Heading for each phase.
1773	if {$expgui(globalmode) != 0} {
1774	grid [label $framePF.l1 \
1775	-text "Phase $i Hist: [CompressList $phasehistlist($i)]"] \
1776	-column 0 -row 0 -sticky nws
1777	grid [button $framePF.but1 -text "Set Globally" \
1778	-command "editglobalparm hapinfo frac \"Phase $i Fraction\" \
1779	[list $phasehistlist($i)] $i" \
1780	] -column 1 -row 0
1781	} else {
1782	grid [label $framePF.l1 -text "Phase $i"] \
1783	-column 0 -row 0 -sticky nws
1784	grid [entry $framePF.ent -textvariable entryvar(frac$i) -width 15]\
1785	-column 1 -row 0
1786	}
1787	set entrycmd(frac$i) "hapinfo $hist $i frac"
1788	set entryvar(frac$i) [hapinfo $hist $i frac]
1789	grid [label $framePF.l2 -text " Refine"] \
1790	-column 2 -row 0 -sticky nws
1791	grid [checkbutton $framePF.cb -variable entryvar(frref$i)] \
1792	-column 3 -row 0 -sticky nws
1793	set entrycmd(frref$i) "hapinfo $hist $i frref"
1794	set entryvar(frref$i) [hapinfo $hist $i frref]
1795	grid [label $framePF.l3 -text " Damping"] \
1796	-column 4 -row 0 -sticky nws
1797	tk_optionMenu $framePF.tkOptDamp entryvar(frdamp$i) \
1798	0 1 2 3 4 5 6 7 8 9
1799	set entrycmd(frdamp$i) "hapinfo $hist $i frdamp"
1800	set entryvar(frdamp$i) [hapinfo $hist $i frdamp]
1801	grid $framePF.tkOptDamp -row 0 -sticky nsw -column 5
1802	}
1803	# resize the scroll window to match the actual
1804	update idletasks
1805	$expgui(FracBox) config -scrollregion [grid bbox $expgui(FracBox).f]
1806	$expgui(FracBox) config -width [lindex [grid bbox $expgui(FracBox).f] 2]
1807	update idletasks
1808	# enable traces on entryvar now
1809	set entrycmd(trace) 1
1810	}
1811
1812	#-----------------------------------------------------------------------
1813	# display the profile page
1814	#-----------------------------------------------------------------------
1815	proc DisplayProfile {} {
1816	global expgui entrycmd entryvar expmap
1817
1818	# trap if more than one histogram is selected unless global mode
1819	if {$expgui(globalmode) == 0 && [llength $expgui(curhist)] > 1} {
1820	set expgui(curhist) [lindex $expgui(curhist) 0]
1821	}
1822	# display the selected histograms
1823	$expgui(profFrame).hs.lbox selection clear 0 end
1824	foreach h $expgui(curhist) {
1825	$expgui(profFrame).hs.lbox selection set $h
1826	}
1827
1828	# destroy the contents of the frame
1829	eval destroy [winfo children $expgui(ProfileBox).f]
1830
1831	if {$expgui(globalmode) == 0} {
1832	# must have at least one histogram selected here
1833	if {[llength $expgui(curhist)] == 0} return
1834	# disable traces on entryvar for right now
1835	set entrycmd(trace) 0
1836	set hist [lindex $expmap(powderlist) $expgui(curhist)]
1837	# no defined histograms?
1838	if {$hist == ""} return
1839	# Create one frame for each Phase.
1840	set ind -1
1841	set htype [string range $expmap(htype_$hist) 2 2]
1842	foreach i $expmap(phaselist_$hist) {
1843	incr ind
1844	# Label Heading for each phase.
1845	set ptype [string trim [hapinfo $hist $i proftype]]
1846	if {$expgui(haveBW)} {
1847	grid [TitleFrame $expgui(ProfileBox).f.$i \
1848	-text "Hist $hist -- Phase $i (type $ptype)" \
1849	-relief groove -bd 2] \
1850	-column 0 -row $ind -sticky ew
1851	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1852	grid [frame $ProfileFrame.1] \
1853	-column 0 -row 0 -columnspan 10
1854	pack [label $ProfileFrame.1.l \
1855	-text Damping]\
1856	-side left
1857	} else {
1858	grid [frame $expgui(ProfileBox).f.$i -relief groove -bd 4] \
1859	-column 0 -row $ind -sticky ew
1860	set ProfileFrame $expgui(ProfileBox).f.$i
1861	grid [frame $ProfileFrame.1] \
1862	-column 0 -row 0 -columnspan 10 -sticky ew
1863	pack [label $ProfileFrame.1.l \
1864	-text "Phase $i (type $ptype) Damping"]\
1865	-side left
1866	}
1867	tk_optionMenu $ProfileFrame.1.tkOptDamp entryvar(pdamp_$i) \
1868	0 1 2 3 4 5 6 7 8 9
1869	set entrycmd(pdamp_$i) "hapinfo $hist $i pdamp"
1870	set entryvar(pdamp_$i) [hapinfo $hist $i pdamp]
1871	pack $ProfileFrame.1.tkOptDamp -side left
1872	pack [label $ProfileFrame.1.l1 \
1873	-text " Peak cutoff"]\
1874	-side left
1875	pack [entry $ProfileFrame.1.e1 \
1876	-width 10 -textvariable entryvar(pcut_$i)]\
1877	-side left
1878	set entrycmd(pcut_$i) "hapinfo $hist $i pcut"
1879	set entryvar(pcut_$i) [hapinfo $hist $i pcut]
1880
1881	pack [button $ProfileFrame.1.b1 \
1882	-text "Change Type" \
1883	-command "ChangeProfileType $hist $i"]\
1884	-side left
1885
1886	set col -1
1887	set row 1
1888	set nterms [hapinfo $hist $i profterms]
1889	set lbls "dummy [GetProfileTerms $i $hist $ptype]"
1890	for { set num 1 } { $num <= $nterms } { incr num } {
1891	set term {}
1892	catch {set term [lindex $lbls $num]}
1893	if {$term == ""} {set term $num}
1894	incr col
1895	grid [label $ProfileFrame.l${num}_${i} -text "$term"] \
1896	-row $row -column $col
1897	incr col
1898	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1899	-variable entryvar(pref${num}_$i)] -row $row -column $col
1900	set entrycmd(pref${num}_$i) "hapinfo $hist $i pref$num"
1901	set entryvar(pref${num}_$i) [hapinfo $hist $i pref$num]
1902	incr col
1903	grid [entry $ProfileFrame.ent${num}_${i} \
1904	-textvariable entryvar(pterm${num}_$i)\
1905	-width 12] -row $row -column $col
1906	set entrycmd(pterm${num}_$i) "hapinfo $hist $i pterm$num"
1907	set entryvar(pterm${num}_$i) [hapinfo $hist $i pterm$num]
1908	if {$col > 6} {set col -1; incr row}
1909	}
1910	}
1911	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
1912	} else {
1913	# get histogram list
1914	set histlist {}
1915	foreach item $expgui(curhist) {
1916	lappend histlist [lindex $expmap(powderlist) $item]
1917	}
1918	# must have at least one histogram selected here
1919	if {[llength $histlist] == 0} return
1920	# disable traces on entryvar for right now
1921	set entrycmd(trace) 0
1922	# loop through histograms & phases, set up an array by phase & profile type
1923	catch {unset prtyparray histarray phasearray}
1924	foreach hist $histlist {
1925	foreach phase $expmap(phaselist_$hist) {
1926	set prtyp [string trim [hapinfo $hist $phase proftype]]
1927	set key ${prtyp}_$phase
1928	lappend prtyparray($key) $hist
1929	lappend histarray($key) $hist
1930	lappend phasearray($key) $phase
1931	}
1932	}
1933
1934	set ptype ""
1935	set i -1
1936	# loop over all combined phases and profile types, sorted 1st by profile number
1937	foreach key [lsort [array names prtyparray]] {
1938	# split key
1939	scan $key %d_%d prftyp p
1940
1941	if {$ptype != $prftyp \|\| !$expgui(globalphasemode)} {
1942	set ptype $prftyp
1943	set curhistlist $histarray($key)
1944	set curphaslist $phasearray($key)
1945
1946	set hist1 [lindex $curhistlist 0]
1947	set phase1 [lindex $curphaslist 0]
1948	set nterms [hapinfo $hist1 $phase1 profterms]
1949	set htype [string range $expmap(htype_$hist1) 2 2]
1950	set lbls "dummy [GetProfileTerms $phase1 $hist1 $ptype]"
1951	# Create a frame for this type
1952	incr i
1953	set boxtitle "Phase $p, hist [CompressList $histarray($key)]"
1954	if {$expgui(haveBW)} {
1955	grid [TitleFrame $expgui(ProfileBox).f.$i \
1956	-text "(type $ptype)" \
1957	-relief groove -bd 2] \
1958	-column 0 -row $i -sticky ew
1959	set ProfileFrame [$expgui(ProfileBox).f.$i getframe]
1960	grid [frame $ProfileFrame.0] \
1961	-column 0 -row 0 -columnspan 20 -sticky ew
1962	} else {
1963	grid [frame $expgui(ProfileBox).f.$i \
1964	-relief groove -bd 4] \
1965	-column 0 -row $i -sticky ew
1966	set ProfileFrame $expgui(ProfileBox).f.$i
1967	grid [frame $ProfileFrame.0] \
1968	-column 0 -row 0 -columnspan 20 -sticky ew
1969	grid [label $ProfileFrame.0.0 \
1970	-text "Profile Type $ptype "] -row 0 -column 0
1971	}
1972	grid [label $ProfileFrame.0.1 \
1973	-anchor w] -row 0 -column 1
1974	grid [frame $ProfileFrame.1] \
1975	-column 0 -row 1 -columnspan 20 -sticky ew
1976	grid [label $ProfileFrame.1.2 \
1977	-text "Damping"] -row 0 -column 2
1978	tk_optionMenu $ProfileFrame.1.tkOptDamp \
1979	entryvar(pdamp_$i) 0 1 2 3 4 5 6 7 8 9
1980	grid $ProfileFrame.1.tkOptDamp -row 0 -column 3
1981	grid [button $ProfileFrame.1.edit \
1982	-text "Global Edit"] -row 0 -column 4 -sticky w
1983	set entryvar(pdamp_$i) [hapinfo $hist $phase pdamp]
1984	grid [button $ProfileFrame.1.b1 -text "Change Type"] \
1985	-row 0 -column 5 -sticky w
1986	set col -1
1987	set row 2
1988	for { set num 1 } { $num <= $nterms } { incr num } {
1989	set term {}
1990	catch {set term [lindex $lbls $num]}
1991	if {$term == ""} {set term $num}
1992	incr col
1993	grid [label $ProfileFrame.l${num}_${i} \
1994	-text "$term"] -row $row -column $col
1995	incr col
1996	grid [checkbutton $ProfileFrame.ref${num}_${i} \
1997	-variable entryvar(pref${num}_$i)] \
1998	-row $row -column $col
1999	set entryvar(pref${num}_$i) [hapinfo $hist $phase pref$num]
2000	if {$col > 10} {set col -1; incr row}
2001	}
2002	grid columnconfigure $expgui(ProfileBox).f 0 -weight 1
2003	} else {
2004	# add to the current entry
2005	eval lappend curhistlist $histarray($key)
2006	eval lappend curphaslist $phasearray($key)
2007	append boxtitle "\nPhase $p, hist [CompressList $histarray($key)]"
2008	}
2009	$ProfileFrame.0.1 config -text $boxtitle
2010	$ProfileFrame.1.edit config -command "\
2011	EditProfile \"\n$boxtitle\" \
2012	[list $curhistlist] \
2013	[list $curphaslist]"
2014	$ProfileFrame.1.b1 config -command "ChangeProfileType \
2015	[list $curhistlist] [list $curphaslist]"
2016	set entrycmd(pdamp_$i) "hapinfo \
2017	[list $curhistlist] \
2018	[list $curphaslist] pdamp"
2019	for { set num 1 } { $num <= $nterms } { incr num } {
2020	set entrycmd(pref${num}_$i) "hapinfo \
2021	[list $curhistlist] \
2022	[list $curphaslist] pref$num"
2023	}
2024	}
2025	}
2026
2027	# resize the scroll window to match the actual
2028	update idletasks
2029	$expgui(ProfileBox) config -scrollregion [grid bbox $expgui(ProfileBox).f]
2030	$expgui(ProfileBox) config -width [lindex [grid bbox $expgui(ProfileBox).f] 2]
2031	update idletasks
2032	ResizeNotebook
2033	# enable traces on entryvar now
2034	set entrycmd(trace) 1
2035	}
2036
2037	# process the bit settings in the print options
2038	# bitnum -- the number of the bit to be tested/set starting at 0 for the LSBit
2039	proc printsetting {bitnum "action get" "value {}"} {
2040	global entryvar expgui
2041	if {$action == "get"} {
2042	return [expr ([expinfo print] & int(pow(2,$bitnum))) != 0]
2043	} elseif $value {
2044	set newval [expr ([expinfo print] \| int(pow(2,$bitnum)))]
2045	} else {
2046	set newval [expr ([expinfo print] & ~int(pow(2,$bitnum)))]
2047	}
2048	expinfo print set $newval
2049	set expgui(printopt) "Print Options ([expinfo print])"
2050	}
2051
2052	# need to respond to mouse presses -- control variable associated with extract Fobs
2053	# and set the LeBail extraction flags
2054	proc SetupExtractHist {} {
2055	global expgui entrycmd entryvar expmap
2056
2057	# display the selected histograms
2058	$expgui(lsFrame).hs.lbox selection clear 0 end
2059	foreach h $expgui(curhist) {
2060	$expgui(lsFrame).hs.lbox selection set $h
2061	}
2062
2063	# get histogram list
2064	set histlist {}
2065	foreach item $expgui(curhist) {
2066	set hist [lindex $expmap(powderlist) $item]
2067	if {$hist != ""} {lappend histlist $hist}
2068	}
2069	set entrycmd(fobsextract) "histinfo [list $histlist] foextract"
2070	if {[llength $histlist] == 0 \|\| [string trim $histlist] == ""} {
2071	foreach phase {1 2 3 4 5 6 7 8 9} {
2072	$expgui(FobsExtractFrame).l$phase config -fg grey
2073	set expgui(Fextract$phase) {}
2074	foreach item $expgui(ExtractSettingsRadiobuttons) {
2075	${item}$phase config -state disabled -bd 1
2076	}
2077	}
2078	} elseif {[llength $histlist] == 1} {
2079	# disable traces on entryvar
2080	set entrycmd(trace) 0
2081	set entryvar(fobsextract) [histinfo $histlist foextract]
2082	foreach phase {1 2 3 4 5 6 7 8 9} {
2083	# is the phase present?
2084	if {[lsearch -exact $expmap(phaselist_$histlist) $phase] == -1} {
2085	$expgui(FobsExtractFrame).l$phase config -fg grey
2086	set expgui(Fextract$phase) {}
2087	foreach item $expgui(ExtractSettingsRadiobuttons) {
2088	${item}$phase config -state disabled -bd 1
2089	}
2090	} else {
2091	$expgui(FobsExtractFrame).l$phase config -fg black
2092	foreach item $expgui(ExtractSettingsRadiobuttons) {
2093	${item}$phase config -state normal -bd 2
2094	}
2095	set expgui(Fextract$phase) [hapinfo $histlist $phase extmeth]
2096	}
2097	}
2098	} elseif {[llength $histlist] > 1} {
2099	# disable traces on entryvar
2100	set entrycmd(trace) 0
2101	# multiple histograms need phases in any histogram
2102	foreach phase {1 2 3 4 5 6 7 8 9} {
2103	set gotphase($phase) 0
2104	}
2105	foreach hist $histlist {
2106	foreach phase $expmap(phaselist_$hist) {
2107	set gotphase($phase) 1
2108	}
2109	}
2110	foreach phase {1 2 3 4 5 6 7 8 9} {
2111	set expgui(Fextract$phase) {}
2112	if $gotphase($phase) {
2113	$expgui(FobsExtractFrame).l$phase config -fg black
2114	foreach item $expgui(ExtractSettingsRadiobuttons) {
2115	${item}$phase config -state normal -bd 2
2116	}
2117	} else {
2118	$expgui(FobsExtractFrame).l$phase config -fg grey
2119	foreach item $expgui(ExtractSettingsRadiobuttons) {
2120	${item}$phase config -state disabled -bd 1
2121	}
2122	}
2123	}
2124	}
2125	# reenable traces
2126	set entrycmd(trace) 1
2127	}
2128	# respond to a change in the fobs extraction method for a phase
2129	# force the main extraction flag on, if fobs extraction is selected for any phase
2130	proc HistExtractSet {phase} {
2131	global expgui entryvar expmap
2132	foreach item $expgui(curhist) {
2133	lappend histlist [lindex $expmap(powderlist) $item]
2134	}
2135	hapinfo $histlist $phase extmeth set $expgui(Fextract$phase)
2136	incr expgui(changed)
2137	if {$expgui(Fextract$phase) != 0} {set entryvar(fobsextract) 1}
2138	}
2139	#---------------------------- Global Edit Functions ------------------------
2140	proc editbackground {} {
2141	global expgui expmap entrycmd
2142	set histlist {}
2143	foreach n $expgui(curhist) {
2144	lappend histlist [lindex $expmap(powderlist) $n]
2145	}
2146	if {[llength $histlist] == 0} return
2147
2148	set w .back
2149	catch {destroy $w}
2150	toplevel $w -bg beige
2151	if {$expgui(globalmode) != 0} {
2152	wm title $w "Global Edit Background"
2153	} else {
2154	wm title $w "Edit Background"
2155	}
2156
2157	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2158	] -side top -expand yes -fill both
2159	if {[llength $histlist] > 1} {
2160	grid [label $w.0.a \
2161	-text "Setting background terms for histograms [CompressList $histlist]" \
2162	-bg beige] -row 0 -column 0 -columnspan 10
2163	} else {
2164	grid [label $w.0.a \
2165	-text "Setting background terms for histogram $histlist" \
2166	-bg beige] -row 0 -column 0 -columnspan 10
2167	}
2168	set hist [lindex $histlist 0]
2169	grid [label $w.0.b -text "Function type" -bg beige] -row 1 -column 0
2170
2171	# disable traces on expgui(backtype) & expgui(backterms) now
2172	set entrycmd(trace) 0
2173
2174	# number of terms
2175	set expgui(backtype) [histinfo $hist backtype]
2176	set expgui(orig_backtype) $expgui(backtype)
2177	set expgui(prev_backtype) $expgui(backtype)
2178	set typemenu [tk_optionMenu $w.0.type expgui(backtype) null]
2179	$typemenu delete 0 end
2180	foreach item {
2181	"1 - Shifted Chebyshev"
2182	"2 - Cosine Fourier series"
2183	"3 - Radial distribution peaks"
2184	"4 - Power series in Q**2n/n!"
2185	"5 - Power series in n!/Q**2n"
2186	"6 - Power series in Q2n/n! and n!/Q2n"
2187	"7 - Linear interpolation function"
2188	"8 - Reciprocal interpolation function"
2189	} {
2190	set val [lindex $item 0]
2191	$typemenu insert end radiobutton -variable expgui(backtype) \
2192	-label $item -value $val
2193	}
2194
2195	grid $w.0.type -row 1 -column 1
2196	grid [label $w.0.c -text " Number of terms" -bg beige] -row 1 -column 2
2197
2198	# function type
2199	set expgui(backterms) [histinfo $hist backterms]
2200	set expgui(orig_backterms) $expgui(backterms)
2201	set list {}; for {set i 1} {$i <= 36} {incr i} {lappend list $i}
2202	eval tk_optionMenu $w.0.terms expgui(backterms) $list
2203	grid $w.0.terms -row 1 -column 3
2204	# enable traces on expgui(backtype) & expgui(backterms) now
2205	set entrycmd(trace) 1
2206
2207	#set background terms
2208	for {set num 1 } { $num <= 36 } { incr num } {
2209	set var "bterm$num"
2210	set expgui($var) {}
2211	set expgui(orig_$var) {}
2212	}
2213	if {[llength $histlist] == 1} {
2214	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2215	set var "bterm$num"
2216	set expgui($var) [histinfo $histlist $var]
2217	set expgui(orig_$var) $expgui($var)
2218	}
2219	}
2220
2221	pack [frame $w.1 -bd 6 -relief groove -bg beige] -side top \
2222	-expand yes -fill both
2223	ShowBackTerms $w.1
2224
2225	set expgui(temp) {}
2226	pack [frame $w.b] -side top
2227	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2228	pack [button $w.b.3 -text Quit \
2229	-command "QuitEditBackground $w"] -side left
2230	bind $w <Return> "destroy $w"
2231
2232	# force the window to stay on top
2233	putontop $w
2234
2235	focus $w.b.2
2236	tkwait window $w
2237	afterputontop
2238
2239	if {$expgui(temp) != ""} return
2240
2241	if {$expgui(orig_backtype) != $expgui(backtype)} {
2242	histinfo $histlist backtype set $expgui(backtype)
2243	incr expgui(changed)
2244	}
2245	if {$expgui(orig_backterms) != $expgui(backterms)} {
2246	histinfo $histlist backterms set $expgui(backterms)
2247	incr expgui(changed)
2248	}
2249	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2250	set var "bterm$num"
2251	if {$expgui(orig_$var) != $expgui($var)} {
2252	histinfo $histlist $var set $expgui($var)
2253	incr expgui(changed)
2254	}
2255	}
2256
2257	if {$expgui(globalmode) == 0} {
2258	set expgui(backtypelbl) "Function type [histinfo $hist backtype]"
2259	set expgui(backtermlbl) "([histinfo $hist backterms] terms)"
2260	}
2261	}
2262
2263	trace variable expgui(backterms) w ChangeBackTerms
2264	proc ChangeBackTerms {a b c} {
2265	global entrycmd expgui
2266	if !$entrycmd(trace) return
2267	ShowBackTerms .back.1
2268	}
2269
2270	trace variable expgui(backtype) w ChangeBackType
2271	# reset the terms to 1, 0, 0... when the number of terms increase
2272	proc ChangeBackType {a b c} {
2273	global entrycmd expgui
2274	if !$entrycmd(trace) return
2275	if {$expgui(prev_backtype) == $expgui(backtype)} return
2276	set expgui(prev_backtype) $expgui(backtype)
2277	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2278	set var "bterm$num"
2279	if {$num == 1} {
2280	set expgui($var) 1.0
2281	} else {
2282	set expgui($var) 0.0
2283	}
2284	}
2285	}
2286
2287	proc ShowBackTerms {w } {
2288	global expgui expmap
2289	# destroy the contents of the frame
2290	eval destroy [winfo children $w]
2291	set histlist {}
2292	foreach n $expgui(curhist) {
2293	lappend histlist [lindex $expmap(powderlist) $n]
2294	}
2295	set widgetsPerRow 4
2296	for {set rows 2; set num 1 } { $num <= $expgui(backterms) } { incr rows } {
2297	for {set cols 0} { (2*$widgetsPerRow > $cols) && ($num <= $expgui(backterms)) } { incr num } {
2298	set var "bterm$num"
2299	grid [label $w.l$num -text $num -bg beige] \
2300	-row $rows -column $cols -sticky nes
2301	incr cols
2302	grid [entry $w.e$num -width 15 -textvariable expgui($var) \
2303	] -row $rows -column $cols -sticky news
2304	incr cols
2305	}
2306	}
2307	}
2308
2309	proc QuitEditBackground {w} {
2310	global expgui
2311	# lets find out if anything changed
2312	set changed 0
2313	if {$expgui(orig_backtype) != $expgui(backtype)} {
2314	set changed 1
2315	}
2316	if {$expgui(orig_backterms) != $expgui(backterms)} {
2317	set changed 1
2318	}
2319	for {set num 1 } { $num <= $expgui(backterms) } { incr num } {
2320	set var "bterm$num"
2321	if {$expgui(orig_$var) != $expgui($var)} {
2322	set changed 1
2323	break
2324	}
2325	}
2326	if $changed {
2327	set decision [tk_dialog .changes "Abandon Changes" \
2328	"You have made changes to the background. Ok to abandon changes?" \
2329	warning 0 Abandon Keep]
2330	if !$decision {
2331	set expgui(temp) "Quit"
2332	destroy $w
2333	}
2334	} else {
2335	set expgui(temp) "Quit"
2336	destroy $w
2337	}
2338	}
2339
2340	# this probably needs work
2341	proc editglobalparm {cmd variable title "histlist {}" "phase {}"} {
2342	global expgui expmap
2343	set w .global
2344	catch {destroy $w}
2345	toplevel $w -bg beige
2346	wm title $w "Edit Global Parameter"
2347	set expgui(temp) {}
2348	if {[llength $histlist] == 0} {
2349	set hist {}
2350	foreach n $expgui(curhist) {
2351	lappend hist [lindex $expmap(powderlist) $n]
2352	}
2353	} else {
2354	set hist $histlist
2355	}
2356	pack [frame $w.0 -bd 6 -relief groove -bg beige] \
2357	-side top -expand yes -fill both
2358	grid [label $w.0.a -text "Setting $title for histograms [CompressList $hist]"\
2359	-bg beige] \
2360	-row 0 -column 0 -columnspan 10
2361	grid [entry $w.0.b -textvariable expgui(temp)] \
2362	-row 1 -column 0
2363
2364
2365	pack [frame $w.b] -side top
2366	pack [button $w.b.2 -text Set -command "destroy $w"] -side left
2367	pack [button $w.b.3 -text Quit -command "set expgui(temp) {}; destroy $w"] -side left
2368	bind $w <Return> "destroy $w"
2369
2370	# force the window to stay on top
2371	putontop $w
2372	focus $w.b.2
2373	tkwait window $w
2374	afterputontop
2375
2376	if {$expgui(temp) != ""} {
2377	foreach h $hist {
2378	if {$cmd == "histinfo"} {
2379	histinfo $h $variable set $expgui(temp)
2380	incr expgui(changed)
2381	if $expgui(debug) {
2382	puts "histinfo $h $variable set $expgui(temp)"
2383	}
2384	} elseif {$cmd == "hapinfo"} {
2385	hapinfo $h $phase $variable set $expgui(temp)
2386	incr expgui(changed)
2387	if $expgui(debug) {
2388	puts "hapinfo $phase $h $variable set $expgui(temp)"
2389	}
2390	} else {
2391	error "$cmd unimplemented"
2392	}
2393	}
2394	}
2395	}
2396
2397	proc EditProfile {title histlist phaselist} {
2398	global expgui expmap entrycmd
2399	set w .back
2400	catch {destroy $w}
2401	toplevel $w -bg beige
2402	wm title $w "Global Edit Profile"
2403	set hist [lindex $histlist 0]
2404	set phase [lindex $phaselist 0]
2405	set ptype [string trim [hapinfo $hist $phase proftype]]
2406	set htype [string range $expmap(htype_$hist) 2 2]
2407	set nterms [hapinfo $hist $phase profterms]
2408
2409	pack [frame $w.0 -bd 6 -relief groove -bg beige \
2410	] -side top -expand yes -fill both
2411	grid [label $w.0.a \
2412	-text "Setting profile terms: $title" \
2413	-bg beige] -row 0 -column 0 -columnspan 10
2414	grid [label $w.0.b -text "Function type $ptype" -bg beige] -row 1 -column 0
2415	grid [label $w.0.c -text " Peak cutoff" -bg beige] -row 1 -column 3
2416	grid [entry $w.0.d -width 10 ] -row 1 -column 4
2417	set entrylist {}
2418	lappend entrylist "pcut $w.0.d"
2419
2420	set col -1
2421	set row 1
2422	set lbls "dummy [GetProfileTerms $phase $hist $ptype]"
2423	pack [frame $w.1 -bd 6 -relief groove -bg beige \
2424	] -side top -expand yes -fill both
2425	for { set num 1 } { $num <= $nterms } { incr num } {
2426	set term {}
2427	catch {set term [lindex $lbls $num]}
2428	if {$term == ""} {set term $num}
2429	incr col
2430	grid [label $w.1.l${num} -text "$term" -bg beige] \
2431	-row $row -column $col
2432	incr col
2433	grid [entry $w.1.ent${num} \
2434	-width 14] -row $row -column $col
2435	lappend entrylist "pterm$num $w.1.ent${num}"
2436	if {$col > 6} {set col -1; incr row}
2437	}
2438	pack [frame $w.b] -side top
2439	pack [button $w.b.2 -text Set \
2440	-command "SetEditProfile [list $entrylist] [list $phaselist] \
2441	[list $histlist] $w"] -side left
2442	pack [button $w.b.3 -text Quit \
2443	-command "QuitEditProfile $w [list $entrylist]"] -side left
2444	bind $w <Return> "destroy $w"
2445
2446	# force the window to stay on top
2447	putontop $w
2448	focus $w.b.2
2449	tkwait window $w
2450	afterputontop
2451	}
2452
2453	proc SetEditProfile {entrylist phaselist histlist w} {
2454	global expgui
2455	foreach item $entrylist {
2456	set value [ [lindex $item 1] get ]
2457	if {$value != ""} {
2458	hapinfo $histlist $phaselist [lindex $item 0] set $value
2459	incr expgui(changed)
2460	if $expgui(debug) {
2461	puts "hapinfo [list $phaselist] [list $histlist] [lindex $item 0] set $value"
2462	}
2463	}
2464	}
2465	destroy $w
2466	}
2467
2468	proc QuitEditProfile {w entrylist} {
2469	global expgui
2470	# lets find out if anything changed
2471	set changed 0
2472	foreach item $entrylist {
2473	if {[ [lindex $item 1] get ] != ""} {set changed 1; break}
2474	}
2475	if $changed {
2476	set decision [tk_dialog .changes "Abandon Changes" \
2477	"You have made changes to the Profile. Ok to abandon changes?" \
2478	warning 0 Abandon Keep]
2479	if !$decision {destroy $w}
2480	} else {
2481	destroy $w
2482	}
2483	}
2484
2485	##############################################################################
2486	## #############################################
2487	## END OF THE PROCEDURES SECTION #############################################
2488	## #############################################
2489	##############################################################################
2490
2491	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
2492	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< <<<<<<<<<<<<<<<<<<<
2493	# <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< BEGIN: GUI SECTION >>>>>>>>>>>>>>>>>>>
2494	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>> >>>>>>>>>>>>>>>>>>>
2495	# >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
2496	# A frame for menu items at top of display
2497	set expgui(fm) [frame .fm -relief raised -borderwidth 2 -width 150 -height 40]
2498	# Pack the menu frame.
2499	pack $expgui(fm) -fill x -side top -anchor n
2500
2501	# create a button bar
2502	pack [frame .bar -relief raised -bd 2 -bg beige] -fill x -side top -anchor n
2503
2504	# Creating the notebook with 5 panes: Phase, Histogram, Scaling, Profile
2505	# & LS controls
2506	# 0 name,
2507	# 1 title
2508	# 2 create command
2509	# 3 raise command
2510	# 4 disable page in global mode (0/1)
2511
2512	if $expgui(haveBW) {
2513	pack [NoteBook .n -bd 2] -expand yes -fill both
2514	# create an array element describing each notebook page
2515	# element 0 -- pane name
2516	# 1 -- Label on frame
2517	# 2 -- initialization command
2518	# 3 -- update command
2519	# 4 -- 0/1 Use 1 if pane should be disabled in when all histograms
2520	# are selected in global mode, 0 otherwise
2521	set expgui(notebookpagelist) {
2522	{lsFrame "LS Controls" \
2523	"" \
2524	SetupExtractHist \
2525	0}
2526	{phaseFrame Phase \
2527	"" \
2528	"SelectOnePhase \$expgui(curPhase); DisplayAllAtoms noreset" \
2529	0}
2530	{histFrame Histogram \
2531	MakeHistPane \
2532	DisplayHistogram \
2533	1}
2534	{fracFrame Scaling \
2535	MakeScalingPane \
2536	DisplayFrac \
2537	0}
2538	{profFrame Profile \
2539	MakeProfilePane \
2540	DisplayProfile \
2541	1}
2542	{consFrame Constraints \
2543	"source [file join $expgui(scriptdir) atomcons.tcl]; MakeConstraintsPane" \
2544	DisplayConstraintsPane \
2545	0}
2546	{orientFrame "MD Pref Orient" \
2547	MakeOrientPane \
2548	DisplayOrient \
2549	0}
2550	{odfFrame "SH Pref Orient" \
2551	"source [file join $expgui(scriptdir) odf.tcl]; MakeODFPane" \
2552	DisplayODFPane \
2553	0}
2554	}
2555	foreach item $expgui(notebookpagelist) {
2556	set frm [lindex $item 0]
2557	set expgui($frm) [\
2558	.n insert end $frm -text [lindex $item 1] \
2559	-createcmd [lindex $item 2] \
2560	-raisecmd "set expgui(pagenow) $frm; [lindex $item 3]"]
2561
2562	# at this time expgui(frameactionlist) is generated
2563	# from expgui(notebookpagelist), but in the future it might
2564	# make sense to use expgui(notebookpagelist) directly
2565	lappend expgui(frameactionlist) "$frm [list [lindex $item 3]]"
2566
2567	# panes to disable in global "all" mode
2568	if {[lindex $item 4]} {
2569	lappend expgui(GlobalModeAllDisable) \
2570	"$frm \{.n itemconfigure $frm\}"
2571	}
2572	}
2573	} else {
2574	Notebook:create .n \
2575	-pages {lsFrame phaseFrame histFrame fracFrame profFrame}
2576	pack .n -anchor w -fill both -expand yes
2577	foreach item {lsFrame phaseFrame histFrame fracFrame profFrame \
2578	orientFrame} \
2579	page {"LS Controls" Phase Histogram Scaling Profile \
2580	"MD Pref Orient"} {
2581	set expgui($item) [Notebook:frame .n $item]
2582	Notebook:pageconfig .n $item -command "InitPage $item" -title $page
2583	}
2584	lappend expgui(frameactionlist) "lsFrame SetupExtractHist"
2585	lappend expgui(frameactionlist) "phaseFrame {DisplayAllAtoms noreset}"
2586	lappend expgui(frameactionlist) "histFrame DisplayHistogram"
2587	lappend expgui(frameactionlist) "fracFrame DisplayFrac"
2588	lappend expgui(frameactionlist) "profFrame DisplayProfile"
2589	lappend expgui(frameactionlist) "orientFrame DisplayOrient"
2590	set expgui(GlobalModeAllDisable) {}
2591	lappend expgui(GlobalModeAllDisable) "histFrame {Notebook:pageconfig .n histFrame}"
2592	lappend expgui(GlobalModeAllDisable) "profFrame {Notebook:pageconfig .n profFrame}"
2593	}
2594
2595	# this is used to bring up the selected frame
2596	proc RaisePage {nextpage} {
2597	global expgui
2598	if $expgui(haveBW) {
2599	.n see $nextpage
2600	.n raise $nextpage
2601	set expgui(pagenow) $nextpage
2602	} else {
2603	Notebook:raise .n $nextpage
2604	InitPage $nextpage
2605	}
2606	}
2607	# this is only called when BWidget is not in use
2608	proc InitPage {nextpage} {
2609	global expgui
2610	set expgui(pagenow) $nextpage
2611	UpdateCurrentPage
2612	}
2613	# resize the notebook to fit all the tabs and the largest page
2614	proc ResizeNotebook {} {
2615	global expgui
2616	if {$expgui(haveBW)} {
2617	.n compute_size
2618	} else {
2619	Notebook:resize .n
2620	}
2621	}
2622
2623	#----------------------------------------------------------------------------
2624	proc MakePhasePane {} {
2625	#\/ \/ \/ \/ \/ \/ \/ BEGINNING OF PHASE PANE CODE \/ \/ \/ \/ \/ \/ \/
2626	global expgui
2627	frame $expgui(phaseFrame).top
2628	set frameLatt [frame $expgui(phaseFrame).frameLatt]
2629	# This is a big frame in the Phase notebook pane to hold atomic data.
2630	set fbig [frame $expgui(phaseFrame).fbig -width 180 \
2631	-relief raised -borderwidth 4 -bg beige]
2632	# This is a frame just below the big frame: for edits
2633	set frame3 [frame $expgui(phaseFrame).frame3 -width 100 \
2634	-relief raised -borderwidth 4 -bg beige]
2635
2636	grid $expgui(phaseFrame).top -sticky news -row 0 -column 0
2637	grid $frameLatt -sticky news -row 2 -column 0
2638	grid $fbig -sticky news -row 3 -column 0
2639	# give extra space to the atoms box
2640	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2641	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2642	grid $frame3 -sticky news -row 4 -column 0
2643	grid columnconfigure $expgui(phaseFrame) 0 -weight 1
2644	grid rowconfigure $expgui(phaseFrame) 3 -weight 1
2645	grid [frame $expgui(phaseFrame).top.ps] -column 0 -row 0 -sticky w
2646	# this is where the buttons will go
2647	pack [label $expgui(phaseFrame).top.ps.0 -text "No Phases"] -side left
2648
2649	grid [label $expgui(phaseFrame).top.lA -text title: \
2650	-fg blue ] -column 1 -row 0 -sticky e
2651	grid [entry $expgui(phaseFrame).top.lB -textvariable entryvar(phasename) \
2652	-fg blue -width 45] -column 2 -row 0 -sticky e
2653	grid columnconfigure $expgui(phaseFrame).top 1 -weight 1
2654	# ------------- Lattice Parameter Box ------------------
2655	set row 0
2656	foreach col {2 4 6} var {a b c} lbl {a b c} {
2657	grid [label $frameLatt.l$var -text $lbl] \
2658	-column $col -row $row -padx 5 -sticky e
2659	incr col
2660	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2661	-column $col -row $row -padx 5
2662	}
2663	incr row
2664	foreach col {2 4 6} var {alpha beta gamma} lbl {a b g} {
2665	grid [label $frameLatt.l$var -text $lbl -font symbol] \
2666	-column $col -row $row -padx 5 -sticky e
2667	incr col
2668	grid [entry $frameLatt.e$var -textvariable entryvar($var) -width 10] \
2669	-column $col -row $row -padx 5
2670	}
2671
2672	grid [label $frameLatt.lr -text "Refine Cell"] -column 8 -row 0 -padx 5 -sticky e
2673	grid [label $frameLatt.ld -text "Cell damping"] -column 8 -row 1 -padx 5 -sticky e
2674	set cFlag [checkbutton $frameLatt.c -text "" -variable entryvar(cellref)]
2675	grid $cFlag -column 9 -row 0 -padx 5 -sticky e
2676	tk_optionMenu $frameLatt.om entryvar(celldamp) 0 1 2 3 4 5 6 7 8 9
2677	grid $frameLatt.om -column 9 -row 1 -padx 5 -sticky e
2678	grid [label $frameLatt.phasetype -textvariable expgui(phasetype) -fg blue] \
2679	-column 1 -row 0 -rowspan 2
2680	if [file executable $expgui(exptool)] {
2681	grid [button $frameLatt.newp -text Replace\nPhase \
2682	-command MakeReplacePhaseBox] \
2683	-column 0 -row 0 -rowspan 2 -sticky w
2684	}
2685	grid columnconfig $frameLatt 1 -weight 1
2686	grid columnconfig $frameLatt 0 -weight 1
2687	#-------------- Begin Atom Coordinates Box ------------------------------
2688	grid [listbox $fbig.title -height 1 -relief flat \
2689	-exportselection 0 -bg lightgrey -fg black \
2690	-selectforeground black -selectbackground lightgrey] \
2691	-row 0 -column 0 -sticky ew
2692	set expgui(atomtitle) $fbig.title
2693	bind $expgui(atomtitle) <Button-1> {
2694	set i [lsearch {number type mult x y z occupancy} $expgui(asorttype)]
2695	incr i
2696	set expgui(asorttype) [lindex {number type mult x y z occupancy number} $i]
2697	DisplayAllAtoms
2698	}
2699	bind $expgui(atomtitle) <Button-3> {set expgui(asorttype) number; DisplayAllAtoms}
2700
2701	$expgui(atomtitle) configure -font $expgui(coordfont) -selectmode extended
2702	grid [listbox $fbig.lbox -height 10 \
2703	-exportselection 0 \
2704	-xscrollcommand " $fbig.bscr set"\
2705	-yscrollcommand " $fbig.rscr set"\
2706	] -row 1 -column 0 -sticky news
2707	set expgui(atomlistbox) $fbig.lbox
2708	$expgui(atomlistbox) configure -font $expgui(coordfont) -selectmode extended
2709	grid [scrollbar $fbig.bscr -orient horizontal \
2710	-command "move2boxes \" $fbig.title $fbig.lbox \" " \
2711	] -row 2 -column 0 -sticky ew
2712	grid [scrollbar $fbig.rscr -command "$fbig.lbox yview" \
2713	] -row 1 -column 1 -sticky ns
2714	# give extra space to the atoms box
2715	grid columnconfigure $fbig 0 -weight 1
2716	grid rowconfigure $fbig 1 -weight 1
2717
2718	# BIND mouse in editbox
2719	bind $expgui(atomlistbox) <ButtonRelease-1> editRecord
2720	bind $expgui(atomlistbox) <Button-3> SelectAllAtoms
2721
2722	#-------------- End Atoms Section ---------------------------------
2723
2724	# --------------------------- Begin Edit Box ------------------------
2725	grid [set expgui(EditingAtoms) [label $frame3.top -bg beige -fg blue]] \
2726	-column 0 -row 0 -padx 2 -pady 3 -columnspan 10 -sticky w
2727	if [file executable $expgui(exptool)] {
2728	button $frame3.newa -text "Add New Atoms" \
2729	-command {MakeAddAtomsBox $expgui(curPhase)}
2730	grid $frame3.newa -column 11 -row 0
2731	}
2732	button [set expgui(atomxform) $frame3.xa] \
2733	-command {MakeXformAtomsBox $expgui(curPhase)}
2734	grid $expgui(atomxform) -column 11 -row 1 -sticky ew
2735
2736	set f3l1 [label $frame3.l1 -text "Refinement Flags " -bg beige]
2737	grid $f3l1 -column 0 -row 1 -padx 2 -sticky nsw -pady 3
2738
2739	set f3cFlag1 [checkbutton $frame3.cf1 -text "X" -variable entryvar(xref) -bg beige]
2740	set f3cFlag2 [checkbutton $frame3.cf2 -text "U" -variable entryvar(uref) -bg beige]
2741	set f3cFlag3 [checkbutton $frame3.cf3 -text "F" -variable entryvar(fref) -bg beige]
2742	grid $f3cFlag1 -column 1 -row 1 -padx 2 -pady 3 -sticky w
2743	grid $f3cFlag2 -column 2 -row 1 -padx 2 -pady 3 -sticky w
2744	grid $f3cFlag3 -column 3 -row 1 -padx 2 -pady 3 -sticky w
2745
2746	set f3l4 [label $frame3.l4 -text "Damping Factors " -bg beige]
2747	grid $f3l4 -column 4 -row 1 -padx 2 -sticky nsw -pady 3
2748
2749	tk_optionMenu $frame3.om2 entryvar(xdamp) 0 1 2 3 4 5 6 7 8 9
2750	tk_optionMenu $frame3.om3 entryvar(udamp) 0 1 2 3 4 5 6 7 8 9
2751	tk_optionMenu $frame3.om4 entryvar(fdamp) 0 1 2 3 4 5 6 7 8 9
2752	grid [label $frame3.lom2 -text X -bg beige] -column 5 -row 1 -padx 2 -pady 3 -sticky w
2753	grid $frame3.om2 -column 6 -row 1 -padx 2 -pady 3 -sticky w
2754	grid [label $frame3.lom3 -text U -bg beige] -column 7 -row 1 -padx 2 -pady 3 -sticky w
2755	grid $frame3.om3 -column 8 -row 1 -padx 2 -pady 3 -sticky w
2756	grid [label $frame3.lom4 -text F -bg beige] -column 9 -row 1 -padx 2 -pady 3 -sticky w
2757	grid $frame3.om4 -column 10 -row 1 -padx 2 -pady 3 -sticky w
2758
2759	set expgui(atomreflbl) "$frame3.l1 $frame3.l4 $frame3.lom2 $frame3.lom3 $frame3.lom4 "
2760	set expgui(atomref) "$frame3.cf1 $frame3.cf2 $frame3.cf3 $frame3.om2 $frame3.om3 $frame3.om4"
2761
2762	set coords [frame $frame3.coords -width 100 -borderwidth 0 -bg beige]
2763	grid $coords -column 0 -row 6 -columnspan 12 -sticky nsew
2764
2765	set f3l1 [label $frame3.coords.l1 -text "Label" -bg beige]
2766	set f3e1 [entry $frame3.coords.e1 -textvariable entryvar(label) -width 6]
2767	set f3l8 [label $frame3.coords.l8 -text "Coordinates" -bg beige]
2768	set f3e8 [entry $frame3.coords.e8 -textvariable entryvar(x) -width 10]
2769	set f3e9 [entry $frame3.coords.e9 -textvariable entryvar(y) -width 10]
2770	set f3e10 [entry $frame3.coords.e10 -textvariable entryvar(z) -width 10]
2771	set f3l11 [label $frame3.coords.l11 -text "Occupancy" -bg beige]
2772	set f3e11 [entry $frame3.coords.e11 -textvariable entryvar(frac) -width 10]
2773	set expgui(atomlabels) "$frame3.coords.l1 $frame3.coords.l8 $frame3.coords.l11"
2774	set expgui(atomentry) "$frame3.coords.e1 $frame3.coords.e8 $frame3.coords.e9 $frame3.coords.e10 $frame3.coords.e11"
2775
2776	grid $f3l1 -column 0 -row 4 -padx 2 -sticky nsw -pady 3
2777	grid $f3e1 -column 1 -row 4 -padx 2 -sticky nsw -pady 3
2778	grid $f3l8 -column 2 -row 4 -padx 2 -sticky nsw -pady 3
2779	grid $f3e8 -column 3 -row 4 -padx 2 -sticky nsw -pady 3
2780	grid $f3e9 -column 4 -row 4 -padx 2 -sticky nsw -pady 3
2781	grid $f3e10 -column 5 -row 4 -padx 2 -sticky nsw -pady 3
2782	grid $f3l11 -column 6 -row 4 -padx 2 -sticky nsw -pady 3
2783	grid $f3e11 -column 7 -row 4 -padx 2 -sticky nsw -pady 3
2784
2785	set f3f31 [frame $frame3.f3f31 -width 100 -borderwidth 0 -bg beige]
2786	grid $f3f31 -column 0 -row 7 -columnspan 12
2787	set expgui(anisolabels) {}
2788	lappend expgui(anisolabels) [label $f3f31.l13 -text "Uiso" -bg beige]
2789	lappend expgui(anisolabels) [label $f3f31.l14 -text "U22" -bg beige]
2790	lappend expgui(anisolabels) [label $f3f31.l15 -text "U33" -bg beige]
2791	lappend expgui(anisolabels) [label $f3f31.l16 -text "U12" -bg beige]
2792	lappend expgui(anisolabels) [label $f3f31.l17 -text "U13" -bg beige]
2793	lappend expgui(anisolabels) [label $f3f31.l18 -text "U23" -bg beige]
2794
2795	set expgui(anisoentry) {}
2796	lappend expgui(anisoentry) [entry $f3f31.e13 -textvariable entryvar(U11) -width 10]
2797	lappend expgui(anisoentry) [entry $f3f31.e14 -textvariable entryvar(U22) -width 10]
2798	lappend expgui(anisoentry) [entry $f3f31.e15 -textvariable entryvar(U33) -width 10]
2799	lappend expgui(anisoentry) [entry $f3f31.e16 -textvariable entryvar(U12) -width 10]
2800	lappend expgui(anisoentry) [entry $f3f31.e17 -textvariable entryvar(U13) -width 10]
2801	lappend expgui(anisoentry) [entry $f3f31.e18 -textvariable entryvar(U23) -width 10]
2802
2803	set col 0
2804	foreach item1 $expgui(anisolabels) item2 $expgui(anisoentry) {
2805	grid $item1 -column $col -row 0 -sticky nsw -pady 3
2806	incr col
2807	grid $item2 -column $col -row 0 -sticky nsw -pady 3
2808	incr col
2809	}
2810	# --------------------------- End Edit Box -------------------------
2811
2812	#/\ /\ /\ /\ /\ /\ /\ END OF PHASE PANE CODE /\ /\ /\ /\ /\ /\ /\ /\ /
2813	# resize in case the pane needs more space
2814	ResizeNotebook
2815	}
2816
2817	proc move2boxes {boxlist args} {
2818	foreach listbox $boxlist {
2819	eval $listbox xview $args
2820	}
2821	}
2822	#-----------------------------------------------------------------------------
2823	proc MakeHistPane {} {
2824	#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
2825	global expgui
2826
2827	grid columnconfigure $expgui(histFrame) 0 -weight 1
2828	grid rowconfigure $expgui(histFrame) 1 -weight 1
2829	grid rowconfigure $expgui(histFrame) 2 -weight 1
2830	grid rowconfigure $expgui(histFrame) 3 -weight 1
2831
2832	grid [frame $expgui(histFrame).hs] \
2833	-column 0 -row 0 -rowspan 10 -sticky nsew
2834	MakeHistBox $expgui(histFrame).hs
2835	bind $expgui(histFrame).hs.lbox <ButtonRelease-1> {
2836	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2837	DisplayHistogram
2838	}
2839	bind $expgui(histFrame).hs.lbox <Button-3> {
2840	if $expgui(globalmode) {
2841	$expgui(histFrame).hs.lbox selection set 0 end
2842	set expgui(curhist) [$expgui(histFrame).hs.lbox curselection]
2843	DisplayHistogram
2844	}
2845	}
2846
2847	frame $expgui(histFrame).top -borderwidth 4 -relief groove
2848	grid [label $expgui(histFrame).top.txt] -row 0 -column 0
2849	if $expgui(haveBW) {
2850	foreach item {backBox diffBox} num {2 3} \
2851	title {Background "Diffractometer Constants"} {
2852	TitleFrame $expgui(histFrame).$item \
2853	-borderwidth 4 -side left -relief groove -text $title
2854	set expgui($item) [$expgui(histFrame).$item getframe]
2855	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2856	grid rowconfigure $expgui(histFrame) $num -minsize 100
2857	}
2858	} else {
2859	foreach item {backBox diffBox} num {1 2} \
2860	title {Background "Diffractometer Constants"} {
2861	frame $expgui(histFrame).$item -borderwidth 4 -relief groove
2862	grid $expgui(histFrame).$item -column 1 -row $num -sticky nsew
2863	set expgui($item) $expgui(histFrame).$item
2864	grid [label $expgui(histFrame).$item.title -text $title] \
2865	-row 0 -column 0 -columnspan 10 -sticky nw
2866	}
2867	}
2868	if [file executable $expgui(exptool)] {
2869	button $expgui(histFrame).newh -text "Add New Histogram" -command MakeAddHistBox
2870	grid $expgui(histFrame).newh -column 1 -row 6
2871	}
2872
2873	# BACKGROUND information.
2874	# <<<<<<<<<<<<<<<<<<<<<<<<< BACKGROUND <<<<<<<<<<<<<<<<<<<<<
2875	grid [frame $expgui(backBox).frm1 ] -row 0 -column 0 -columnspan 11
2876	grid [label $expgui(backBox).frm1.lBGType \
2877	-textvariable expgui(backtypelbl)] \
2878	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2879	grid [label $expgui(backBox).frm1.lBGTerms \
2880	-textvariable expgui(backtermlbl)] \
2881	-row 1 -column 1 -sticky nws -padx 2 -pady 3
2882	grid [button $expgui(backBox).frm1.edit -textvariable expgui(bkglbl) \
2883	-command editbackground] \
2884	-row 1 -column 2 -columnspan 3 -sticky w -padx 2 -pady 3
2885	grid [frame $expgui(backBox).frm2 ] \
2886	-row 1 -column 0 -columnspan 11 -sticky e
2887	grid [label $expgui(backBox).frm2.lfBG -text " Refine background" ] \
2888	-row 2 -column 1 -sticky news -padx 4 -pady 3
2889	grid [checkbutton $expgui(backBox).frm2.rfBG -text "" \
2890	-variable entryvar(bref) ] \
2891	-row 2 -column 2 -sticky news -padx 4 -pady 3
2892	grid [label $expgui(backBox).frm2.lBGDamp -text Damping ] \
2893	-row 2 -column 3 -sticky w -padx 2 -pady 3
2894	tk_optionMenu $expgui(backBox).frm2.om entryvar(bdamp) 0 1 2 3 4 5 6 7 8 9
2895	grid $expgui(backBox).frm2.om \
2896	-row 2 -column 4 -sticky news -padx 4 -pady 3 -sticky e
2897	#^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^END OF HISTOGRAM PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2898	# insert the histograms & resize in case the pane needs more space
2899	sethistlist
2900	ResizeNotebook
2901	}
2902	###############################################################################
2903	proc MakeScalingPane {} {
2904	#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
2905	global expgui
2906
2907	pack [frame $expgui(fracFrame).hs] -side left -expand y -fill both
2908	MakeHistBox $expgui(fracFrame).hs
2909	bind $expgui(fracFrame).hs.lbox <ButtonRelease-1> {
2910	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2911	DisplayFrac
2912	}
2913	bind $expgui(fracFrame).hs.lbox <Button-3> {
2914	if $expgui(globalmode) {
2915	$expgui(fracFrame).hs.lbox selection set 0 end
2916	set expgui(curhist) [$expgui(fracFrame).hs.lbox curselection]
2917	DisplayFrac
2918	}
2919	}
2920
2921	pack [frame $expgui(fracFrame).f1] -fill both -expand true
2922	# Create a large canvas area containing a frame for each phase in the data set.
2923	# The canvas and vertical scrollbar are inside a frame called f1
2924	if $expgui(haveBW) {
2925	TitleFrame $expgui(fracFrame).f1.scaleBox \
2926	-borderwidth 4 -text "Scale Factor"
2927	# -borderwidth 4 -width 600 -height 100 -label "Scale Factor"
2928	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2929	set expgui(scaleBox) [$expgui(fracFrame).f1.scaleBox getframe]
2930	grid [label $expgui(scaleBox).histSFLabel -text Scale] \
2931	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2932	} else {
2933	frame $expgui(fracFrame).f1.scaleBox -borderwidth 4 -relief groove
2934	grid $expgui(fracFrame).f1.scaleBox -column 0 -row 0 -sticky nsew -columnspan 2
2935	set expgui(scaleBox) $expgui(fracFrame).f1.scaleBox
2936	grid [label $expgui(scaleBox).histSFLabel -text "Scale Factor"] \
2937	-row 1 -column 0 -sticky nws -padx 2 -pady 3
2938	}
2939	grid [entry $expgui(scaleBox).ent1 -textvariable entryvar(scale) -width 15] \
2940	-row 1 -column 1 -sticky ew -padx 4 -pady 3
2941	button $expgui(scaleBox).but1 -text "Set Globally" \
2942	-command "editglobalparm histinfo scale {Scale Factor}"
2943
2944	grid [label $expgui(scaleBox).histSFRLabel -text " Refine"] \
2945	-row 1 -column 2 -sticky nws -padx 2 -pady 3
2946	grid [checkbutton $expgui(scaleBox).rf -variable entryvar(sref)] \
2947	-row 1 -column 3 -sticky news -padx 4 -pady 3
2948	grid [label $expgui(scaleBox).lD1 -text "Damping"] \
2949	-row 1 -column 4 -sticky w -padx 2 -pady 3
2950	tk_optionMenu $expgui(scaleBox).om entryvar(sdamp) 0 1 2 3 4 5 6 7 8 9
2951	grid $expgui(scaleBox).om \
2952	-row 1 -column 5 -sticky news -padx 4 -pady 3
2953	grid columnconfigure $expgui(scaleBox) 6 -weight 1
2954
2955	if $expgui(haveBW) {
2956	grid [TitleFrame $expgui(fracFrame).f1.phaseFrac -bd 4 \
2957	-text "Phase Fractions" -relief groove] \
2958	-sticky news -row 1 -column 0 -columnspan 2
2959	set PhaseFractBox [$expgui(fracFrame).f1.phaseFrac getframe]
2960	} else {
2961	set PhaseFractBox $expgui(fracFrame).f1
2962	}
2963	grid columnconfigure $expgui(fracFrame).f1 0 -weight 1
2964	grid rowconfigure $expgui(fracFrame).f1 1 -weight 1
2965
2966	grid [set expgui(FracBox) [canvas $PhaseFractBox.fracBox \
2967	-scrollregion {0 0 5000 500} \
2968	-yscrollcommand "$PhaseFractBox.yscroll set" \
2969	-width 500 -height 350 -bg lightgrey]] \
2970	-sticky news -row 1 -column 0
2971	grid [scrollbar $PhaseFractBox.yscroll \
2972	-command "$expgui(FracBox) yview" \
2973	-orient vertical] \
2974	-sticky ns -row 1 -column 1
2975	frame $expgui(FracBox).f -bd 0
2976	$expgui(FracBox) create window 0 0 -anchor nw -window $expgui(FracBox).f
2977
2978	# the rest of the page is created in DisplayFrac
2979
2980	# insert the histograms & resize in case the pane needs more space
2981	sethistlist
2982	ResizeNotebook
2983	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF SCALING PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
2984	}
2985	###############################################################################
2986	proc MakeProfilePane {} {
2987	global expgui
2988	# 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
2989	pack [frame $expgui(profFrame).hs] -side left -expand y -fill both
2990	MakeHistBox $expgui(profFrame).hs
2991	bind $expgui(profFrame).hs.lbox <ButtonRelease-1> {
2992	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2993	DisplayProfile
2994	}
2995	bind $expgui(profFrame).hs.lbox <Button-3> {
2996	if $expgui(globalmode) {
2997	$expgui(profFrame).hs.lbox selection set 0 end
2998	set expgui(curhist) [$expgui(profFrame).hs.lbox curselection]
2999	DisplayProfile
3000	}
3001	}
3002
3003	# Create a large canvas area containing a frame for each phase in the data set.
3004	# The canvas and vertical scrollbar are inside a frame called f1
3005	pack [frame $expgui(profFrame).f1] -fill both -expand true
3006	grid [set expgui(ProfileBox) [canvas $expgui(profFrame).f1.profileBox \
3007	-scrollregion {0 0 5000 500} -width 500 -height 350 -bg lightgrey]] \
3008	-sticky news -row 0 -column 0
3009	grid [scrollbar $expgui(profFrame).f1.yscroll -orient vertical] \
3010	-sticky ns -row 0 -column 1
3011
3012	$expgui(ProfileBox) config -yscrollcommand "$expgui(profFrame).f1.yscroll set"
3013	$expgui(profFrame).f1.yscroll config -command { $expgui(ProfileBox) yview }
3014
3015	grid columnconfigure $expgui(profFrame).f1 1 -weight 1
3016	grid rowconfigure $expgui(profFrame).f1 0 -weight 1
3017	frame $expgui(ProfileBox).f -bd 0
3018	$expgui(ProfileBox) create window 0 0 -anchor nw -window $expgui(ProfileBox).f
3019
3020	# insert the histograms & resize in case the pane needs more space
3021	sethistlist
3022	ResizeNotebook
3023	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF PROFILE PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3024	}
3025
3026	##############################################################################
3027	# 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
3028	array set printopts {
3029	0 "Print the reciprocal metric tensor changes"
3030	1 "Print the correlation matrix"
3031	2 "Print the Least-Squares matrices and vectors"
3032	4 "Print the linear constraint matrices"
3033	5 "Print the applied shifts and shift factors"
3034	6 "Print the reciprocal metric tensor Var-Covar terms"
3035	7 "Print all parameters for each cycle"
3036	8 "Print summary shift/esd data after last cycle"
3037	9 "Print zero/unit pole figure constraint terms"
3038	}
3039	pack [frame $expgui(lsFrame).hs] -side left -expand y -fill both
3040	MakeHistBox $expgui(lsFrame).hs
3041	bind $expgui(lsFrame).hs.lbox <ButtonRelease-1> {
3042	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3043	SetupExtractHist
3044	}
3045	bind $expgui(lsFrame).hs.lbox <Button-3> {
3046	if $expgui(globalmode) {
3047	$expgui(lsFrame).hs.lbox selection set 0 end
3048	set expgui(curhist) [$expgui(lsFrame).hs.lbox curselection]
3049	SetupExtractHist
3050	}
3051	}
3052
3053	pack [frame $expgui(lsFrame).f1] -fill both -expand true
3054	grid rowconfigure $expgui(lsFrame).f1 4 -weight 1
3055	set row 0
3056	grid [label $expgui(lsFrame).f1.his1 -pady 6 -text "Last History:"] -row $row -column 0
3057	grid [label $expgui(lsFrame).f1.his2 -relief raised -bd 2 -pady 6 \
3058	-textvariable expgui(last_History)] \
3059	-row $row -column 1 -columnspan 5 -sticky w
3060	incr row
3061	grid [label $expgui(lsFrame).f1.tit1 -pady 6 -text "Title:"] -row $row -column 0
3062	grid [entry $expgui(lsFrame).f1.tit2 \
3063	-textvariable entryvar(title) -width 48] \
3064	-row $row -column 1 -columnspan 5 -sticky w
3065	set entrycmd(title) "expinfo title"
3066
3067	incr row
3068	grid [frame $expgui(lsFrame).f1.b -bd 4 -relief groove] \
3069	-row $row -column 0 -columnspan 2 -pady 3
3070	grid [label $expgui(lsFrame).f1.b.lcyc -text "Number of Cycles"] -row 0 -column 0
3071	grid [entry $expgui(lsFrame).f1.b.ecyc -width 3 \
3072	-textvariable entryvar(cycles)] -row 0 -column 1
3073	grid [menubutton $expgui(lsFrame).f1.lprint -textvariable expgui(printopt) \
3074	-menu $expgui(lsFrame).f1.lprint.menu -bd 4 -relief raised \
3075	] -row $row -column 2
3076	menu $expgui(lsFrame).f1.lprint.menu
3077	foreach num [lsort [array names printopts]] {
3078	$expgui(lsFrame).f1.lprint.menu add checkbutton \
3079	-label "$printopts($num) ([expr int(pow(2,$num))])"\
3080	-variable entryvar(printopt$num)
3081	}
3082	#grid [frame $expgui(lsFrame).f1.c -bd 4 -relief groove] -row $row -column 3
3083	#grid [label $expgui(lsFrame).f1.c.fol -text "Extract Fobs"] -row 0 -column 2
3084	#grid [checkbutton $expgui(lsFrame).f1.c.foc -variable entryvar(fobsextract)] -row 0 -column 3
3085	incr row
3086	if {$expgui(haveBW)} {
3087	grid [TitleFrame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3088	-text "Reflection Intensity Extraction" \
3089	] -row $row -column 0 -columnspan 6
3090	set expgui(FobsExtractFrame) [$expgui(lsFrame).f1.a getframe]
3091	} else {
3092	grid [frame $expgui(lsFrame).f1.a -bd 4 -relief groove \
3093	] -row $row -column 0 -columnspan 6
3094	set expgui(FobsExtractFrame) $expgui(lsFrame).f1.a
3095	}
3096	grid rowconfigure $expgui(lsFrame).f1 $row -pad 16
3097	grid [frame $expgui(FobsExtractFrame).c -bd 4 -relief groove] \
3098	-row 0 -column 8 -columnspan 3 -sticky e
3099	grid [label $expgui(FobsExtractFrame).c.fol -text "Extract Fobs"] \
3100	-row 0 -column 2
3101	grid [checkbutton $expgui(FobsExtractFrame).c.foc \
3102	-variable entryvar(fobsextract)] -row 0 -column 3
3103	foreach num {1 2 3 4 5 6 7 8 9} {
3104	grid [label $expgui(FobsExtractFrame).l$num -text $num] -row 1 -column $num
3105	grid [radiobutton $expgui(FobsExtractFrame).cc$num \
3106	-command "HistExtractSet $num" \
3107	-variable expgui(Fextract$num) -value 0] \
3108	-row 2 -column $num
3109	grid [radiobutton $expgui(FobsExtractFrame).ca$num \
3110	-command "HistExtractSet $num" \
3111	-variable expgui(Fextract$num) -value 1] \
3112	-row 3 -column $num
3113	grid [radiobutton $expgui(FobsExtractFrame).cb$num \
3114	-command "HistExtractSet $num" \
3115	-variable expgui(Fextract$num) -value 2] \
3116	-row 4 -column $num
3117	}
3118	set expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cc
3119	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).ca
3120	lappend expgui(ExtractSettingsRadiobuttons) $expgui(FobsExtractFrame).cb
3121
3122	grid [label $expgui(FobsExtractFrame).t \
3123	-text "Extraction\nMethod" -anchor c] \
3124	-column 0 -row 0 -rowspan 2 -sticky s
3125	grid [label $expgui(FobsExtractFrame).t0 -text "Phase #" -anchor sw] \
3126	-column 1 -row 0 -columnspan 7 -sticky sw
3127	grid [label $expgui(FobsExtractFrame).t1 -text "Rietveld" -anchor c] -column 0 -row 2
3128	grid [label $expgui(FobsExtractFrame).t2 -text "F(calc) Weighted" -anchor c] -column 0 -row 3
3129	grid [label $expgui(FobsExtractFrame).t3 -text "Equally Weighted" -anchor c] -column 0 -row 4
3130	grid [label $expgui(FobsExtractFrame).t2a -text "(Model biased)" -anchor c] -column 10 -row 3
3131	grid [label $expgui(FobsExtractFrame).t3a -text "(Le Bail method)" -anchor c] -column 10 -row 4
3132	# ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ END OF LS PANE CODE ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^ ^
3133	#-------------------------------------------------------------------------
3134	#-------------------------------------------------------------------------
3135	#vvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvvv THE MENU BAR vvvvvvvvvvvvvvvvvvvvvv
3136
3137	#---- file menu button
3138	menubutton $expgui(fm).file -text File -menu $expgui(fm).file.menu
3139	menu $expgui(fm).file.menu
3140	if $expgui(debug) {
3141	$expgui(fm).file.menu add command -label "Reset" -command "reset"
3142	}
3143	if {$tcl_platform(platform) != "macintosh"} {
3144	$expgui(fm).file.menu add command -label "expnam" -command readnewexp
3145	}
3146	$expgui(fm).file.menu add command -label "Save" -underline 0 \
3147	-command savearchiveexp
3148	foreach c {s S} {bind . <Alt-$c> [list savearchiveexp]}
3149	$expgui(fm).file.menu add command -label "Save As" \
3150	-command "SaveAsFile"
3151	$expgui(fm).file.menu add command -label "Reread .EXP file" \
3152	-command {rereadexp $expgui(expfile)}
3153
3154	#---- help menu button
3155	menubutton $expgui(fm).help -text Help -menu $expgui(fm).help.menu
3156	menu $expgui(fm).help.menu
3157	$expgui(fm).help.menu add command -command showhelp -underline 0 \
3158	-label "Help on Command"
3159	foreach c {h H} {bind . <Alt-$c> [list showhelp]}
3160	$expgui(fm).help.menu add command -label "About..." -command About
3161
3162	#---- options menu button
3163	menubutton $expgui(fm).option -text Options \
3164	-menu $expgui(fm).option.menu
3165	menu $expgui(fm).option.menu
3166
3167	if {$tcl_platform(platform) != "macintosh"} {
3168	$expgui(fm).option.menu add checkbutton -label "Archive EXP" \
3169	-variable expgui(archive)
3170	$expgui(fm).option.menu add checkbutton -label "Use DISAGL window" \
3171	-variable expgui(disaglSeparateBox)
3172	}
3173	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.asort \
3174	-label "Sort atoms by"
3175
3176	set expgui(asorttype) number
3177	menu $expgui(fm).option.menu.asort
3178	foreach opt {number type mult x y z occupancy} {
3179	$expgui(fm).option.menu.asort add radiobutton -command DisplayAllAtoms \
3180	-label $opt -value $opt -variable expgui(asorttype)
3181	}
3182
3183	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.hsort \
3184	-label "Sort histograms by"
3185
3186	set expgui(hsorttype) number
3187	menu $expgui(fm).option.menu.hsort
3188	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3189	-label number -value number -variable expgui(hsorttype)
3190	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3191	-label "Histogram type" -value type -variable expgui(hsorttype)
3192	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3193	-label "Bank #" -value bank -variable expgui(hsorttype)
3194	$expgui(fm).option.menu.hsort add radiobutton -command sethistlist \
3195	-label "Angle/Wavelength" -value angle -variable expgui(hsorttype)
3196
3197	#---- Global mode menu button
3198	$expgui(fm).option.menu add cascade -menu $expgui(fm).option.menu.editmode \
3199	-label "Multiple hist. selection"
3200	menu $expgui(fm).option.menu.editmode
3201	$expgui(fm).option.menu.editmode add radiobutton -label "Off" \
3202	-variable expgui(globalmode) -value 0 \
3203	-command sethistlist
3204	$expgui(fm).option.menu.editmode add radiobutton -label "All" \
3205	-variable expgui(globalmode) -value 6 \
3206	-command sethistlist
3207	$expgui(fm).option.menu.editmode add radiobutton -label "TOF" \
3208	-variable expgui(globalmode) -value 1 \
3209	-command sethistlist
3210	$expgui(fm).option.menu.editmode add radiobutton -label "CW Neutron" \
3211	-variable expgui(globalmode) -value 2 \
3212	-command sethistlist
3213	$expgui(fm).option.menu.editmode add radiobutton -label "Alpha12 Xray" \
3214	-variable expgui(globalmode) -value 3 \
3215	-command sethistlist
3216	$expgui(fm).option.menu.editmode add radiobutton -label "Monochromatic Xray" \
3217	-variable expgui(globalmode) -value 4 \
3218	-command sethistlist
3219	$expgui(fm).option.menu.editmode add radiobutton -label "Energy Disp Xray" \
3220	-variable expgui(globalmode) -value 5 \
3221	-command sethistlist
3222	$expgui(fm).option.menu.editmode add separator
3223	$expgui(fm).option.menu.editmode add checkbutton \
3224	-label "Group phases together" \
3225	-variable expgui(globalphasemode) \
3226	-command sethistlist
3227
3228	set expgui(globalmode) 0
3229	set expgui(globalphasemode) 1
3230
3231	if {$tcl_platform(platform) == "unix"} {
3232	$expgui(fm).option.menu add checkbutton -label "Override backspace" \
3233	-variable env(GSASBACKSPACE)
3234	$expgui(fm).option.menu add checkbutton -label "Autoload EXP" \
3235	-variable expgui(autoexpload)
3236	}
3237
3238	$expgui(fm).option.menu add command -label "Save Options" \
3239	-command "SaveOptions"
3240
3241	pack $expgui(fm).file $expgui(fm).option -side left -in $expgui(fm)
3242
3243	if {$tcl_platform(platform) != "macintosh"} {
3244	foreach menu $expgui(menunames) {
3245	set m [string tolower $menu]
3246	pack [menubutton $expgui(fm).$m -text $menu \
3247	-menu $expgui(fm).$m.menu] -side left
3248	menu $expgui(fm).$m.menu
3249	}
3250	}
3251	pack $expgui(fm).help -side right -in $expgui(fm)
3252
3253	if {$tcl_platform(platform) != "macintosh"} {
3254	# add the commands in expgui_menulist
3255	foreach menu [array names expgui_menulist ] {
3256	foreach cmd $expgui_menulist($menu) {
3257	set action {}
3258	set opt {}
3259	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3260	catch {set opt [lindex $expgui_cmdlist($cmd) 2]}
3261	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3262	if {$action != "" && $action != "-"} {
3263	eval $expgui(fm).$menu.menu add command \
3264	-label $cmd $opt -command [list [subst $action]]
3265	if {[lindex $opt 0] == "-underline"} {
3266	catch {
3267	set num [lindex $opt 1]
3268	set key [string range $cmd $num $num]
3269	bind . <Alt-[string tolower $key]> [subst $action]
3270	bind . <Alt-[string toupper $key]> [subst $action]
3271	}
3272	}
3273	}
3274	}
3275	}
3276	}
3277	# setup command help
3278	foreach cmd [array names expgui_cmdlist] {
3279	set help {}
3280	catch {set help [lindex $expgui_cmdlist($cmd) 1]}
3281	if {$help == ""} {
3282	if {$expgui(debug)} {puts "no help for $cmd"}
3283	} else {
3284	# remove
3285	regsub -all \x09 $help " " help
3286	# preserve blank lines
3287	regsub -all \x0A\x0A $help "AAA1234567890AAA" help
3288	regsub -all \x0A $help " " help
3289	regsub -all "AAA1234567890AAA" $help \x0A\x0A help
3290	regsub -all " +" $help " " help
3291	set expgui_helplist($cmd) [string trim $help]
3292	}
3293	}
3294	if {$tcl_platform(platform) != "macintosh"} {
3295	# set up button bar
3296	foreach cmd $expgui(buttonlist) {
3297	set action {}
3298	catch {set action [lindex $expgui_cmdlist($cmd) 0]}
3299	if {$expgui(debug) && $action == ""} {puts "blank command for $cmd"}
3300	if {$action != ""} {
3301	pack [eval button .bar.$cmd -bg beige -activebackground yellow \
3302	-text $cmd -command [list [subst $action]]] -side left
3303	}
3304	}
3305	}
3306
3307	$expgui(fm).file.menu add command -label "Exit" -underline 1 -command catchQuit
3308	foreach c {X x} {bind . <Alt-$c> [list catchQuit]}
3309	#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ END OF MENU DEFINITION ^^^^^^^^^^^^^^^^^^^
3310
3311	# make the phase pane
3312	MakePhasePane
3313	# and the rest of the windows w/o BWidget
3314	if !$expgui(haveBW) {
3315	MakeHistPane
3316	MakeScalingPane
3317	MakeProfilePane
3318	}
3319
3320	# handle indirect exits
3321	wm protocol . WM_DELETE_WINDOW catchQuit
3322	bind . <Control-c> catchQuit
3323
3324	set expgui(curPhase) ""
3325	set expgui(pagenow) ""
3326	set expgui(curhist) {}
3327	set expgui(selectedatomlist) {}
3328
3329	loadexp $expgui(expfile)
3330
3331	# select the 1st phase
3332	SelectOnePhase [lindex $expmap(phaselist) 0]
3333	# select the first histogram in the list by default (if there are any)
3334	if {[llength $expmap(histlistboxcontents)] > 0} {
3335	set expgui(curhist) 0
3336	} else {
3337	set expgui(curhist) {}
3338	}
3339
3340	# execute any local commands for final initialization
3341	eval $expgui(initstring)
3342
3343	# resize the notebook to fit all the tabs and the largest page
3344	ResizeNotebook
3345
3346	RaisePage lsFrame
3347	if {[CountHistory] > 100} {
3348	DeleteHistoryRecords "This .EXP file has [CountHistory] history records\nErasing most will speed EXPGUI"
3349	}

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